USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 947 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 67 ASN : amide:sc= -0.562 K(o=-0.31,f=-4!) USER MOD Set 1.2: A 110 GLN : amide:sc= 0.252 K(o=-0.31,f=-15!) USER MOD Set 2.1: A 12 GLN : amide:sc= 1.28 K(o=4.3,f=1.9) USER MOD Set 2.2: A 44 TYR OH : rot 146:sc= 0.6 USER MOD Set 2.3: A 104 TYR OH : rot -64:sc= 2.42 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 92:sc= 0.187 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 61:sc= 1.32 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 156:sc= 0.396 (180deg=-0.09!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 170:sc= 0.123 USER MOD Single : A 39 LYS NZ :NH3+ -145:sc= 0.843 (180deg=0.146) USER MOD Single : A 40 GLN : amide:sc= -0.667 K(o=-0.67,f=-0.061) USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 0.3 (180deg=0.26) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 0.973 (180deg=0.707) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0503 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.015) USER MOD Single : A 55 MET CE :methyl 165:sc= -0.0821 (180deg=-0.464) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= 1.18 K(o=1.2,f=-0.19) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 1.31 (180deg=1.18) USER MOD Single : A 77 GLN : amide:sc= -3.13! K(o=-3.1!,f=-0.055) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 155:sc= 0.336 (180deg=-0.17!) USER MOD Single : A 82 HIS : no HD1:sc= -0.0738 X(o=-0.074,f=-0.08) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.4) USER MOD Single : A 99 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.1) USER MOD Single : A 102 SER OG : rot 81:sc= 1.24 USER MOD Single : A 105 THR OG1 : rot -112:sc= 0.8 USER MOD Single : A 107 MET CE :methyl -110:sc=-0.00206 (180deg=-0.102) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0.502 K(o=0.5,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.659 16.936 1.929 1.00 0.00 N ATOM 2 CA MET A 1 0.135 16.773 0.577 1.00 0.00 C ATOM 3 C MET A 1 -1.079 15.887 0.600 1.00 0.00 C ATOM 4 O MET A 1 -1.034 14.786 1.118 1.00 0.00 O ATOM 5 CB MET A 1 1.182 16.166 -0.370 1.00 0.00 C ATOM 6 CG MET A 1 2.355 17.067 -0.692 1.00 0.00 C ATOM 7 SD MET A 1 3.527 16.295 -1.823 1.00 0.00 S ATOM 8 CE MET A 1 4.647 17.657 -2.119 1.00 0.00 C ATOM 0 H1 MET A 1 1.498 17.550 1.904 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.069 17.368 2.534 1.00 0.00 H new ATOM 0 H3 MET A 1 0.921 16.006 2.314 1.00 0.00 H new ATOM 0 HA MET A 1 -0.129 17.764 0.207 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.562 15.246 0.075 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.689 15.890 -1.302 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.987 17.994 -1.132 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.868 17.334 0.232 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.434 17.339 -2.803 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.099 18.490 -2.559 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.093 17.973 -1.176 1.00 0.00 H new ATOM 20 N ALA A 2 -2.161 16.380 0.067 1.00 0.00 N ATOM 21 CA ALA A 2 -3.375 15.622 -0.056 1.00 0.00 C ATOM 22 C ALA A 2 -4.050 15.998 -1.359 1.00 0.00 C ATOM 23 O ALA A 2 -4.691 17.055 -1.466 1.00 0.00 O ATOM 24 CB ALA A 2 -4.301 15.872 1.132 1.00 0.00 C ATOM 0 H ALA A 2 -2.226 17.330 -0.299 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.141 14.558 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.212 15.286 1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.798 15.578 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.555 16.931 1.179 1.00 0.00 H new ATOM 30 N GLU A 3 -3.843 15.186 -2.361 1.00 0.00 N ATOM 31 CA GLU A 3 -4.410 15.431 -3.665 1.00 0.00 C ATOM 32 C GLU A 3 -5.725 14.678 -3.760 1.00 0.00 C ATOM 33 O GLU A 3 -5.746 13.446 -3.708 1.00 0.00 O ATOM 34 CB GLU A 3 -3.447 14.965 -4.770 1.00 0.00 C ATOM 35 CG GLU A 3 -2.040 15.575 -4.700 1.00 0.00 C ATOM 36 CD GLU A 3 -2.011 17.086 -4.814 1.00 0.00 C ATOM 37 OE1 GLU A 3 -2.018 17.614 -5.946 1.00 0.00 O ATOM 38 OE2 GLU A 3 -1.928 17.776 -3.776 1.00 0.00 O ATOM 0 H GLU A 3 -3.279 14.338 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.579 16.499 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.360 13.880 -4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.884 15.207 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -1.577 15.284 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -1.432 15.150 -5.499 1.00 0.00 H new ATOM 45 N GLY A 4 -6.805 15.410 -3.866 1.00 0.00 N ATOM 46 CA GLY A 4 -8.123 14.824 -3.912 1.00 0.00 C ATOM 47 C GLY A 4 -8.461 14.254 -5.272 1.00 0.00 C ATOM 48 O GLY A 4 -9.228 14.848 -6.038 1.00 0.00 O ATOM 0 H GLY A 4 -6.797 16.428 -3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.191 14.034 -3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.862 15.580 -3.645 1.00 0.00 H new ATOM 52 N GLY A 5 -7.883 13.128 -5.575 1.00 0.00 N ATOM 53 CA GLY A 5 -8.149 12.462 -6.814 1.00 0.00 C ATOM 54 C GLY A 5 -8.146 10.986 -6.629 1.00 0.00 C ATOM 55 O GLY A 5 -7.388 10.267 -7.274 1.00 0.00 O ATOM 0 H GLY A 5 -7.216 12.648 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.115 12.783 -7.205 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.397 12.743 -7.552 1.00 0.00 H new ATOM 59 N ALA A 6 -8.983 10.526 -5.749 1.00 0.00 N ATOM 60 CA ALA A 6 -9.051 9.133 -5.449 1.00 0.00 C ATOM 61 C ALA A 6 -10.273 8.499 -6.026 1.00 0.00 C ATOM 62 O ALA A 6 -11.344 9.106 -6.096 1.00 0.00 O ATOM 63 CB ALA A 6 -8.982 8.903 -3.965 1.00 0.00 C ATOM 0 H ALA A 6 -9.635 11.106 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.187 8.658 -5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.036 7.834 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.043 9.300 -3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.817 9.408 -3.479 1.00 0.00 H new ATOM 69 N ALA A 7 -10.089 7.273 -6.436 1.00 0.00 N ATOM 70 CA ALA A 7 -11.124 6.452 -6.999 1.00 0.00 C ATOM 71 C ALA A 7 -12.151 6.074 -5.959 1.00 0.00 C ATOM 72 O ALA A 7 -11.971 6.323 -4.756 1.00 0.00 O ATOM 73 CB ALA A 7 -10.505 5.199 -7.519 1.00 0.00 C ATOM 0 H ALA A 7 -9.185 6.804 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.617 7.014 -7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.278 4.563 -7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.770 5.447 -8.285 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.014 4.670 -6.702 1.00 0.00 H new ATOM 79 N ASP A 8 -13.208 5.446 -6.415 1.00 0.00 N ATOM 80 CA ASP A 8 -14.253 4.991 -5.532 1.00 0.00 C ATOM 81 C ASP A 8 -13.785 3.787 -4.792 1.00 0.00 C ATOM 82 O ASP A 8 -13.030 3.035 -5.342 1.00 0.00 O ATOM 83 CB ASP A 8 -15.508 4.650 -6.289 1.00 0.00 C ATOM 84 CG ASP A 8 -16.660 4.390 -5.355 1.00 0.00 C ATOM 85 OD1 ASP A 8 -17.285 5.361 -4.889 1.00 0.00 O ATOM 86 OD2 ASP A 8 -16.918 3.216 -5.018 1.00 0.00 O ATOM 0 H ASP A 8 -13.367 5.238 -7.401 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.483 5.799 -4.838 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.762 5.468 -6.963 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.334 3.770 -6.908 1.00 0.00 H new ATOM 91 N LEU A 9 -14.262 3.584 -3.564 1.00 0.00 N ATOM 92 CA LEU A 9 -13.840 2.454 -2.692 1.00 0.00 C ATOM 93 C LEU A 9 -13.948 1.146 -3.411 1.00 0.00 C ATOM 94 O LEU A 9 -13.056 0.279 -3.323 1.00 0.00 O ATOM 95 CB LEU A 9 -14.736 2.366 -1.473 1.00 0.00 C ATOM 96 CG LEU A 9 -14.954 3.646 -0.708 1.00 0.00 C ATOM 97 CD1 LEU A 9 -15.639 3.344 0.563 1.00 0.00 C ATOM 98 CD2 LEU A 9 -13.660 4.322 -0.451 1.00 0.00 C ATOM 0 H LEU A 9 -14.956 4.194 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.805 2.643 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.708 1.988 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.314 1.628 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.575 4.318 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.798 4.268 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.601 2.875 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.025 2.666 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.835 5.245 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.016 3.665 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.176 4.554 -1.400 1.00 0.00 H new ATOM 110 N ASP A 10 -14.998 1.057 -4.184 1.00 0.00 N ATOM 111 CA ASP A 10 -15.332 -0.174 -4.928 1.00 0.00 C ATOM 112 C ASP A 10 -14.294 -0.409 -5.986 1.00 0.00 C ATOM 113 O ASP A 10 -13.831 -1.523 -6.219 1.00 0.00 O ATOM 114 CB ASP A 10 -16.716 -0.058 -5.576 1.00 0.00 C ATOM 115 CG ASP A 10 -17.063 -1.251 -6.443 1.00 0.00 C ATOM 116 OD1 ASP A 10 -17.594 -2.257 -5.917 1.00 0.00 O ATOM 117 OD2 ASP A 10 -16.808 -1.207 -7.681 1.00 0.00 O ATOM 0 H ASP A 10 -15.657 1.822 -4.329 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.349 -1.013 -4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.469 0.049 -4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.753 0.848 -6.181 1.00 0.00 H new ATOM 122 N THR A 11 -13.893 0.666 -6.560 1.00 0.00 N ATOM 123 CA THR A 11 -12.939 0.704 -7.557 1.00 0.00 C ATOM 124 C THR A 11 -11.541 0.466 -6.975 1.00 0.00 C ATOM 125 O THR A 11 -10.811 -0.389 -7.466 1.00 0.00 O ATOM 126 CB THR A 11 -13.041 2.079 -8.194 1.00 0.00 C ATOM 127 OG1 THR A 11 -14.213 2.182 -9.017 1.00 0.00 O ATOM 128 CG2 THR A 11 -11.805 2.475 -8.911 1.00 0.00 C ATOM 0 H THR A 11 -14.257 1.587 -6.317 1.00 0.00 H new ATOM 0 HA THR A 11 -13.106 -0.079 -8.297 1.00 0.00 H new ATOM 0 HB THR A 11 -13.148 2.800 -7.383 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.256 3.077 -9.414 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.938 3.466 -9.345 1.00 0.00 H new ATOM 0 HG22 THR A 11 -10.969 2.494 -8.212 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.598 1.756 -9.704 1.00 0.00 H new ATOM 136 N GLN A 12 -11.222 1.190 -5.890 1.00 0.00 N ATOM 137 CA GLN A 12 -9.898 1.172 -5.277 1.00 0.00 C ATOM 138 C GLN A 12 -9.475 -0.218 -4.994 1.00 0.00 C ATOM 139 O GLN A 12 -8.429 -0.661 -5.433 1.00 0.00 O ATOM 140 CB GLN A 12 -9.825 1.937 -3.946 1.00 0.00 C ATOM 141 CG GLN A 12 -10.512 3.296 -3.873 1.00 0.00 C ATOM 142 CD GLN A 12 -10.047 4.121 -2.690 1.00 0.00 C ATOM 143 OE1 GLN A 12 -10.605 4.057 -1.611 1.00 0.00 O ATOM 144 NE2 GLN A 12 -9.024 4.900 -2.888 1.00 0.00 N ATOM 0 H GLN A 12 -11.884 1.805 -5.416 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.245 1.660 -6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.253 1.302 -3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.773 2.079 -3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.319 3.847 -4.794 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.590 3.151 -3.809 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.577 4.932 -3.804 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.669 5.479 -2.127 1.00 0.00 H new ATOM 153 N ARG A 13 -10.298 -0.919 -4.286 1.00 0.00 N ATOM 154 CA ARG A 13 -9.948 -2.221 -3.896 1.00 0.00 C ATOM 155 C ARG A 13 -9.919 -3.209 -4.960 1.00 0.00 C ATOM 156 O ARG A 13 -9.112 -4.084 -4.905 1.00 0.00 O ATOM 157 CB ARG A 13 -10.702 -2.704 -2.747 1.00 0.00 C ATOM 158 CG ARG A 13 -10.278 -2.026 -1.536 1.00 0.00 C ATOM 159 CD ARG A 13 -8.741 -1.972 -1.369 1.00 0.00 C ATOM 160 NE ARG A 13 -7.981 -3.187 -1.745 1.00 0.00 N ATOM 161 CZ ARG A 13 -6.887 -3.627 -1.074 1.00 0.00 C ATOM 162 NH1 ARG A 13 -6.644 -3.192 0.166 1.00 0.00 N ATOM 163 NH2 ARG A 13 -6.104 -4.564 -1.603 1.00 0.00 N ATOM 0 H ARG A 13 -11.215 -0.601 -3.972 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.909 -2.104 -3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.767 -2.539 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.559 -3.779 -2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.672 -1.010 -1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.712 -2.532 -0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.365 -1.139 -1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.521 -1.744 -0.326 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.298 -3.722 -2.553 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.281 -2.529 0.608 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.822 -3.523 0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.325 -4.956 -2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.283 -4.890 -1.093 1.00 0.00 H new ATOM 177 N SER A 14 -10.745 -3.062 -5.918 1.00 0.00 N ATOM 178 CA SER A 14 -10.784 -3.992 -7.007 1.00 0.00 C ATOM 179 C SER A 14 -9.559 -3.813 -7.890 1.00 0.00 C ATOM 180 O SER A 14 -8.871 -4.782 -8.242 1.00 0.00 O ATOM 181 CB SER A 14 -12.029 -3.753 -7.812 1.00 0.00 C ATOM 182 OG SER A 14 -12.170 -4.693 -8.865 1.00 0.00 O ATOM 0 H SER A 14 -11.419 -2.299 -5.984 1.00 0.00 H new ATOM 0 HA SER A 14 -10.788 -5.009 -6.615 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.899 -3.808 -7.158 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.005 -2.745 -8.227 1.00 0.00 H new ATOM 0 HG SER A 14 -12.992 -4.505 -9.364 1.00 0.00 H new ATOM 188 N ASP A 15 -9.262 -2.569 -8.186 1.00 0.00 N ATOM 189 CA ASP A 15 -8.192 -2.212 -9.083 1.00 0.00 C ATOM 190 C ASP A 15 -6.858 -2.514 -8.407 1.00 0.00 C ATOM 191 O ASP A 15 -5.895 -2.917 -9.041 1.00 0.00 O ATOM 192 CB ASP A 15 -8.357 -0.729 -9.424 1.00 0.00 C ATOM 193 CG ASP A 15 -7.639 -0.275 -10.656 1.00 0.00 C ATOM 194 OD1 ASP A 15 -7.542 -1.042 -11.636 1.00 0.00 O ATOM 195 OD2 ASP A 15 -7.258 0.902 -10.718 1.00 0.00 O ATOM 0 H ASP A 15 -9.764 -1.767 -7.805 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.218 -2.787 -10.009 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.419 -0.516 -9.543 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.006 -0.137 -8.579 1.00 0.00 H new ATOM 200 N ILE A 16 -6.850 -2.387 -7.090 1.00 0.00 N ATOM 201 CA ILE A 16 -5.692 -2.703 -6.286 1.00 0.00 C ATOM 202 C ILE A 16 -5.566 -4.190 -6.022 1.00 0.00 C ATOM 203 O ILE A 16 -4.470 -4.730 -6.128 1.00 0.00 O ATOM 204 CB ILE A 16 -5.656 -1.896 -4.965 1.00 0.00 C ATOM 205 CG1 ILE A 16 -5.214 -0.429 -5.184 1.00 0.00 C ATOM 206 CG2 ILE A 16 -4.930 -2.593 -3.820 1.00 0.00 C ATOM 207 CD1 ILE A 16 -4.053 -0.228 -6.142 1.00 0.00 C ATOM 0 H ILE A 16 -7.652 -2.060 -6.551 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.825 -2.402 -6.873 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.690 -1.853 -4.624 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.069 0.137 -5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.943 -0.002 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.953 -1.958 -2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.422 -3.540 -3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.895 -2.780 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.827 0.835 -6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.177 -0.759 -5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.321 -0.616 -7.125 1.00 0.00 H new ATOM 219 N ALA A 17 -6.684 -4.861 -5.702 1.00 0.00 N ATOM 220 CA ALA A 17 -6.668 -6.323 -5.436 1.00 0.00 C ATOM 221 C ALA A 17 -6.069 -7.023 -6.620 1.00 0.00 C ATOM 222 O ALA A 17 -5.260 -7.931 -6.483 1.00 0.00 O ATOM 223 CB ALA A 17 -8.076 -6.851 -5.209 1.00 0.00 C ATOM 0 H ALA A 17 -7.604 -4.428 -5.620 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.079 -6.509 -4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.036 -7.923 -5.017 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.521 -6.345 -4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.682 -6.664 -6.095 1.00 0.00 H new ATOM 229 N THR A 18 -6.400 -6.490 -7.772 1.00 0.00 N ATOM 230 CA THR A 18 -5.989 -6.958 -9.031 1.00 0.00 C ATOM 231 C THR A 18 -4.458 -6.873 -9.216 1.00 0.00 C ATOM 232 O THR A 18 -3.833 -7.744 -9.827 1.00 0.00 O ATOM 233 CB THR A 18 -6.771 -6.146 -10.091 1.00 0.00 C ATOM 234 OG1 THR A 18 -8.066 -6.709 -10.369 1.00 0.00 O ATOM 235 CG2 THR A 18 -5.988 -5.818 -11.333 1.00 0.00 C ATOM 0 H THR A 18 -7.001 -5.668 -7.835 1.00 0.00 H new ATOM 0 HA THR A 18 -6.214 -8.019 -9.137 1.00 0.00 H new ATOM 0 HB THR A 18 -6.946 -5.175 -9.627 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.734 -6.300 -9.780 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.615 -5.248 -12.019 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.112 -5.226 -11.066 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.668 -6.741 -11.816 1.00 0.00 H new ATOM 243 N LEU A 19 -3.867 -5.887 -8.664 1.00 0.00 N ATOM 244 CA LEU A 19 -2.468 -5.690 -8.835 1.00 0.00 C ATOM 245 C LEU A 19 -1.649 -6.472 -7.826 1.00 0.00 C ATOM 246 O LEU A 19 -0.457 -6.658 -7.995 1.00 0.00 O ATOM 247 CB LEU A 19 -2.189 -4.215 -8.850 1.00 0.00 C ATOM 248 CG LEU A 19 -2.923 -3.495 -9.984 1.00 0.00 C ATOM 249 CD1 LEU A 19 -2.764 -2.022 -9.883 1.00 0.00 C ATOM 250 CD2 LEU A 19 -2.455 -3.984 -11.354 1.00 0.00 C ATOM 0 H LEU A 19 -4.330 -5.190 -8.080 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.150 -6.097 -9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.487 -3.782 -7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.116 -4.052 -8.954 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.981 -3.734 -9.880 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.297 -1.541 -10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.172 -1.676 -8.933 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.706 -1.766 -9.939 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.997 -3.451 -12.135 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.387 -3.797 -11.462 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.647 -5.053 -11.444 1.00 0.00 H new ATOM 262 N LEU A 20 -2.306 -6.962 -6.800 1.00 0.00 N ATOM 263 CA LEU A 20 -1.634 -7.767 -5.779 1.00 0.00 C ATOM 264 C LEU A 20 -1.562 -9.200 -6.248 1.00 0.00 C ATOM 265 O LEU A 20 -0.638 -9.941 -5.911 1.00 0.00 O ATOM 266 CB LEU A 20 -2.430 -7.736 -4.487 1.00 0.00 C ATOM 267 CG LEU A 20 -2.929 -6.378 -4.064 1.00 0.00 C ATOM 268 CD1 LEU A 20 -3.701 -6.481 -2.772 1.00 0.00 C ATOM 269 CD2 LEU A 20 -1.794 -5.372 -3.935 1.00 0.00 C ATOM 0 H LEU A 20 -3.304 -6.823 -6.641 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.636 -7.363 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.287 -8.402 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.808 -8.140 -3.688 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.597 -6.014 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.055 -5.492 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.554 -7.145 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.053 -6.880 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.197 -4.407 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.081 -5.722 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.290 -5.266 -4.896 1.00 0.00 H new ATOM 281 N LYS A 21 -2.527 -9.560 -7.063 1.00 0.00 N ATOM 282 CA LYS A 21 -2.683 -10.909 -7.538 1.00 0.00 C ATOM 283 C LYS A 21 -1.886 -11.132 -8.804 1.00 0.00 C ATOM 284 O LYS A 21 -1.545 -12.266 -9.162 1.00 0.00 O ATOM 285 CB LYS A 21 -4.150 -11.211 -7.732 1.00 0.00 C ATOM 286 CG LYS A 21 -4.894 -10.179 -8.478 1.00 0.00 C ATOM 287 CD LYS A 21 -6.326 -10.569 -8.586 1.00 0.00 C ATOM 288 CE LYS A 21 -6.520 -11.718 -9.543 1.00 0.00 C ATOM 289 NZ LYS A 21 -7.947 -12.002 -9.759 1.00 0.00 N ATOM 0 H LYS A 21 -3.232 -8.914 -7.417 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.289 -11.601 -6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.246 -12.161 -8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.614 -11.340 -6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.807 -9.218 -7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.465 -10.056 -9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.703 -10.848 -7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.912 -9.713 -8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.046 -11.484 -10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.026 -12.607 -9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.046 -12.797 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.393 -12.249 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.412 -11.161 -10.156 1.00 0.00 H new ATOM 303 N THR A 22 -1.623 -10.045 -9.482 1.00 0.00 N ATOM 304 CA THR A 22 -0.797 -9.977 -10.615 1.00 0.00 C ATOM 305 C THR A 22 0.607 -10.495 -10.308 1.00 0.00 C ATOM 306 O THR A 22 1.154 -10.295 -9.220 1.00 0.00 O ATOM 307 CB THR A 22 -0.798 -8.520 -11.082 1.00 0.00 C ATOM 308 OG1 THR A 22 -2.053 -8.217 -11.716 1.00 0.00 O ATOM 309 CG2 THR A 22 0.328 -8.227 -11.984 1.00 0.00 C ATOM 0 H THR A 22 -2.014 -9.139 -9.225 1.00 0.00 H new ATOM 0 HA THR A 22 -1.172 -10.618 -11.413 1.00 0.00 H new ATOM 0 HB THR A 22 -0.673 -7.884 -10.205 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.782 -8.337 -11.072 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.287 -7.182 -12.290 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.268 -8.417 -11.466 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.264 -8.866 -12.865 1.00 0.00 H new ATOM 317 N SER A 23 1.134 -11.178 -11.263 1.00 0.00 N ATOM 318 CA SER A 23 2.383 -11.811 -11.168 1.00 0.00 C ATOM 319 C SER A 23 3.527 -10.878 -11.556 1.00 0.00 C ATOM 320 O SER A 23 3.314 -9.763 -12.068 1.00 0.00 O ATOM 321 CB SER A 23 2.343 -12.986 -12.090 1.00 0.00 C ATOM 322 OG SER A 23 1.352 -13.925 -11.684 1.00 0.00 O ATOM 0 H SER A 23 0.679 -11.311 -12.166 1.00 0.00 H new ATOM 0 HA SER A 23 2.567 -12.114 -10.137 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.134 -12.648 -13.105 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.320 -13.470 -12.110 1.00 0.00 H new ATOM 0 HG SER A 23 1.346 -14.683 -12.305 1.00 0.00 H new ATOM 328 N LEU A 24 4.721 -11.329 -11.301 1.00 0.00 N ATOM 329 CA LEU A 24 5.897 -10.627 -11.626 1.00 0.00 C ATOM 330 C LEU A 24 6.725 -11.293 -12.698 1.00 0.00 C ATOM 331 O LEU A 24 6.518 -12.452 -13.040 1.00 0.00 O ATOM 332 CB LEU A 24 6.710 -10.339 -10.387 1.00 0.00 C ATOM 333 CG LEU A 24 6.847 -11.428 -9.334 1.00 0.00 C ATOM 334 CD1 LEU A 24 7.538 -12.625 -9.895 1.00 0.00 C ATOM 335 CD2 LEU A 24 7.598 -10.880 -8.156 1.00 0.00 C ATOM 0 H LEU A 24 4.893 -12.226 -10.846 1.00 0.00 H new ATOM 0 HA LEU A 24 5.578 -9.678 -12.058 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.714 -10.061 -10.708 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.276 -9.464 -9.903 1.00 0.00 H new ATOM 0 HG LEU A 24 5.855 -11.744 -9.012 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.624 -13.390 -9.124 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.962 -13.018 -10.733 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.533 -12.343 -10.239 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.700 -11.655 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.587 -10.553 -8.476 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.053 -10.033 -7.739 1.00 0.00 H new ATOM 347 N ARG A 25 7.619 -10.526 -13.242 1.00 0.00 N ATOM 348 CA ARG A 25 8.567 -10.983 -14.226 1.00 0.00 C ATOM 349 C ARG A 25 9.907 -11.124 -13.557 1.00 0.00 C ATOM 350 O ARG A 25 9.992 -11.217 -12.343 1.00 0.00 O ATOM 351 CB ARG A 25 8.697 -9.956 -15.363 1.00 0.00 C ATOM 352 CG ARG A 25 7.412 -9.604 -16.053 1.00 0.00 C ATOM 353 CD ARG A 25 6.656 -10.836 -16.428 1.00 0.00 C ATOM 354 NE ARG A 25 5.437 -10.522 -17.160 1.00 0.00 N ATOM 355 CZ ARG A 25 4.548 -11.419 -17.600 1.00 0.00 C ATOM 356 NH1 ARG A 25 4.683 -12.706 -17.301 1.00 0.00 N ATOM 357 NH2 ARG A 25 3.510 -11.019 -18.311 1.00 0.00 N ATOM 0 H ARG A 25 7.717 -9.537 -13.011 1.00 0.00 H new ATOM 0 HA ARG A 25 8.229 -11.933 -14.640 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.136 -9.044 -14.959 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.395 -10.345 -16.105 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.801 -8.982 -15.398 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.623 -9.016 -16.946 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.290 -11.480 -17.038 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.405 -11.396 -15.527 1.00 0.00 H new ATOM 0 HE ARG A 25 5.246 -9.539 -17.353 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.470 -13.017 -16.731 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.000 -13.383 -17.641 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.388 -10.029 -18.523 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.830 -11.700 -18.648 1.00 0.00 H new ATOM 371 N LYS A 26 10.947 -11.123 -14.340 1.00 0.00 N ATOM 372 CA LYS A 26 12.270 -11.157 -13.826 1.00 0.00 C ATOM 373 C LYS A 26 12.885 -9.778 -14.093 1.00 0.00 C ATOM 374 O LYS A 26 14.105 -9.576 -14.065 1.00 0.00 O ATOM 375 CB LYS A 26 13.034 -12.268 -14.528 1.00 0.00 C ATOM 376 CG LYS A 26 14.320 -12.659 -13.860 1.00 0.00 C ATOM 377 CD LYS A 26 15.075 -13.733 -14.648 1.00 0.00 C ATOM 378 CE LYS A 26 14.233 -14.995 -14.887 1.00 0.00 C ATOM 379 NZ LYS A 26 13.777 -15.623 -13.634 1.00 0.00 N ATOM 0 H LYS A 26 10.892 -11.098 -15.358 1.00 0.00 H new ATOM 0 HA LYS A 26 12.300 -11.363 -12.756 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.392 -13.147 -14.595 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.251 -11.953 -15.549 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.953 -11.779 -13.750 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.109 -13.028 -12.856 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.386 -13.322 -15.608 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.982 -14.004 -14.108 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.366 -14.738 -15.496 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.820 -15.715 -15.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.923 -16.186 -13.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.526 -16.242 -13.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.560 -14.885 -12.935 1.00 0.00 H new ATOM 393 N GLY A 27 12.004 -8.830 -14.336 1.00 0.00 N ATOM 394 CA GLY A 27 12.404 -7.484 -14.588 1.00 0.00 C ATOM 395 C GLY A 27 11.317 -6.476 -14.271 1.00 0.00 C ATOM 396 O GLY A 27 11.252 -5.438 -14.903 1.00 0.00 O ATOM 0 H GLY A 27 10.996 -8.982 -14.362 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.289 -7.256 -13.993 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.690 -7.385 -15.635 1.00 0.00 H new ATOM 400 N ASP A 28 10.445 -6.776 -13.308 1.00 0.00 N ATOM 401 CA ASP A 28 9.423 -5.773 -12.919 1.00 0.00 C ATOM 402 C ASP A 28 9.906 -4.998 -11.732 1.00 0.00 C ATOM 403 O ASP A 28 10.687 -5.512 -10.917 1.00 0.00 O ATOM 404 CB ASP A 28 8.050 -6.349 -12.507 1.00 0.00 C ATOM 405 CG ASP A 28 7.190 -6.936 -13.574 1.00 0.00 C ATOM 406 OD1 ASP A 28 6.949 -6.293 -14.610 1.00 0.00 O ATOM 407 OD2 ASP A 28 6.654 -8.031 -13.341 1.00 0.00 O ATOM 0 H ASP A 28 10.413 -7.658 -12.797 1.00 0.00 H new ATOM 0 HA ASP A 28 9.285 -5.173 -13.819 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.223 -7.119 -11.755 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.485 -5.552 -12.023 1.00 0.00 H new ATOM 412 N THR A 29 9.431 -3.808 -11.609 1.00 0.00 N ATOM 413 CA THR A 29 9.706 -2.992 -10.478 1.00 0.00 C ATOM 414 C THR A 29 8.458 -2.961 -9.595 1.00 0.00 C ATOM 415 O THR A 29 7.340 -2.723 -10.074 1.00 0.00 O ATOM 416 CB THR A 29 10.098 -1.570 -10.919 1.00 0.00 C ATOM 417 OG1 THR A 29 11.295 -1.642 -11.726 1.00 0.00 O ATOM 418 CG2 THR A 29 10.331 -0.661 -9.717 1.00 0.00 C ATOM 0 H THR A 29 8.829 -3.366 -12.304 1.00 0.00 H new ATOM 0 HA THR A 29 10.545 -3.403 -9.917 1.00 0.00 H new ATOM 0 HB THR A 29 9.280 -1.145 -11.501 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.551 -0.741 -12.013 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.606 0.336 -10.062 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.418 -0.600 -9.124 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.135 -1.067 -9.104 1.00 0.00 H new ATOM 426 N TRP A 30 8.652 -3.234 -8.342 1.00 0.00 N ATOM 427 CA TRP A 30 7.591 -3.274 -7.385 1.00 0.00 C ATOM 428 C TRP A 30 7.831 -2.197 -6.371 1.00 0.00 C ATOM 429 O TRP A 30 8.962 -1.959 -5.971 1.00 0.00 O ATOM 430 CB TRP A 30 7.494 -4.654 -6.719 1.00 0.00 C ATOM 431 CG TRP A 30 6.987 -5.744 -7.635 1.00 0.00 C ATOM 432 CD1 TRP A 30 7.628 -6.279 -8.707 1.00 0.00 C ATOM 433 CD2 TRP A 30 5.730 -6.444 -7.537 1.00 0.00 C ATOM 434 NE1 TRP A 30 6.846 -7.238 -9.294 1.00 0.00 N ATOM 435 CE2 TRP A 30 5.679 -7.361 -8.592 1.00 0.00 C ATOM 436 CE3 TRP A 30 4.651 -6.374 -6.668 1.00 0.00 C ATOM 437 CZ2 TRP A 30 4.580 -8.209 -8.795 1.00 0.00 C ATOM 438 CZ3 TRP A 30 3.568 -7.206 -6.868 1.00 0.00 C ATOM 439 CH2 TRP A 30 3.542 -8.113 -7.925 1.00 0.00 C ATOM 0 H TRP A 30 9.570 -3.439 -7.949 1.00 0.00 H new ATOM 0 HA TRP A 30 6.638 -3.101 -7.886 1.00 0.00 H new ATOM 0 HB2 TRP A 30 8.479 -4.936 -6.346 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.834 -4.583 -5.855 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.612 -5.990 -9.047 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.095 -7.776 -10.124 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.658 -5.676 -5.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.560 -8.913 -9.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.726 -7.153 -6.193 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.681 -8.751 -8.055 1.00 0.00 H new ATOM 450 N TYR A 31 6.807 -1.540 -5.988 1.00 0.00 N ATOM 451 CA TYR A 31 6.920 -0.432 -5.087 1.00 0.00 C ATOM 452 C TYR A 31 6.466 -0.798 -3.723 1.00 0.00 C ATOM 453 O TYR A 31 5.504 -1.566 -3.566 1.00 0.00 O ATOM 454 CB TYR A 31 6.138 0.746 -5.604 1.00 0.00 C ATOM 455 CG TYR A 31 6.761 1.383 -6.829 1.00 0.00 C ATOM 456 CD1 TYR A 31 6.573 0.857 -8.099 1.00 0.00 C ATOM 457 CD2 TYR A 31 7.553 2.514 -6.705 1.00 0.00 C ATOM 458 CE1 TYR A 31 7.156 1.439 -9.203 1.00 0.00 C ATOM 459 CE2 TYR A 31 8.139 3.100 -7.804 1.00 0.00 C ATOM 460 CZ TYR A 31 7.937 2.559 -9.049 1.00 0.00 C ATOM 461 OH TYR A 31 8.522 3.139 -10.150 1.00 0.00 O ATOM 0 H TYR A 31 5.853 -1.747 -6.285 1.00 0.00 H new ATOM 0 HA TYR A 31 7.973 -0.155 -5.025 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.125 0.424 -5.845 1.00 0.00 H new ATOM 0 HB3 TYR A 31 6.056 1.494 -4.815 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.960 -0.023 -8.224 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.713 2.944 -5.727 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.000 1.017 -10.185 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.754 3.980 -7.687 1.00 0.00 H new ATOM 0 HH TYR A 31 9.041 3.922 -9.870 1.00 0.00 H new ATOM 471 N LEU A 32 7.168 -0.281 -2.744 1.00 0.00 N ATOM 472 CA LEU A 32 6.837 -0.545 -1.366 1.00 0.00 C ATOM 473 C LEU A 32 5.872 0.458 -0.834 1.00 0.00 C ATOM 474 O LEU A 32 5.985 1.656 -1.071 1.00 0.00 O ATOM 475 CB LEU A 32 8.046 -0.591 -0.406 1.00 0.00 C ATOM 476 CG LEU A 32 9.077 -1.714 -0.552 1.00 0.00 C ATOM 477 CD1 LEU A 32 9.836 -1.566 -1.816 1.00 0.00 C ATOM 478 CD2 LEU A 32 10.023 -1.687 0.614 1.00 0.00 C ATOM 0 H LEU A 32 7.976 0.328 -2.878 1.00 0.00 H new ATOM 0 HA LEU A 32 6.397 -1.542 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.577 0.356 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.655 -0.635 0.611 1.00 0.00 H new ATOM 0 HG LEU A 32 8.551 -2.669 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.563 -2.374 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.148 -1.607 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.356 -0.608 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.755 -2.487 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.537 -0.726 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.464 -1.828 1.539 1.00 0.00 H new ATOM 490 N VAL A 33 4.949 -0.064 -0.135 1.00 0.00 N ATOM 491 CA VAL A 33 3.970 0.673 0.633 1.00 0.00 C ATOM 492 C VAL A 33 4.153 0.191 2.024 1.00 0.00 C ATOM 493 O VAL A 33 4.416 -0.990 2.201 1.00 0.00 O ATOM 494 CB VAL A 33 2.498 0.313 0.226 1.00 0.00 C ATOM 495 CG1 VAL A 33 1.473 0.989 1.120 1.00 0.00 C ATOM 496 CG2 VAL A 33 2.209 0.680 -1.176 1.00 0.00 C ATOM 0 H VAL A 33 4.828 -1.074 -0.063 1.00 0.00 H new ATOM 0 HA VAL A 33 4.109 1.744 0.485 1.00 0.00 H new ATOM 0 HB VAL A 33 2.419 -0.768 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.470 0.709 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.625 0.673 2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.588 2.071 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.180 0.414 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.346 1.753 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.887 0.144 -1.840 1.00 0.00 H new ATOM 506 N ASP A 34 4.078 1.044 2.998 1.00 0.00 N ATOM 507 CA ASP A 34 4.085 0.552 4.338 1.00 0.00 C ATOM 508 C ASP A 34 2.759 -0.157 4.534 1.00 0.00 C ATOM 509 O ASP A 34 1.683 0.389 4.241 1.00 0.00 O ATOM 510 CB ASP A 34 4.324 1.659 5.392 1.00 0.00 C ATOM 511 CG ASP A 34 3.172 2.603 5.588 1.00 0.00 C ATOM 512 OD1 ASP A 34 2.952 3.465 4.742 1.00 0.00 O ATOM 513 OD2 ASP A 34 2.494 2.514 6.643 1.00 0.00 O ATOM 0 H ASP A 34 4.013 2.057 2.896 1.00 0.00 H new ATOM 0 HA ASP A 34 4.921 -0.132 4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.555 1.188 6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.202 2.235 5.100 1.00 0.00 H new ATOM 518 N SER A 35 2.818 -1.380 4.982 1.00 0.00 N ATOM 519 CA SER A 35 1.638 -2.218 5.058 1.00 0.00 C ATOM 520 C SER A 35 0.677 -1.697 6.085 1.00 0.00 C ATOM 521 O SER A 35 -0.500 -1.980 6.053 1.00 0.00 O ATOM 522 CB SER A 35 2.064 -3.605 5.424 1.00 0.00 C ATOM 523 OG SER A 35 2.774 -3.604 6.647 1.00 0.00 O ATOM 0 H SER A 35 3.676 -1.828 5.304 1.00 0.00 H new ATOM 0 HA SER A 35 1.133 -2.217 4.092 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.189 -4.250 5.506 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.691 -4.018 4.634 1.00 0.00 H new ATOM 0 HG SER A 35 2.901 -4.527 6.952 1.00 0.00 H new ATOM 529 N ARG A 36 1.210 -0.899 6.939 1.00 0.00 N ATOM 530 CA ARG A 36 0.541 -0.310 8.052 1.00 0.00 C ATOM 531 C ARG A 36 -0.561 0.608 7.519 1.00 0.00 C ATOM 532 O ARG A 36 -1.725 0.507 7.928 1.00 0.00 O ATOM 533 CB ARG A 36 1.588 0.482 8.809 1.00 0.00 C ATOM 534 CG ARG A 36 2.878 -0.311 9.004 1.00 0.00 C ATOM 535 CD ARG A 36 4.039 0.596 9.240 1.00 0.00 C ATOM 536 NE ARG A 36 5.325 -0.106 9.143 1.00 0.00 N ATOM 537 CZ ARG A 36 6.493 0.425 9.490 1.00 0.00 C ATOM 538 NH1 ARG A 36 6.525 1.562 10.191 1.00 0.00 N ATOM 539 NH2 ARG A 36 7.629 -0.189 9.178 1.00 0.00 N ATOM 0 H ARG A 36 2.189 -0.619 6.878 1.00 0.00 H new ATOM 0 HA ARG A 36 0.082 -1.050 8.708 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.807 1.402 8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.190 0.771 9.782 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.766 -0.990 9.849 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.067 -0.926 8.124 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.016 1.408 8.514 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.948 1.049 10.227 1.00 0.00 H new ATOM 0 HE ARG A 36 5.322 -1.062 8.787 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.654 2.021 10.459 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.420 1.971 10.458 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.608 -1.073 8.669 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.522 0.223 9.447 1.00 0.00 H new ATOM 553 N TRP A 37 -0.174 1.437 6.553 1.00 0.00 N ATOM 554 CA TRP A 37 -1.053 2.368 5.862 1.00 0.00 C ATOM 555 C TRP A 37 -2.100 1.578 5.100 1.00 0.00 C ATOM 556 O TRP A 37 -3.291 1.842 5.185 1.00 0.00 O ATOM 557 CB TRP A 37 -0.190 3.195 4.876 1.00 0.00 C ATOM 558 CG TRP A 37 -0.910 4.203 4.031 1.00 0.00 C ATOM 559 CD1 TRP A 37 -1.070 5.541 4.277 1.00 0.00 C ATOM 560 CD2 TRP A 37 -1.535 3.946 2.774 1.00 0.00 C ATOM 561 NE1 TRP A 37 -1.800 6.111 3.251 1.00 0.00 N ATOM 562 CE2 TRP A 37 -2.092 5.148 2.323 1.00 0.00 C ATOM 563 CE3 TRP A 37 -1.684 2.799 1.999 1.00 0.00 C ATOM 564 CZ2 TRP A 37 -2.793 5.230 1.123 1.00 0.00 C ATOM 565 CZ3 TRP A 37 -2.366 2.872 0.827 1.00 0.00 C ATOM 566 CH2 TRP A 37 -2.921 4.079 0.388 1.00 0.00 C ATOM 0 H TRP A 37 0.790 1.478 6.222 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.553 3.033 6.566 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.576 3.717 5.450 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.326 2.502 4.212 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.686 6.068 5.138 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.077 7.091 3.194 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.261 1.861 2.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.219 6.163 0.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.482 1.984 0.224 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.460 4.105 -0.547 1.00 0.00 H new ATOM 577 N PHE A 38 -1.629 0.592 4.380 1.00 0.00 N ATOM 578 CA PHE A 38 -2.452 -0.244 3.547 1.00 0.00 C ATOM 579 C PHE A 38 -3.500 -1.015 4.375 1.00 0.00 C ATOM 580 O PHE A 38 -4.636 -1.175 3.944 1.00 0.00 O ATOM 581 CB PHE A 38 -1.550 -1.188 2.787 1.00 0.00 C ATOM 582 CG PHE A 38 -2.176 -1.832 1.583 1.00 0.00 C ATOM 583 CD1 PHE A 38 -2.910 -3.001 1.695 1.00 0.00 C ATOM 584 CD2 PHE A 38 -1.990 -1.281 0.328 1.00 0.00 C ATOM 585 CE1 PHE A 38 -3.443 -3.603 0.583 1.00 0.00 C ATOM 586 CE2 PHE A 38 -2.529 -1.875 -0.788 1.00 0.00 C ATOM 587 CZ PHE A 38 -3.252 -3.039 -0.661 1.00 0.00 C ATOM 0 H PHE A 38 -0.640 0.343 4.357 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.011 0.377 2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.663 -0.641 2.468 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.214 -1.972 3.466 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.065 -3.444 2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.414 -0.373 0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.011 -4.516 0.682 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.386 -1.430 -1.761 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.671 -3.512 -1.537 1.00 0.00 H new ATOM 597 N LYS A 39 -3.112 -1.507 5.547 1.00 0.00 N ATOM 598 CA LYS A 39 -4.046 -2.171 6.451 1.00 0.00 C ATOM 599 C LYS A 39 -5.081 -1.207 7.009 1.00 0.00 C ATOM 600 O LYS A 39 -6.239 -1.573 7.198 1.00 0.00 O ATOM 601 CB LYS A 39 -3.296 -2.902 7.546 1.00 0.00 C ATOM 602 CG LYS A 39 -2.500 -4.059 6.992 1.00 0.00 C ATOM 603 CD LYS A 39 -1.584 -4.685 8.006 1.00 0.00 C ATOM 604 CE LYS A 39 -0.727 -5.724 7.324 1.00 0.00 C ATOM 605 NZ LYS A 39 0.198 -6.415 8.240 1.00 0.00 N ATOM 0 H LYS A 39 -2.154 -1.458 5.894 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.601 -2.912 5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.627 -2.209 8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.003 -3.268 8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.187 -4.817 6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.910 -3.713 6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.955 -3.922 8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.166 -5.144 8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.373 -6.462 6.848 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.152 -5.246 6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.086 -6.627 7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.397 -5.805 9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.235 -7.302 8.567 1.00 0.00 H new ATOM 619 N GLN A 40 -4.677 0.020 7.231 1.00 0.00 N ATOM 620 CA GLN A 40 -5.555 1.057 7.654 1.00 0.00 C ATOM 621 C GLN A 40 -6.565 1.343 6.538 1.00 0.00 C ATOM 622 O GLN A 40 -7.777 1.499 6.783 1.00 0.00 O ATOM 623 CB GLN A 40 -4.689 2.265 7.911 1.00 0.00 C ATOM 624 CG GLN A 40 -5.403 3.481 8.343 1.00 0.00 C ATOM 625 CD GLN A 40 -6.076 3.288 9.675 1.00 0.00 C ATOM 626 OE1 GLN A 40 -5.491 3.547 10.725 1.00 0.00 O ATOM 627 NE2 GLN A 40 -7.292 2.819 9.649 1.00 0.00 N ATOM 0 H GLN A 40 -3.709 0.320 7.118 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.112 0.786 8.550 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.954 2.007 8.673 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.137 2.494 7.000 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.700 4.312 8.407 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.148 3.751 7.595 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.742 2.617 8.756 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.794 2.654 10.522 1.00 0.00 H new ATOM 636 N TRP A 41 -6.045 1.370 5.335 1.00 0.00 N ATOM 637 CA TRP A 41 -6.789 1.614 4.131 1.00 0.00 C ATOM 638 C TRP A 41 -7.773 0.466 3.880 1.00 0.00 C ATOM 639 O TRP A 41 -8.889 0.695 3.468 1.00 0.00 O ATOM 640 CB TRP A 41 -5.776 1.810 2.983 1.00 0.00 C ATOM 641 CG TRP A 41 -6.339 2.125 1.637 1.00 0.00 C ATOM 642 CD1 TRP A 41 -6.958 3.270 1.222 1.00 0.00 C ATOM 643 CD2 TRP A 41 -6.269 1.286 0.514 1.00 0.00 C ATOM 644 NE1 TRP A 41 -7.303 3.159 -0.098 1.00 0.00 N ATOM 645 CE2 TRP A 41 -6.884 1.944 -0.557 1.00 0.00 C ATOM 646 CE3 TRP A 41 -5.753 0.032 0.321 1.00 0.00 C ATOM 647 CZ2 TRP A 41 -6.990 1.366 -1.815 1.00 0.00 C ATOM 648 CZ3 TRP A 41 -5.853 -0.535 -0.904 1.00 0.00 C ATOM 649 CH2 TRP A 41 -6.470 0.117 -1.974 1.00 0.00 C ATOM 0 H TRP A 41 -5.051 1.216 5.165 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.395 2.516 4.210 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.096 2.614 3.264 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.179 0.902 2.898 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.147 4.134 1.843 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.792 3.866 -0.647 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.274 -0.496 1.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.465 1.885 -2.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.443 -1.522 -1.059 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.535 -0.373 -2.934 1.00 0.00 H new ATOM 660 N LYS A 42 -7.345 -0.764 4.181 1.00 0.00 N ATOM 661 CA LYS A 42 -8.189 -1.965 4.100 1.00 0.00 C ATOM 662 C LYS A 42 -9.483 -1.839 4.881 1.00 0.00 C ATOM 663 O LYS A 42 -10.543 -2.194 4.357 1.00 0.00 O ATOM 664 CB LYS A 42 -7.407 -3.169 4.563 1.00 0.00 C ATOM 665 CG LYS A 42 -6.632 -3.869 3.463 1.00 0.00 C ATOM 666 CD LYS A 42 -5.397 -4.570 3.992 1.00 0.00 C ATOM 667 CE LYS A 42 -5.632 -5.362 5.274 1.00 0.00 C ATOM 668 NZ LYS A 42 -6.472 -6.562 5.111 1.00 0.00 N ATOM 0 H LYS A 42 -6.393 -0.958 4.491 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.474 -2.086 3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.710 -2.858 5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.095 -3.882 5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.278 -4.596 2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.339 -3.141 2.707 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.019 -5.245 3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.620 -3.827 4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.667 -5.663 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.098 -4.706 6.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.469 -7.111 5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.446 -6.276 4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.095 -7.147 4.339 1.00 0.00 H new ATOM 682 N LYS A 43 -9.410 -1.337 6.112 1.00 0.00 N ATOM 683 CA LYS A 43 -10.625 -1.144 6.911 1.00 0.00 C ATOM 684 C LYS A 43 -11.494 -0.099 6.259 1.00 0.00 C ATOM 685 O LYS A 43 -12.697 -0.283 6.095 1.00 0.00 O ATOM 686 CB LYS A 43 -10.291 -0.659 8.307 1.00 0.00 C ATOM 687 CG LYS A 43 -9.274 -1.483 9.015 1.00 0.00 C ATOM 688 CD LYS A 43 -8.900 -0.811 10.285 1.00 0.00 C ATOM 689 CE LYS A 43 -8.038 -1.686 11.151 1.00 0.00 C ATOM 690 NZ LYS A 43 -8.742 -2.919 11.572 1.00 0.00 N ATOM 0 H LYS A 43 -8.543 -1.061 6.573 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.139 -2.103 6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.931 0.368 8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.205 -0.641 8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.672 -2.477 9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.393 -1.615 8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.369 0.115 10.063 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.803 -0.538 10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.132 -1.954 10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.726 -1.128 12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.165 -3.426 12.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.659 -2.668 11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.897 -3.530 10.745 1.00 0.00 H new ATOM 704 N TYR A 44 -10.846 0.984 5.876 1.00 0.00 N ATOM 705 CA TYR A 44 -11.459 2.128 5.239 1.00 0.00 C ATOM 706 C TYR A 44 -12.254 1.771 3.960 1.00 0.00 C ATOM 707 O TYR A 44 -13.254 2.399 3.658 1.00 0.00 O ATOM 708 CB TYR A 44 -10.354 3.172 4.984 1.00 0.00 C ATOM 709 CG TYR A 44 -10.580 4.097 3.835 1.00 0.00 C ATOM 710 CD1 TYR A 44 -11.412 5.208 3.914 1.00 0.00 C ATOM 711 CD2 TYR A 44 -9.941 3.843 2.654 1.00 0.00 C ATOM 712 CE1 TYR A 44 -11.584 6.028 2.806 1.00 0.00 C ATOM 713 CE2 TYR A 44 -10.099 4.633 1.575 1.00 0.00 C ATOM 714 CZ TYR A 44 -10.909 5.715 1.633 1.00 0.00 C ATOM 715 OH TYR A 44 -11.041 6.489 0.504 1.00 0.00 O ATOM 0 H TYR A 44 -9.840 1.093 6.006 1.00 0.00 H new ATOM 0 HA TYR A 44 -12.216 2.544 5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.231 3.770 5.887 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.414 2.645 4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.925 5.434 4.837 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.290 2.984 2.584 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.230 6.892 2.856 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.576 4.402 0.659 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.192 6.500 0.014 1.00 0.00 H new ATOM 725 N VAL A 45 -11.809 0.784 3.235 1.00 0.00 N ATOM 726 CA VAL A 45 -12.487 0.375 1.992 1.00 0.00 C ATOM 727 C VAL A 45 -13.328 -0.867 2.143 1.00 0.00 C ATOM 728 O VAL A 45 -14.076 -1.215 1.231 1.00 0.00 O ATOM 729 CB VAL A 45 -11.507 0.072 0.870 1.00 0.00 C ATOM 730 CG1 VAL A 45 -10.910 1.296 0.279 1.00 0.00 C ATOM 731 CG2 VAL A 45 -10.416 -0.818 1.367 1.00 0.00 C ATOM 0 H VAL A 45 -10.981 0.235 3.465 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.116 1.233 1.755 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.076 -0.427 0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.219 1.016 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.700 1.925 -0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.372 1.847 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.720 -1.029 0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.885 -0.324 2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.845 -1.753 1.728 1.00 0.00 H new ATOM 741 N GLY A 46 -13.179 -1.556 3.243 1.00 0.00 N ATOM 742 CA GLY A 46 -13.865 -2.783 3.408 1.00 0.00 C ATOM 743 C GLY A 46 -13.286 -3.865 2.528 1.00 0.00 C ATOM 744 O GLY A 46 -14.024 -4.581 1.845 1.00 0.00 O ATOM 0 H GLY A 46 -12.589 -1.280 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.811 -3.094 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.920 -2.646 3.171 1.00 0.00 H new ATOM 748 N PHE A 47 -11.958 -3.935 2.475 1.00 0.00 N ATOM 749 CA PHE A 47 -11.281 -4.971 1.734 1.00 0.00 C ATOM 750 C PHE A 47 -11.545 -6.314 2.399 1.00 0.00 C ATOM 751 O PHE A 47 -11.877 -7.298 1.739 1.00 0.00 O ATOM 752 CB PHE A 47 -9.775 -4.676 1.682 1.00 0.00 C ATOM 753 CG PHE A 47 -8.974 -5.670 0.881 1.00 0.00 C ATOM 754 CD1 PHE A 47 -9.068 -5.687 -0.494 1.00 0.00 C ATOM 755 CD2 PHE A 47 -8.141 -6.581 1.500 1.00 0.00 C ATOM 756 CE1 PHE A 47 -8.353 -6.588 -1.258 1.00 0.00 C ATOM 757 CE2 PHE A 47 -7.408 -7.494 0.745 1.00 0.00 C ATOM 758 CZ PHE A 47 -7.522 -7.496 -0.644 1.00 0.00 C ATOM 0 H PHE A 47 -11.335 -3.277 2.943 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.658 -5.002 0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.626 -3.682 1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.387 -4.651 2.700 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.717 -4.978 -0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.057 -6.586 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.446 -6.580 -2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.753 -8.199 1.235 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.962 -8.206 -1.234 1.00 0.00 H new ATOM 768 N ASP A 48 -11.426 -6.324 3.704 1.00 0.00 N ATOM 769 CA ASP A 48 -11.649 -7.518 4.504 1.00 0.00 C ATOM 770 C ASP A 48 -13.123 -7.663 4.765 1.00 0.00 C ATOM 771 O ASP A 48 -13.853 -6.682 4.762 1.00 0.00 O ATOM 772 CB ASP A 48 -10.906 -7.429 5.844 1.00 0.00 C ATOM 773 CG ASP A 48 -9.436 -7.204 5.673 1.00 0.00 C ATOM 774 OD1 ASP A 48 -9.017 -6.025 5.507 1.00 0.00 O ATOM 775 OD2 ASP A 48 -8.658 -8.170 5.680 1.00 0.00 O ATOM 0 H ASP A 48 -11.170 -5.502 4.251 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.271 -8.381 3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.328 -6.617 6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.066 -8.349 6.406 1.00 0.00 H new ATOM 780 N SER A 49 -13.561 -8.865 4.983 1.00 0.00 N ATOM 781 CA SER A 49 -14.955 -9.128 5.229 1.00 0.00 C ATOM 782 C SER A 49 -15.321 -8.927 6.690 1.00 0.00 C ATOM 783 O SER A 49 -16.284 -8.239 7.016 1.00 0.00 O ATOM 784 CB SER A 49 -15.266 -10.535 4.793 1.00 0.00 C ATOM 785 OG SER A 49 -14.238 -11.435 5.216 1.00 0.00 O ATOM 0 H SER A 49 -12.967 -9.694 4.996 1.00 0.00 H new ATOM 0 HA SER A 49 -15.551 -8.418 4.655 1.00 0.00 H new ATOM 0 HB2 SER A 49 -16.223 -10.847 5.210 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.364 -10.571 3.708 1.00 0.00 H new ATOM 0 HG SER A 49 -14.459 -12.344 4.925 1.00 0.00 H new ATOM 791 N TRP A 50 -14.528 -9.512 7.561 1.00 0.00 N ATOM 792 CA TRP A 50 -14.765 -9.463 8.998 1.00 0.00 C ATOM 793 C TRP A 50 -14.433 -8.084 9.553 1.00 0.00 C ATOM 794 O TRP A 50 -14.848 -7.721 10.656 1.00 0.00 O ATOM 795 CB TRP A 50 -13.912 -10.542 9.713 1.00 0.00 C ATOM 796 CG TRP A 50 -12.416 -10.338 9.572 1.00 0.00 C ATOM 797 CD1 TRP A 50 -11.606 -9.631 10.414 1.00 0.00 C ATOM 798 CD2 TRP A 50 -11.563 -10.843 8.531 1.00 0.00 C ATOM 799 NE1 TRP A 50 -10.319 -9.642 9.951 1.00 0.00 N ATOM 800 CE2 TRP A 50 -10.260 -10.384 8.804 1.00 0.00 C ATOM 801 CE3 TRP A 50 -11.774 -11.629 7.398 1.00 0.00 C ATOM 802 CZ2 TRP A 50 -9.177 -10.686 7.987 1.00 0.00 C ATOM 803 CZ3 TRP A 50 -10.695 -11.931 6.587 1.00 0.00 C ATOM 804 CH2 TRP A 50 -9.414 -11.460 6.886 1.00 0.00 C ATOM 0 H TRP A 50 -13.695 -10.039 7.297 1.00 0.00 H new ATOM 0 HA TRP A 50 -15.821 -9.662 9.180 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -14.169 -10.551 10.772 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -14.174 -11.522 9.313 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -11.934 -9.135 11.315 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.529 -9.171 10.392 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -12.762 -11.995 7.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -8.186 -10.323 8.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -10.845 -12.541 5.708 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.593 -11.713 6.232 1.00 0.00 H new ATOM 815 N ASP A 51 -13.704 -7.318 8.787 1.00 0.00 N ATOM 816 CA ASP A 51 -13.227 -6.028 9.257 1.00 0.00 C ATOM 817 C ASP A 51 -13.408 -4.987 8.229 1.00 0.00 C ATOM 818 O ASP A 51 -12.547 -4.747 7.390 1.00 0.00 O ATOM 819 CB ASP A 51 -11.788 -6.115 9.803 1.00 0.00 C ATOM 820 CG ASP A 51 -11.196 -4.801 10.291 1.00 0.00 C ATOM 821 OD1 ASP A 51 -11.785 -4.145 11.193 1.00 0.00 O ATOM 822 OD2 ASP A 51 -10.090 -4.431 9.833 1.00 0.00 O ATOM 0 H ASP A 51 -13.423 -7.556 7.836 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.841 -5.725 10.105 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.772 -6.829 10.626 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.144 -6.516 9.020 1.00 0.00 H new ATOM 827 N LYS A 52 -14.587 -4.406 8.263 1.00 0.00 N ATOM 828 CA LYS A 52 -14.953 -3.430 7.285 1.00 0.00 C ATOM 829 C LYS A 52 -16.049 -2.518 7.772 1.00 0.00 C ATOM 830 O LYS A 52 -16.663 -1.782 7.013 1.00 0.00 O ATOM 831 CB LYS A 52 -15.371 -4.140 6.078 1.00 0.00 C ATOM 832 CG LYS A 52 -16.649 -4.912 6.174 1.00 0.00 C ATOM 833 CD LYS A 52 -16.855 -5.541 4.862 1.00 0.00 C ATOM 834 CE LYS A 52 -18.147 -6.332 4.777 1.00 0.00 C ATOM 835 NZ LYS A 52 -18.304 -7.003 3.469 1.00 0.00 N ATOM 0 H LYS A 52 -15.304 -4.599 8.963 1.00 0.00 H new ATOM 0 HA LYS A 52 -14.094 -2.791 7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.469 -3.414 5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.576 -4.829 5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.590 -5.665 6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.482 -4.255 6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.857 -4.769 4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.016 -6.203 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.168 -7.078 5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.992 -5.664 4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.200 -7.531 3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.311 -6.290 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.512 -7.660 3.319 1.00 0.00 H new ATOM 849 N TYR A 53 -16.254 -2.546 9.047 1.00 0.00 N ATOM 850 CA TYR A 53 -17.185 -1.625 9.733 1.00 0.00 C ATOM 851 C TYR A 53 -16.695 -0.177 9.604 1.00 0.00 C ATOM 852 O TYR A 53 -17.400 0.772 9.926 1.00 0.00 O ATOM 853 CB TYR A 53 -17.279 -1.971 11.219 1.00 0.00 C ATOM 854 CG TYR A 53 -17.943 -3.291 11.532 1.00 0.00 C ATOM 855 CD1 TYR A 53 -17.238 -4.489 11.501 1.00 0.00 C ATOM 856 CD2 TYR A 53 -19.281 -3.331 11.883 1.00 0.00 C ATOM 857 CE1 TYR A 53 -17.852 -5.685 11.809 1.00 0.00 C ATOM 858 CE2 TYR A 53 -19.903 -4.520 12.186 1.00 0.00 C ATOM 859 CZ TYR A 53 -19.187 -5.694 12.150 1.00 0.00 C ATOM 860 OH TYR A 53 -19.808 -6.886 12.464 1.00 0.00 O ATOM 0 H TYR A 53 -15.790 -3.204 9.674 1.00 0.00 H new ATOM 0 HA TYR A 53 -18.164 -1.729 9.265 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -16.273 -1.981 11.638 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -17.828 -1.177 11.726 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -16.192 -4.483 11.231 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -19.847 -2.412 11.920 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -17.291 -6.607 11.783 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -20.950 -4.532 12.451 1.00 0.00 H new ATOM 0 HH TYR A 53 -20.748 -6.717 12.683 1.00 0.00 H new ATOM 870 N GLN A 54 -15.493 -0.053 9.119 1.00 0.00 N ATOM 871 CA GLN A 54 -14.798 1.158 8.967 1.00 0.00 C ATOM 872 C GLN A 54 -14.858 1.639 7.516 1.00 0.00 C ATOM 873 O GLN A 54 -14.227 2.622 7.160 1.00 0.00 O ATOM 874 CB GLN A 54 -13.383 0.853 9.276 1.00 0.00 C ATOM 875 CG GLN A 54 -13.189 0.150 10.598 1.00 0.00 C ATOM 876 CD GLN A 54 -13.486 1.015 11.782 1.00 0.00 C ATOM 877 OE1 GLN A 54 -14.610 1.092 12.264 1.00 0.00 O ATOM 878 NE2 GLN A 54 -12.470 1.659 12.260 1.00 0.00 N ATOM 0 H GLN A 54 -14.952 -0.858 8.804 1.00 0.00 H new ATOM 0 HA GLN A 54 -15.228 1.926 9.610 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.972 0.232 8.480 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.813 1.782 9.281 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.831 -0.730 10.630 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.160 -0.204 10.665 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.553 1.562 11.823 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.586 2.263 13.073 1.00 0.00 H new ATOM 887 N MET A 55 -15.577 0.916 6.676 1.00 0.00 N ATOM 888 CA MET A 55 -15.655 1.208 5.282 1.00 0.00 C ATOM 889 C MET A 55 -16.332 2.541 5.022 1.00 0.00 C ATOM 890 O MET A 55 -17.548 2.697 5.227 1.00 0.00 O ATOM 891 CB MET A 55 -16.347 0.072 4.547 1.00 0.00 C ATOM 892 CG MET A 55 -16.529 0.337 3.092 1.00 0.00 C ATOM 893 SD MET A 55 -17.209 -1.071 2.180 1.00 0.00 S ATOM 894 CE MET A 55 -18.749 -1.360 3.053 1.00 0.00 C ATOM 0 H MET A 55 -16.124 0.103 6.960 1.00 0.00 H new ATOM 0 HA MET A 55 -14.640 1.296 4.896 1.00 0.00 H new ATOM 0 HB2 MET A 55 -15.765 -0.841 4.673 1.00 0.00 H new ATOM 0 HB3 MET A 55 -17.322 -0.106 5.002 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.191 1.194 2.967 1.00 0.00 H new ATOM 0 HG3 MET A 55 -15.567 0.611 2.658 1.00 0.00 H new ATOM 0 HE1 MET A 55 -19.391 -2.007 2.455 1.00 0.00 H new ATOM 0 HE2 MET A 55 -18.541 -1.840 4.009 1.00 0.00 H new ATOM 0 HE3 MET A 55 -19.253 -0.409 3.226 1.00 0.00 H new ATOM 904 N GLY A 56 -15.524 3.485 4.596 1.00 0.00 N ATOM 905 CA GLY A 56 -15.955 4.822 4.332 1.00 0.00 C ATOM 906 C GLY A 56 -15.839 5.701 5.558 1.00 0.00 C ATOM 907 O GLY A 56 -16.172 6.888 5.506 1.00 0.00 O ATOM 0 H GLY A 56 -14.530 3.333 4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.357 5.244 3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -16.990 4.810 3.990 1.00 0.00 H new ATOM 911 N ASP A 57 -15.325 5.142 6.654 1.00 0.00 N ATOM 912 CA ASP A 57 -15.216 5.890 7.908 1.00 0.00 C ATOM 913 C ASP A 57 -14.033 6.837 7.822 1.00 0.00 C ATOM 914 O ASP A 57 -13.070 6.592 7.084 1.00 0.00 O ATOM 915 CB ASP A 57 -15.025 4.973 9.138 1.00 0.00 C ATOM 916 CG ASP A 57 -15.524 5.637 10.409 1.00 0.00 C ATOM 917 OD1 ASP A 57 -14.914 6.617 10.852 1.00 0.00 O ATOM 918 OD2 ASP A 57 -16.548 5.190 10.981 1.00 0.00 O ATOM 0 H ASP A 57 -14.980 4.183 6.700 1.00 0.00 H new ATOM 0 HA ASP A 57 -16.152 6.432 8.041 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.560 4.036 8.981 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.970 4.723 9.247 1.00 0.00 H new ATOM 923 N GLN A 58 -14.108 7.909 8.540 1.00 0.00 N ATOM 924 CA GLN A 58 -13.061 8.897 8.559 1.00 0.00 C ATOM 925 C GLN A 58 -11.993 8.492 9.547 1.00 0.00 C ATOM 926 O GLN A 58 -10.840 8.845 9.417 1.00 0.00 O ATOM 927 CB GLN A 58 -13.617 10.257 8.894 1.00 0.00 C ATOM 928 CG GLN A 58 -14.248 10.349 10.276 1.00 0.00 C ATOM 929 CD GLN A 58 -14.826 11.706 10.563 1.00 0.00 C ATOM 930 OE1 GLN A 58 -16.000 11.964 10.301 1.00 0.00 O ATOM 931 NE2 GLN A 58 -14.021 12.585 11.077 1.00 0.00 N ATOM 0 H GLN A 58 -14.903 8.133 9.139 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.614 8.957 7.567 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -12.816 10.992 8.823 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.364 10.526 8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.034 9.599 10.362 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.497 10.112 11.030 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.054 12.333 11.280 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -14.356 13.527 11.277 1.00 0.00 H new ATOM 940 N ASN A 59 -12.393 7.686 10.513 1.00 0.00 N ATOM 941 CA ASN A 59 -11.508 7.200 11.573 1.00 0.00 C ATOM 942 C ASN A 59 -10.369 6.394 11.028 1.00 0.00 C ATOM 943 O ASN A 59 -9.337 6.218 11.674 1.00 0.00 O ATOM 944 CB ASN A 59 -12.284 6.324 12.549 1.00 0.00 C ATOM 945 CG ASN A 59 -13.053 7.091 13.601 1.00 0.00 C ATOM 946 OD1 ASN A 59 -12.530 7.404 14.674 1.00 0.00 O ATOM 947 ND2 ASN A 59 -14.287 7.380 13.325 1.00 0.00 N ATOM 0 H ASN A 59 -13.350 7.343 10.591 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.110 8.080 12.077 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.982 5.704 11.986 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.587 5.649 13.046 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.858 7.882 14.005 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.687 7.106 12.428 1.00 0.00 H new ATOM 954 N VAL A 60 -10.558 5.903 9.852 1.00 0.00 N ATOM 955 CA VAL A 60 -9.629 5.002 9.239 1.00 0.00 C ATOM 956 C VAL A 60 -9.077 5.537 7.973 1.00 0.00 C ATOM 957 O VAL A 60 -8.330 4.842 7.310 1.00 0.00 O ATOM 958 CB VAL A 60 -10.323 3.690 8.923 1.00 0.00 C ATOM 959 CG1 VAL A 60 -10.746 3.087 10.166 1.00 0.00 C ATOM 960 CG2 VAL A 60 -11.556 3.961 8.166 1.00 0.00 C ATOM 0 H VAL A 60 -11.373 6.116 9.276 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.812 4.862 9.947 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.641 3.051 8.362 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.248 2.142 9.960 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.876 2.906 10.797 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.434 3.758 10.680 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.057 3.020 7.937 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.218 4.589 8.762 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.307 4.475 7.237 1.00 0.00 H new ATOM 970 N TYR A 61 -9.464 6.743 7.625 1.00 0.00 N ATOM 971 CA TYR A 61 -9.007 7.317 6.367 1.00 0.00 C ATOM 972 C TYR A 61 -7.485 7.538 6.397 1.00 0.00 C ATOM 973 O TYR A 61 -6.967 8.283 7.242 1.00 0.00 O ATOM 974 CB TYR A 61 -9.807 8.600 5.921 1.00 0.00 C ATOM 975 CG TYR A 61 -9.220 9.967 6.274 1.00 0.00 C ATOM 976 CD1 TYR A 61 -8.318 10.596 5.416 1.00 0.00 C ATOM 977 CD2 TYR A 61 -9.572 10.626 7.434 1.00 0.00 C ATOM 978 CE1 TYR A 61 -7.788 11.835 5.719 1.00 0.00 C ATOM 979 CE2 TYR A 61 -9.047 11.861 7.743 1.00 0.00 C ATOM 980 CZ TYR A 61 -8.158 12.461 6.886 1.00 0.00 C ATOM 981 OH TYR A 61 -7.634 13.708 7.203 1.00 0.00 O ATOM 0 H TYR A 61 -10.080 7.339 8.177 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.225 6.586 5.588 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.930 8.558 4.839 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.804 8.541 6.358 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.029 10.105 4.498 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.273 10.164 8.113 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.089 12.308 5.045 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.334 12.357 8.658 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.000 14.008 8.061 1.00 0.00 H new ATOM 991 N PRO A 62 -6.744 6.821 5.557 1.00 0.00 N ATOM 992 CA PRO A 62 -5.338 6.983 5.452 1.00 0.00 C ATOM 993 C PRO A 62 -5.024 8.025 4.413 1.00 0.00 C ATOM 994 O PRO A 62 -5.353 7.869 3.237 1.00 0.00 O ATOM 995 CB PRO A 62 -4.834 5.619 4.999 1.00 0.00 C ATOM 996 CG PRO A 62 -6.034 4.883 4.524 1.00 0.00 C ATOM 997 CD PRO A 62 -7.214 5.798 4.646 1.00 0.00 C ATOM 0 HA PRO A 62 -4.877 7.307 6.385 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.096 5.719 4.203 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.349 5.089 5.819 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.902 4.566 3.489 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.188 3.981 5.117 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.500 6.218 3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.088 5.279 5.039 1.00 0.00 H new ATOM 1005 N GLY A 63 -4.493 9.098 4.868 1.00 0.00 N ATOM 1006 CA GLY A 63 -4.070 10.182 3.987 1.00 0.00 C ATOM 1007 C GLY A 63 -2.825 9.829 3.144 1.00 0.00 C ATOM 1008 O GLY A 63 -2.701 8.694 2.668 1.00 0.00 O ATOM 0 H GLY A 63 -4.328 9.274 5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.892 10.441 3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.856 11.067 4.587 1.00 0.00 H new ATOM 1012 N PRO A 64 -1.879 10.776 2.956 1.00 0.00 N ATOM 1013 CA PRO A 64 -0.676 10.547 2.136 1.00 0.00 C ATOM 1014 C PRO A 64 0.134 9.344 2.602 1.00 0.00 C ATOM 1015 O PRO A 64 0.206 9.042 3.815 1.00 0.00 O ATOM 1016 CB PRO A 64 0.148 11.830 2.295 1.00 0.00 C ATOM 1017 CG PRO A 64 -0.450 12.536 3.469 1.00 0.00 C ATOM 1018 CD PRO A 64 -1.893 12.134 3.512 1.00 0.00 C ATOM 0 HA PRO A 64 -0.947 10.330 1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.200 11.604 2.466 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.096 12.445 1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.059 12.256 4.391 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.350 13.616 3.365 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.285 12.149 4.529 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.516 12.805 2.920 1.00 0.00 H new ATOM 1026 N ILE A 65 0.721 8.658 1.654 1.00 0.00 N ATOM 1027 CA ILE A 65 1.497 7.482 1.935 1.00 0.00 C ATOM 1028 C ILE A 65 2.810 7.871 2.586 1.00 0.00 C ATOM 1029 O ILE A 65 3.626 8.582 1.975 1.00 0.00 O ATOM 1030 CB ILE A 65 1.814 6.707 0.648 1.00 0.00 C ATOM 1031 CG1 ILE A 65 0.528 6.393 -0.118 1.00 0.00 C ATOM 1032 CG2 ILE A 65 2.552 5.427 1.007 1.00 0.00 C ATOM 1033 CD1 ILE A 65 0.765 5.825 -1.495 1.00 0.00 C ATOM 0 H ILE A 65 0.673 8.902 0.665 1.00 0.00 H new ATOM 0 HA ILE A 65 0.909 6.852 2.603 1.00 0.00 H new ATOM 0 HB ILE A 65 2.446 7.317 0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.065 5.684 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.063 7.305 -0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.780 4.871 0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.479 5.674 1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.926 4.816 1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.193 5.628 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.331 6.541 -2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.328 4.895 -1.413 1.00 0.00 H new ATOM 1045 N ASP A 66 3.008 7.437 3.804 1.00 0.00 N ATOM 1046 CA ASP A 66 4.237 7.718 4.507 1.00 0.00 C ATOM 1047 C ASP A 66 4.996 6.457 4.809 1.00 0.00 C ATOM 1048 O ASP A 66 4.674 5.708 5.736 1.00 0.00 O ATOM 1049 CB ASP A 66 4.008 8.515 5.783 1.00 0.00 C ATOM 1050 CG ASP A 66 5.296 8.717 6.560 1.00 0.00 C ATOM 1051 OD1 ASP A 66 6.361 8.840 5.928 1.00 0.00 O ATOM 1052 OD2 ASP A 66 5.265 8.715 7.822 1.00 0.00 O ATOM 0 H ASP A 66 2.332 6.885 4.333 1.00 0.00 H new ATOM 0 HA ASP A 66 4.838 8.335 3.839 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.578 9.485 5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.283 7.997 6.410 1.00 0.00 H new ATOM 1057 N ASN A 67 6.021 6.251 4.063 1.00 0.00 N ATOM 1058 CA ASN A 67 6.838 5.086 4.195 1.00 0.00 C ATOM 1059 C ASN A 67 8.000 5.342 5.120 1.00 0.00 C ATOM 1060 O ASN A 67 8.864 4.476 5.271 1.00 0.00 O ATOM 1061 CB ASN A 67 7.359 4.621 2.836 1.00 0.00 C ATOM 1062 CG ASN A 67 6.265 4.229 1.865 1.00 0.00 C ATOM 1063 OD1 ASN A 67 5.827 3.098 1.838 1.00 0.00 O ATOM 1064 ND2 ASN A 67 5.839 5.154 1.044 1.00 0.00 N ATOM 0 H ASN A 67 6.325 6.893 3.331 1.00 0.00 H new ATOM 0 HA ASN A 67 6.214 4.300 4.620 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.956 5.418 2.394 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.023 3.770 2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.119 4.933 0.356 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.227 6.096 1.091 1.00 0.00 H new ATOM 1071 N SER A 68 8.042 6.517 5.758 1.00 0.00 N ATOM 1072 CA SER A 68 9.098 6.802 6.703 1.00 0.00 C ATOM 1073 C SER A 68 8.836 5.973 7.967 1.00 0.00 C ATOM 1074 O SER A 68 8.153 6.390 8.902 1.00 0.00 O ATOM 1075 CB SER A 68 9.210 8.310 6.998 1.00 0.00 C ATOM 1076 OG SER A 68 10.371 8.618 7.766 1.00 0.00 O ATOM 0 H SER A 68 7.363 7.268 5.632 1.00 0.00 H new ATOM 0 HA SER A 68 10.063 6.521 6.282 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.239 8.862 6.059 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.321 8.642 7.535 1.00 0.00 H new ATOM 0 HG SER A 68 10.407 9.583 7.931 1.00 0.00 H new ATOM 1082 N GLY A 69 9.286 4.763 7.884 1.00 0.00 N ATOM 1083 CA GLY A 69 9.108 3.761 8.874 1.00 0.00 C ATOM 1084 C GLY A 69 9.540 2.437 8.296 1.00 0.00 C ATOM 1085 O GLY A 69 9.825 1.484 9.031 1.00 0.00 O ATOM 0 H GLY A 69 9.816 4.433 7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.695 3.997 9.762 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.064 3.716 9.185 1.00 0.00 H new ATOM 1089 N LEU A 70 9.568 2.361 6.945 1.00 0.00 N ATOM 1090 CA LEU A 70 10.140 1.202 6.251 1.00 0.00 C ATOM 1091 C LEU A 70 11.580 1.528 6.099 1.00 0.00 C ATOM 1092 O LEU A 70 12.471 0.680 6.018 1.00 0.00 O ATOM 1093 CB LEU A 70 9.541 1.054 4.863 1.00 0.00 C ATOM 1094 CG LEU A 70 8.045 0.903 4.788 1.00 0.00 C ATOM 1095 CD1 LEU A 70 7.626 0.732 3.351 1.00 0.00 C ATOM 1096 CD2 LEU A 70 7.595 -0.262 5.635 1.00 0.00 C ATOM 0 H LEU A 70 9.203 3.085 6.326 1.00 0.00 H new ATOM 0 HA LEU A 70 9.952 0.279 6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.825 1.926 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.996 0.185 4.386 1.00 0.00 H new ATOM 0 HG LEU A 70 7.568 1.801 5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.543 0.623 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.931 1.607 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.101 -0.157 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.511 -0.360 5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.064 -1.177 5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.884 -0.091 6.672 1.00 0.00 H new ATOM 1108 N LEU A 71 11.753 2.796 6.014 1.00 0.00 N ATOM 1109 CA LEU A 71 12.963 3.459 5.999 1.00 0.00 C ATOM 1110 C LEU A 71 13.486 3.463 7.421 1.00 0.00 C ATOM 1111 O LEU A 71 12.706 3.318 8.367 1.00 0.00 O ATOM 1112 CB LEU A 71 12.697 4.875 5.504 1.00 0.00 C ATOM 1113 CG LEU A 71 12.346 5.093 4.005 1.00 0.00 C ATOM 1114 CD1 LEU A 71 13.531 4.875 3.116 1.00 0.00 C ATOM 1115 CD2 LEU A 71 11.233 4.229 3.488 1.00 0.00 C ATOM 0 H LEU A 71 10.963 3.438 5.948 1.00 0.00 H new ATOM 0 HA LEU A 71 13.699 2.988 5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.878 5.283 6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.581 5.473 5.726 1.00 0.00 H new ATOM 0 HG LEU A 71 12.014 6.131 3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.242 5.037 2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.322 5.575 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.893 3.854 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.059 4.451 2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.506 3.179 3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.324 4.428 4.056 1.00 0.00 H new ATOM 1127 N LYS A 72 14.763 3.604 7.562 1.00 0.00 N ATOM 1128 CA LYS A 72 15.442 3.518 8.836 1.00 0.00 C ATOM 1129 C LYS A 72 15.049 4.612 9.824 1.00 0.00 C ATOM 1130 O LYS A 72 14.215 5.492 9.530 1.00 0.00 O ATOM 1131 CB LYS A 72 16.930 3.474 8.595 1.00 0.00 C ATOM 1132 CG LYS A 72 17.261 2.417 7.589 1.00 0.00 C ATOM 1133 CD LYS A 72 18.715 2.252 7.335 1.00 0.00 C ATOM 1134 CE LYS A 72 19.378 1.457 8.416 1.00 0.00 C ATOM 1135 NZ LYS A 72 20.688 0.944 7.974 1.00 0.00 N ATOM 0 H LYS A 72 15.390 3.788 6.779 1.00 0.00 H new ATOM 0 HA LYS A 72 15.122 2.596 9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.277 4.445 8.241 1.00 0.00 H new ATOM 0 HB3 LYS A 72 17.451 3.271 9.531 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.853 1.466 7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.764 2.658 6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.863 1.756 6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.186 3.233 7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.508 2.080 9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.737 0.624 8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.147 0.440 8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.554 0.291 7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.289 1.738 7.674 1.00 0.00 H new ATOM 1149 N ASP A 73 15.706 4.584 10.967 1.00 0.00 N ATOM 1150 CA ASP A 73 15.325 5.413 12.132 1.00 0.00 C ATOM 1151 C ASP A 73 15.418 6.879 11.898 1.00 0.00 C ATOM 1152 O ASP A 73 14.748 7.662 12.578 1.00 0.00 O ATOM 1153 CB ASP A 73 16.071 5.025 13.416 1.00 0.00 C ATOM 1154 CG ASP A 73 17.572 5.237 13.359 1.00 0.00 C ATOM 1155 OD1 ASP A 73 18.044 6.374 13.577 1.00 0.00 O ATOM 1156 OD2 ASP A 73 18.307 4.249 13.141 1.00 0.00 O ATOM 0 H ASP A 73 16.520 3.992 11.131 1.00 0.00 H new ATOM 0 HA ASP A 73 14.268 5.187 12.274 1.00 0.00 H new ATOM 0 HB2 ASP A 73 15.666 5.604 14.246 1.00 0.00 H new ATOM 0 HB3 ASP A 73 15.873 3.975 13.633 1.00 0.00 H new ATOM 1161 N GLY A 74 16.207 7.265 10.984 1.00 0.00 N ATOM 1162 CA GLY A 74 16.335 8.639 10.725 1.00 0.00 C ATOM 1163 C GLY A 74 16.655 8.897 9.305 1.00 0.00 C ATOM 1164 O GLY A 74 17.460 9.765 8.992 1.00 0.00 O ATOM 0 H GLY A 74 16.776 6.652 10.400 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.407 9.147 10.988 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.118 9.058 11.357 1.00 0.00 H new ATOM 1168 N ASP A 75 16.031 8.141 8.436 1.00 0.00 N ATOM 1169 CA ASP A 75 16.256 8.283 7.016 1.00 0.00 C ATOM 1170 C ASP A 75 14.987 8.095 6.269 1.00 0.00 C ATOM 1171 O ASP A 75 14.093 7.387 6.723 1.00 0.00 O ATOM 1172 CB ASP A 75 17.292 7.289 6.470 1.00 0.00 C ATOM 1173 CG ASP A 75 18.707 7.572 6.905 1.00 0.00 C ATOM 1174 OD1 ASP A 75 19.329 8.512 6.373 1.00 0.00 O ATOM 1175 OD2 ASP A 75 19.227 6.850 7.788 1.00 0.00 O ATOM 0 H ASP A 75 15.359 7.416 8.688 1.00 0.00 H new ATOM 0 HA ASP A 75 16.645 9.291 6.872 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.019 6.284 6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.250 7.298 5.381 1.00 0.00 H new ATOM 1180 N ALA A 76 14.911 8.723 5.133 1.00 0.00 N ATOM 1181 CA ALA A 76 13.775 8.608 4.248 1.00 0.00 C ATOM 1182 C ALA A 76 14.216 8.044 2.929 1.00 0.00 C ATOM 1183 O ALA A 76 13.412 7.858 2.015 1.00 0.00 O ATOM 1184 CB ALA A 76 13.204 9.949 4.004 1.00 0.00 C ATOM 0 H ALA A 76 15.644 9.340 4.784 1.00 0.00 H new ATOM 0 HA ALA A 76 13.034 7.955 4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.347 9.863 3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.885 10.386 4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.959 10.588 3.545 1.00 0.00 H new ATOM 1190 N GLN A 77 15.497 7.803 2.802 1.00 0.00 N ATOM 1191 CA GLN A 77 16.025 7.257 1.570 1.00 0.00 C ATOM 1192 C GLN A 77 16.626 5.903 1.819 1.00 0.00 C ATOM 1193 O GLN A 77 16.861 5.119 0.898 1.00 0.00 O ATOM 1194 CB GLN A 77 17.075 8.172 1.039 1.00 0.00 C ATOM 1195 CG GLN A 77 16.685 9.634 1.057 1.00 0.00 C ATOM 1196 CD GLN A 77 15.623 10.112 0.086 1.00 0.00 C ATOM 1197 OE1 GLN A 77 15.688 11.244 -0.374 1.00 0.00 O ATOM 1198 NE2 GLN A 77 14.613 9.369 -0.148 1.00 0.00 N ATOM 0 H GLN A 77 16.192 7.974 3.529 1.00 0.00 H new ATOM 0 HA GLN A 77 15.215 7.159 0.847 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.985 8.042 1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 77 17.311 7.882 0.015 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.345 9.874 2.064 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.586 10.220 0.877 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.571 8.427 0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.847 9.717 -0.725 1.00 0.00 H new ATOM 1207 N SER A 78 16.823 5.616 3.070 1.00 0.00 N ATOM 1208 CA SER A 78 17.492 4.384 3.476 1.00 0.00 C ATOM 1209 C SER A 78 16.502 3.409 4.094 1.00 0.00 C ATOM 1210 O SER A 78 15.861 3.738 5.079 1.00 0.00 O ATOM 1211 CB SER A 78 18.585 4.697 4.481 1.00 0.00 C ATOM 1212 OG SER A 78 19.494 5.672 3.988 1.00 0.00 O ATOM 0 H SER A 78 16.533 6.213 3.844 1.00 0.00 H new ATOM 0 HA SER A 78 17.929 3.925 2.589 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.135 5.055 5.407 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.128 3.784 4.723 1.00 0.00 H new ATOM 0 HG SER A 78 20.182 5.849 4.663 1.00 0.00 H new ATOM 1218 N LEU A 79 16.362 2.240 3.500 1.00 0.00 N ATOM 1219 CA LEU A 79 15.466 1.212 3.954 1.00 0.00 C ATOM 1220 C LEU A 79 16.060 0.402 5.085 1.00 0.00 C ATOM 1221 O LEU A 79 17.276 0.229 5.158 1.00 0.00 O ATOM 1222 CB LEU A 79 15.166 0.278 2.797 1.00 0.00 C ATOM 1223 CG LEU A 79 14.309 0.807 1.656 1.00 0.00 C ATOM 1224 CD1 LEU A 79 12.923 1.162 2.138 1.00 0.00 C ATOM 1225 CD2 LEU A 79 14.948 1.970 0.890 1.00 0.00 C ATOM 0 H LEU A 79 16.886 1.979 2.665 1.00 0.00 H new ATOM 0 HA LEU A 79 14.560 1.695 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.117 -0.049 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.675 -0.607 3.201 1.00 0.00 H new ATOM 0 HG LEU A 79 14.231 -0.009 0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.332 1.537 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.443 0.275 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.991 1.930 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.278 2.292 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.126 2.801 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 79 15.895 1.645 0.459 1.00 0.00 H new ATOM 1237 N LYS A 80 15.193 -0.084 5.972 1.00 0.00 N ATOM 1238 CA LYS A 80 15.603 -0.943 7.070 1.00 0.00 C ATOM 1239 C LYS A 80 16.175 -2.250 6.541 1.00 0.00 C ATOM 1240 O LYS A 80 15.789 -2.724 5.462 1.00 0.00 O ATOM 1241 CB LYS A 80 14.430 -1.246 8.009 1.00 0.00 C ATOM 1242 CG LYS A 80 13.909 -0.064 8.821 1.00 0.00 C ATOM 1243 CD LYS A 80 12.807 -0.501 9.793 1.00 0.00 C ATOM 1244 CE LYS A 80 11.623 -1.106 9.051 1.00 0.00 C ATOM 1245 NZ LYS A 80 10.573 -1.631 9.944 1.00 0.00 N ATOM 0 H LYS A 80 14.192 0.108 5.946 1.00 0.00 H new ATOM 0 HA LYS A 80 16.371 -0.411 7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.608 -1.646 7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.736 -2.031 8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.730 0.388 9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.521 0.700 8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.208 -1.230 10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.473 0.357 10.377 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.188 -0.349 8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.980 -1.912 8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.661 -1.632 9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.813 -2.602 10.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.504 -1.029 10.790 1.00 0.00 H new ATOM 1259 N GLU A 81 17.060 -2.831 7.305 1.00 0.00 N ATOM 1260 CA GLU A 81 17.725 -4.062 6.922 1.00 0.00 C ATOM 1261 C GLU A 81 16.740 -5.223 7.088 1.00 0.00 C ATOM 1262 O GLU A 81 16.684 -6.153 6.286 1.00 0.00 O ATOM 1263 CB GLU A 81 18.915 -4.326 7.869 1.00 0.00 C ATOM 1264 CG GLU A 81 19.809 -3.110 8.201 1.00 0.00 C ATOM 1265 CD GLU A 81 20.466 -2.456 7.004 1.00 0.00 C ATOM 1266 OE1 GLU A 81 21.373 -3.062 6.399 1.00 0.00 O ATOM 1267 OE2 GLU A 81 20.105 -1.307 6.667 1.00 0.00 O ATOM 0 H GLU A 81 17.346 -2.469 8.215 1.00 0.00 H new ATOM 0 HA GLU A 81 18.071 -3.978 5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.525 -4.729 8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 81 19.541 -5.100 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.205 -2.364 8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 81 20.587 -3.428 8.895 1.00 0.00 H new ATOM 1274 N HIS A 82 15.924 -5.104 8.115 1.00 0.00 N ATOM 1275 CA HIS A 82 15.041 -6.175 8.571 1.00 0.00 C ATOM 1276 C HIS A 82 13.669 -6.168 7.853 1.00 0.00 C ATOM 1277 O HIS A 82 12.730 -6.822 8.299 1.00 0.00 O ATOM 1278 CB HIS A 82 14.867 -6.063 10.099 1.00 0.00 C ATOM 1279 CG HIS A 82 14.371 -7.317 10.762 1.00 0.00 C ATOM 1280 ND1 HIS A 82 13.121 -7.452 11.337 1.00 0.00 N ATOM 1281 CD2 HIS A 82 14.994 -8.490 10.955 1.00 0.00 C ATOM 1282 CE1 HIS A 82 13.009 -8.655 11.853 1.00 0.00 C ATOM 1283 NE2 HIS A 82 14.129 -9.303 11.635 1.00 0.00 N ATOM 0 H HIS A 82 15.849 -4.251 8.669 1.00 0.00 H new ATOM 0 HA HIS A 82 15.505 -7.128 8.318 1.00 0.00 H new ATOM 0 HB2 HIS A 82 15.824 -5.787 10.542 1.00 0.00 H new ATOM 0 HB3 HIS A 82 14.170 -5.253 10.314 1.00 0.00 H new ATOM 0 HD2 HIS A 82 15.993 -8.745 10.633 1.00 0.00 H new ATOM 0 HE1 HIS A 82 12.143 -9.044 12.368 1.00 0.00 H new ATOM 0 HE2 HIS A 82 14.324 -10.261 11.926 1.00 0.00 H new ATOM 1292 N LEU A 83 13.549 -5.410 6.776 1.00 0.00 N ATOM 1293 CA LEU A 83 12.293 -5.335 6.022 1.00 0.00 C ATOM 1294 C LEU A 83 11.789 -6.673 5.516 1.00 0.00 C ATOM 1295 O LEU A 83 12.560 -7.528 5.070 1.00 0.00 O ATOM 1296 CB LEU A 83 12.404 -4.393 4.880 1.00 0.00 C ATOM 1297 CG LEU A 83 12.466 -2.940 5.238 1.00 0.00 C ATOM 1298 CD1 LEU A 83 12.499 -2.170 3.994 1.00 0.00 C ATOM 1299 CD2 LEU A 83 11.247 -2.534 6.031 1.00 0.00 C ATOM 0 H LEU A 83 14.302 -4.835 6.398 1.00 0.00 H new ATOM 0 HA LEU A 83 11.561 -4.970 6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 83 13.298 -4.646 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.551 -4.549 4.220 1.00 0.00 H new ATOM 0 HG LEU A 83 13.353 -2.752 5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 83 12.544 -1.106 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.378 -2.453 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.600 -2.377 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.312 -1.475 6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.351 -2.713 5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.197 -3.121 6.948 1.00 0.00 H new ATOM 1311 N ILE A 84 10.486 -6.825 5.574 1.00 0.00 N ATOM 1312 CA ILE A 84 9.770 -8.020 5.180 1.00 0.00 C ATOM 1313 C ILE A 84 8.562 -7.553 4.409 1.00 0.00 C ATOM 1314 O ILE A 84 8.258 -6.380 4.471 1.00 0.00 O ATOM 1315 CB ILE A 84 9.324 -8.817 6.439 1.00 0.00 C ATOM 1316 CG1 ILE A 84 10.520 -9.119 7.313 1.00 0.00 C ATOM 1317 CG2 ILE A 84 8.645 -10.123 6.052 1.00 0.00 C ATOM 1318 CD1 ILE A 84 10.141 -9.782 8.580 1.00 0.00 C ATOM 0 H ILE A 84 9.868 -6.087 5.912 1.00 0.00 H new ATOM 0 HA ILE A 84 10.397 -8.678 4.578 1.00 0.00 H new ATOM 0 HB ILE A 84 8.611 -8.201 6.987 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.214 -9.757 6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 84 11.047 -8.191 7.535 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.345 -10.658 6.953 1.00 0.00 H new ATOM 0 HG22 ILE A 84 7.764 -9.910 5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.339 -10.738 5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.036 -9.977 9.171 1.00 0.00 H new ATOM 0 HD12 ILE A 84 9.469 -9.134 9.143 1.00 0.00 H new ATOM 0 HD13 ILE A 84 9.638 -10.724 8.361 1.00 0.00 H new ATOM 1330 N ASP A 85 7.897 -8.468 3.709 1.00 0.00 N ATOM 1331 CA ASP A 85 6.696 -8.205 2.844 1.00 0.00 C ATOM 1332 C ASP A 85 5.494 -7.660 3.713 1.00 0.00 C ATOM 1333 O ASP A 85 5.754 -6.954 4.652 1.00 0.00 O ATOM 1334 CB ASP A 85 6.387 -9.517 2.092 1.00 0.00 C ATOM 1335 CG ASP A 85 5.257 -9.468 1.048 1.00 0.00 C ATOM 1336 OD1 ASP A 85 4.080 -9.701 1.395 1.00 0.00 O ATOM 1337 OD2 ASP A 85 5.538 -9.246 -0.147 1.00 0.00 O ATOM 0 H ASP A 85 8.168 -9.451 3.712 1.00 0.00 H new ATOM 0 HA ASP A 85 6.882 -7.422 2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.298 -9.845 1.591 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.136 -10.280 2.829 1.00 0.00 H new ATOM 1342 N GLU A 86 4.199 -7.975 3.395 1.00 0.00 N ATOM 1343 CA GLU A 86 2.963 -7.418 4.065 1.00 0.00 C ATOM 1344 C GLU A 86 3.008 -7.261 5.598 1.00 0.00 C ATOM 1345 O GLU A 86 2.183 -6.561 6.204 1.00 0.00 O ATOM 1346 CB GLU A 86 1.695 -8.081 3.553 1.00 0.00 C ATOM 1347 CG GLU A 86 1.549 -9.550 3.843 1.00 0.00 C ATOM 1348 CD GLU A 86 0.823 -9.804 5.128 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -0.421 -9.721 5.139 1.00 0.00 O ATOM 1350 OE2 GLU A 86 1.468 -10.101 6.138 1.00 0.00 O ATOM 0 H GLU A 86 3.974 -8.636 2.652 1.00 0.00 H new ATOM 0 HA GLU A 86 2.945 -6.376 3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.839 -7.560 3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.646 -7.939 2.473 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.012 -10.029 3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.536 -10.009 3.889 1.00 0.00 H new ATOM 1357 N LEU A 87 3.916 -7.934 6.200 1.00 0.00 N ATOM 1358 CA LEU A 87 4.236 -7.754 7.586 1.00 0.00 C ATOM 1359 C LEU A 87 4.717 -6.317 7.827 1.00 0.00 C ATOM 1360 O LEU A 87 4.085 -5.554 8.571 1.00 0.00 O ATOM 1361 CB LEU A 87 5.356 -8.698 7.986 1.00 0.00 C ATOM 1362 CG LEU A 87 5.096 -10.162 7.767 1.00 0.00 C ATOM 1363 CD1 LEU A 87 6.205 -10.965 8.377 1.00 0.00 C ATOM 1364 CD2 LEU A 87 3.759 -10.568 8.337 1.00 0.00 C ATOM 0 H LEU A 87 4.479 -8.648 5.739 1.00 0.00 H new ATOM 0 HA LEU A 87 3.342 -7.958 8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.252 -8.422 7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.575 -8.543 9.042 1.00 0.00 H new ATOM 0 HG LEU A 87 5.065 -10.357 6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.016 -12.027 8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.151 -10.691 7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.255 -10.762 9.447 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.598 -11.632 8.164 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.744 -10.368 9.408 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.968 -9.997 7.851 1.00 0.00 H new ATOM 1376 N ASP A 88 5.816 -5.941 7.169 1.00 0.00 N ATOM 1377 CA ASP A 88 6.413 -4.615 7.376 1.00 0.00 C ATOM 1378 C ASP A 88 5.958 -3.675 6.280 1.00 0.00 C ATOM 1379 O ASP A 88 5.572 -2.531 6.540 1.00 0.00 O ATOM 1380 CB ASP A 88 7.960 -4.672 7.362 1.00 0.00 C ATOM 1381 CG ASP A 88 8.597 -3.621 8.285 1.00 0.00 C ATOM 1382 OD1 ASP A 88 8.567 -2.414 7.998 1.00 0.00 O ATOM 1383 OD2 ASP A 88 9.167 -4.001 9.331 1.00 0.00 O ATOM 0 H ASP A 88 6.308 -6.527 6.495 1.00 0.00 H new ATOM 0 HA ASP A 88 6.086 -4.259 8.353 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.286 -5.666 7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.317 -4.520 6.343 1.00 0.00 H new ATOM 1388 N TYR A 89 5.919 -4.187 5.061 1.00 0.00 N ATOM 1389 CA TYR A 89 5.600 -3.354 3.888 1.00 0.00 C ATOM 1390 C TYR A 89 4.715 -4.119 2.956 1.00 0.00 C ATOM 1391 O TYR A 89 4.192 -5.075 3.339 1.00 0.00 O ATOM 1392 CB TYR A 89 6.887 -2.878 3.145 1.00 0.00 C ATOM 1393 CG TYR A 89 7.817 -3.965 2.550 1.00 0.00 C ATOM 1394 CD1 TYR A 89 7.362 -4.895 1.614 1.00 0.00 C ATOM 1395 CD2 TYR A 89 9.153 -4.014 2.894 1.00 0.00 C ATOM 1396 CE1 TYR A 89 8.199 -5.825 1.044 1.00 0.00 C ATOM 1397 CE2 TYR A 89 10.003 -4.958 2.322 1.00 0.00 C ATOM 1398 CZ TYR A 89 9.517 -5.849 1.401 1.00 0.00 C ATOM 1399 OH TYR A 89 10.367 -6.759 0.824 1.00 0.00 O ATOM 0 H TYR A 89 6.101 -5.167 4.847 1.00 0.00 H new ATOM 0 HA TYR A 89 5.080 -2.462 4.238 1.00 0.00 H new ATOM 0 HB2 TYR A 89 6.581 -2.217 2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.474 -2.278 3.841 1.00 0.00 H new ATOM 0 HD1 TYR A 89 6.320 -4.884 1.329 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.544 -3.312 3.615 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.818 -6.530 0.320 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.045 -4.988 2.604 1.00 0.00 H new ATOM 0 HH TYR A 89 11.269 -6.641 1.188 1.00 0.00 H new ATOM 1409 N ILE A 90 4.494 -3.638 1.759 1.00 0.00 N ATOM 1410 CA ILE A 90 3.824 -4.382 0.735 1.00 0.00 C ATOM 1411 C ILE A 90 4.432 -3.988 -0.576 1.00 0.00 C ATOM 1412 O ILE A 90 4.956 -2.884 -0.702 1.00 0.00 O ATOM 1413 CB ILE A 90 2.316 -4.080 0.656 1.00 0.00 C ATOM 1414 CG1 ILE A 90 1.651 -4.220 1.988 1.00 0.00 C ATOM 1415 CG2 ILE A 90 1.639 -4.985 -0.336 1.00 0.00 C ATOM 1416 CD1 ILE A 90 0.194 -4.195 1.903 1.00 0.00 C ATOM 0 H ILE A 90 4.781 -2.703 1.469 1.00 0.00 H new ATOM 0 HA ILE A 90 3.938 -5.442 0.964 1.00 0.00 H new ATOM 0 HB ILE A 90 2.218 -3.045 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.967 -5.156 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.985 -3.414 2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.575 -4.752 -0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.078 -4.837 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.773 -6.023 -0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.231 -4.301 2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.129 -3.248 1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.148 -5.017 1.274 1.00 0.00 H new ATOM 1428 N LEU A 91 4.376 -4.880 -1.516 1.00 0.00 N ATOM 1429 CA LEU A 91 4.847 -4.655 -2.829 1.00 0.00 C ATOM 1430 C LEU A 91 3.735 -4.756 -3.818 1.00 0.00 C ATOM 1431 O LEU A 91 2.893 -5.672 -3.764 1.00 0.00 O ATOM 1432 CB LEU A 91 5.971 -5.590 -3.160 1.00 0.00 C ATOM 1433 CG LEU A 91 7.237 -5.304 -2.406 1.00 0.00 C ATOM 1434 CD1 LEU A 91 8.268 -6.293 -2.717 1.00 0.00 C ATOM 1435 CD2 LEU A 91 7.745 -3.956 -2.762 1.00 0.00 C ATOM 0 H LEU A 91 3.987 -5.812 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 91 5.240 -3.640 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.656 -6.612 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.175 -5.534 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 91 7.009 -5.350 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.174 -6.062 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 91 7.914 -7.286 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.485 -6.269 -3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.664 -3.756 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.948 -3.914 -3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.997 -3.206 -2.505 1.00 0.00 H new ATOM 1447 N LEU A 92 3.718 -3.812 -4.698 1.00 0.00 N ATOM 1448 CA LEU A 92 2.696 -3.689 -5.717 1.00 0.00 C ATOM 1449 C LEU A 92 3.391 -3.266 -6.980 1.00 0.00 C ATOM 1450 O LEU A 92 4.512 -2.753 -6.907 1.00 0.00 O ATOM 1451 CB LEU A 92 1.618 -2.612 -5.362 1.00 0.00 C ATOM 1452 CG LEU A 92 0.994 -2.651 -3.965 1.00 0.00 C ATOM 1453 CD1 LEU A 92 1.933 -2.047 -2.969 1.00 0.00 C ATOM 1454 CD2 LEU A 92 -0.344 -1.944 -3.927 1.00 0.00 C ATOM 0 H LEU A 92 4.426 -3.079 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 92 2.179 -4.644 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.070 -1.630 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.811 -2.695 -6.090 1.00 0.00 H new ATOM 0 HG LEU A 92 0.818 -3.695 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.481 -2.079 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.866 -2.610 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.136 -1.012 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.754 -1.994 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.212 -0.901 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.031 -2.427 -4.622 1.00 0.00 H new ATOM 1466 N PRO A 93 2.776 -3.476 -8.152 1.00 0.00 N ATOM 1467 CA PRO A 93 3.336 -3.019 -9.403 1.00 0.00 C ATOM 1468 C PRO A 93 3.418 -1.516 -9.419 1.00 0.00 C ATOM 1469 O PRO A 93 2.824 -0.835 -8.547 1.00 0.00 O ATOM 1470 CB PRO A 93 2.307 -3.417 -10.455 1.00 0.00 C ATOM 1471 CG PRO A 93 1.448 -4.422 -9.837 1.00 0.00 C ATOM 1472 CD PRO A 93 1.497 -4.171 -8.348 1.00 0.00 C ATOM 0 HA PRO A 93 4.330 -3.434 -9.566 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.725 -2.553 -10.774 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.796 -3.818 -11.343 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.427 -4.342 -10.210 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.796 -5.428 -10.073 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.656 -3.562 -8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.457 -5.103 -7.784 1.00 0.00 H new ATOM 1480 N THR A 94 4.115 -1.015 -10.399 1.00 0.00 N ATOM 1481 CA THR A 94 4.207 0.388 -10.694 1.00 0.00 C ATOM 1482 C THR A 94 2.829 1.061 -10.582 1.00 0.00 C ATOM 1483 O THR A 94 2.659 2.046 -9.879 1.00 0.00 O ATOM 1484 CB THR A 94 4.718 0.503 -12.137 1.00 0.00 C ATOM 1485 OG1 THR A 94 6.067 0.041 -12.236 1.00 0.00 O ATOM 1486 CG2 THR A 94 4.553 1.888 -12.699 1.00 0.00 C ATOM 0 H THR A 94 4.656 -1.595 -11.040 1.00 0.00 H new ATOM 0 HA THR A 94 4.875 0.882 -9.989 1.00 0.00 H new ATOM 0 HB THR A 94 4.096 -0.146 -12.754 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.373 0.121 -13.164 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.930 1.913 -13.721 1.00 0.00 H new ATOM 0 HG22 THR A 94 3.497 2.159 -12.695 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.112 2.597 -12.088 1.00 0.00 H new ATOM 1494 N GLU A 95 1.867 0.433 -11.196 1.00 0.00 N ATOM 1495 CA GLU A 95 0.516 0.923 -11.300 1.00 0.00 C ATOM 1496 C GLU A 95 -0.177 0.976 -9.966 1.00 0.00 C ATOM 1497 O GLU A 95 -0.920 1.893 -9.706 1.00 0.00 O ATOM 1498 CB GLU A 95 -0.228 0.012 -12.208 1.00 0.00 C ATOM 1499 CG GLU A 95 0.504 -0.208 -13.497 1.00 0.00 C ATOM 1500 CD GLU A 95 0.647 1.065 -14.311 1.00 0.00 C ATOM 1501 OE1 GLU A 95 -0.294 1.396 -15.068 1.00 0.00 O ATOM 1502 OE2 GLU A 95 1.652 1.768 -14.191 1.00 0.00 O ATOM 0 H GLU A 95 2.004 -0.467 -11.656 1.00 0.00 H new ATOM 0 HA GLU A 95 0.542 1.942 -11.686 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.387 -0.946 -11.712 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.213 0.430 -12.416 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.494 -0.612 -13.284 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.025 -0.955 -14.088 1.00 0.00 H new ATOM 1509 N GLY A 96 0.075 -0.012 -9.127 1.00 0.00 N ATOM 1510 CA GLY A 96 -0.548 -0.057 -7.842 1.00 0.00 C ATOM 1511 C GLY A 96 -0.151 1.128 -7.026 1.00 0.00 C ATOM 1512 O GLY A 96 -1.000 1.855 -6.511 1.00 0.00 O ATOM 0 H GLY A 96 0.708 -0.787 -9.323 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.632 -0.080 -7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.263 -0.974 -7.325 1.00 0.00 H new ATOM 1516 N TRP A 97 1.146 1.334 -6.955 1.00 0.00 N ATOM 1517 CA TRP A 97 1.721 2.475 -6.318 1.00 0.00 C ATOM 1518 C TRP A 97 1.195 3.756 -6.951 1.00 0.00 C ATOM 1519 O TRP A 97 0.751 4.656 -6.241 1.00 0.00 O ATOM 1520 CB TRP A 97 3.215 2.391 -6.473 1.00 0.00 C ATOM 1521 CG TRP A 97 3.919 3.581 -5.980 1.00 0.00 C ATOM 1522 CD1 TRP A 97 4.445 4.560 -6.737 1.00 0.00 C ATOM 1523 CD2 TRP A 97 4.150 3.929 -4.628 1.00 0.00 C ATOM 1524 NE1 TRP A 97 5.004 5.515 -5.944 1.00 0.00 N ATOM 1525 CE2 TRP A 97 4.838 5.143 -4.627 1.00 0.00 C ATOM 1526 CE3 TRP A 97 3.841 3.322 -3.414 1.00 0.00 C ATOM 1527 CZ2 TRP A 97 5.226 5.773 -3.451 1.00 0.00 C ATOM 1528 CZ3 TRP A 97 4.221 3.940 -2.254 1.00 0.00 C ATOM 1529 CH2 TRP A 97 4.909 5.153 -2.273 1.00 0.00 C ATOM 0 H TRP A 97 1.835 0.694 -7.350 1.00 0.00 H new ATOM 0 HA TRP A 97 1.453 2.490 -5.262 1.00 0.00 H new ATOM 0 HB2 TRP A 97 3.580 1.514 -5.938 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.456 2.245 -7.526 1.00 0.00 H new ATOM 0 HD1 TRP A 97 4.427 4.585 -7.817 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.468 6.363 -6.270 1.00 0.00 H new ATOM 0 HE3 TRP A 97 3.311 2.381 -3.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 5.756 6.714 -3.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.984 3.480 -1.306 1.00 0.00 H new ATOM 0 HH2 TRP A 97 5.197 5.612 -1.339 1.00 0.00 H new ATOM 1540 N ASN A 98 1.256 3.823 -8.291 1.00 0.00 N ATOM 1541 CA ASN A 98 0.732 4.954 -9.049 1.00 0.00 C ATOM 1542 C ASN A 98 -0.646 5.315 -8.614 1.00 0.00 C ATOM 1543 O ASN A 98 -0.909 6.466 -8.376 1.00 0.00 O ATOM 1544 CB ASN A 98 0.704 4.721 -10.569 1.00 0.00 C ATOM 1545 CG ASN A 98 2.055 4.755 -11.243 1.00 0.00 C ATOM 1546 OD1 ASN A 98 2.986 5.430 -10.791 1.00 0.00 O ATOM 1547 ND2 ASN A 98 2.174 4.059 -12.347 1.00 0.00 N ATOM 0 H ASN A 98 1.670 3.093 -8.871 1.00 0.00 H new ATOM 0 HA ASN A 98 1.426 5.767 -8.839 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.241 3.754 -10.765 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.067 5.478 -11.026 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.055 4.064 -12.861 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.385 3.512 -12.693 1.00 0.00 H new ATOM 1554 N LYS A 99 -1.518 4.322 -8.441 1.00 0.00 N ATOM 1555 CA LYS A 99 -2.877 4.565 -8.083 1.00 0.00 C ATOM 1556 C LYS A 99 -2.963 5.140 -6.719 1.00 0.00 C ATOM 1557 O LYS A 99 -3.609 6.136 -6.512 1.00 0.00 O ATOM 1558 CB LYS A 99 -3.646 3.283 -8.188 1.00 0.00 C ATOM 1559 CG LYS A 99 -3.794 2.843 -9.613 1.00 0.00 C ATOM 1560 CD LYS A 99 -4.335 1.459 -9.719 1.00 0.00 C ATOM 1561 CE LYS A 99 -4.237 0.960 -11.152 1.00 0.00 C ATOM 1562 NZ LYS A 99 -5.149 1.687 -12.058 1.00 0.00 N ATOM 0 H LYS A 99 -1.283 3.335 -8.550 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.313 5.293 -8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.138 2.506 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.632 3.412 -7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.456 3.532 -10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.825 2.892 -10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.781 0.794 -9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.374 1.442 -9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.212 1.072 -11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.470 -0.104 -11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.189 1.199 -12.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.101 1.718 -11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.800 2.657 -12.197 1.00 0.00 H new ATOM 1576 N LEU A 100 -2.235 4.572 -5.816 1.00 0.00 N ATOM 1577 CA LEU A 100 -2.241 5.015 -4.448 1.00 0.00 C ATOM 1578 C LEU A 100 -1.685 6.416 -4.322 1.00 0.00 C ATOM 1579 O LEU A 100 -2.167 7.225 -3.542 1.00 0.00 O ATOM 1580 CB LEU A 100 -1.498 4.005 -3.613 1.00 0.00 C ATOM 1581 CG LEU A 100 -2.110 2.623 -3.683 1.00 0.00 C ATOM 1582 CD1 LEU A 100 -1.428 1.666 -2.767 1.00 0.00 C ATOM 1583 CD2 LEU A 100 -3.600 2.696 -3.433 1.00 0.00 C ATOM 0 H LEU A 100 -1.614 3.784 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.264 5.077 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.462 3.956 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.483 4.339 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.960 2.234 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.899 0.686 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.376 1.587 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.510 2.024 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.027 1.695 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.783 3.116 -2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.065 3.330 -4.188 1.00 0.00 H new ATOM 1595 N VAL A 101 -0.739 6.714 -5.143 1.00 0.00 N ATOM 1596 CA VAL A 101 -0.162 7.999 -5.203 1.00 0.00 C ATOM 1597 C VAL A 101 -1.069 8.984 -5.993 1.00 0.00 C ATOM 1598 O VAL A 101 -1.044 10.196 -5.785 1.00 0.00 O ATOM 1599 CB VAL A 101 1.266 7.885 -5.758 1.00 0.00 C ATOM 1600 CG1 VAL A 101 1.755 9.184 -6.293 1.00 0.00 C ATOM 1601 CG2 VAL A 101 2.190 7.409 -4.654 1.00 0.00 C ATOM 0 H VAL A 101 -0.339 6.049 -5.806 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.086 8.425 -4.203 1.00 0.00 H new ATOM 0 HB VAL A 101 1.256 7.170 -6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.768 9.062 -6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.100 9.515 -7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.756 9.928 -5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.206 7.326 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.172 8.124 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.857 6.435 -4.296 1.00 0.00 H new ATOM 1611 N SER A 102 -1.893 8.461 -6.844 1.00 0.00 N ATOM 1612 CA SER A 102 -2.841 9.260 -7.533 1.00 0.00 C ATOM 1613 C SER A 102 -3.953 9.662 -6.556 1.00 0.00 C ATOM 1614 O SER A 102 -4.418 10.800 -6.546 1.00 0.00 O ATOM 1615 CB SER A 102 -3.432 8.467 -8.690 1.00 0.00 C ATOM 1616 OG SER A 102 -2.442 8.095 -9.638 1.00 0.00 O ATOM 0 H SER A 102 -1.924 7.468 -7.077 1.00 0.00 H new ATOM 0 HA SER A 102 -2.357 10.154 -7.927 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.920 7.572 -8.305 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.201 9.062 -9.183 1.00 0.00 H new ATOM 0 HG SER A 102 -1.962 7.303 -9.316 1.00 0.00 H new ATOM 1622 N TRP A 103 -4.302 8.728 -5.695 1.00 0.00 N ATOM 1623 CA TRP A 103 -5.393 8.875 -4.792 1.00 0.00 C ATOM 1624 C TRP A 103 -5.011 9.620 -3.510 1.00 0.00 C ATOM 1625 O TRP A 103 -5.774 10.453 -3.029 1.00 0.00 O ATOM 1626 CB TRP A 103 -5.959 7.482 -4.452 1.00 0.00 C ATOM 1627 CG TRP A 103 -6.406 6.673 -5.653 1.00 0.00 C ATOM 1628 CD1 TRP A 103 -6.721 7.145 -6.894 1.00 0.00 C ATOM 1629 CD2 TRP A 103 -6.561 5.249 -5.726 1.00 0.00 C ATOM 1630 NE1 TRP A 103 -7.092 6.119 -7.709 1.00 0.00 N ATOM 1631 CE2 TRP A 103 -6.988 4.942 -7.029 1.00 0.00 C ATOM 1632 CE3 TRP A 103 -6.383 4.211 -4.822 1.00 0.00 C ATOM 1633 CZ2 TRP A 103 -7.236 3.637 -7.447 1.00 0.00 C ATOM 1634 CZ3 TRP A 103 -6.627 2.920 -5.240 1.00 0.00 C ATOM 1635 CH2 TRP A 103 -7.047 2.643 -6.541 1.00 0.00 C ATOM 0 H TRP A 103 -3.818 7.834 -5.613 1.00 0.00 H new ATOM 0 HA TRP A 103 -6.151 9.483 -5.287 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -5.199 6.917 -3.912 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.806 7.603 -3.776 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -6.682 8.184 -7.188 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.400 6.216 -8.677 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.060 4.411 -3.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -7.566 3.424 -8.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -6.490 2.105 -4.545 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.225 1.619 -6.833 1.00 0.00 H new ATOM 1646 N TYR A 104 -3.849 9.306 -2.946 1.00 0.00 N ATOM 1647 CA TYR A 104 -3.454 9.877 -1.654 1.00 0.00 C ATOM 1648 C TYR A 104 -2.083 10.509 -1.715 1.00 0.00 C ATOM 1649 O TYR A 104 -1.659 11.144 -0.762 1.00 0.00 O ATOM 1650 CB TYR A 104 -3.437 8.768 -0.596 1.00 0.00 C ATOM 1651 CG TYR A 104 -4.735 8.032 -0.510 1.00 0.00 C ATOM 1652 CD1 TYR A 104 -5.800 8.544 0.203 1.00 0.00 C ATOM 1653 CD2 TYR A 104 -4.908 6.835 -1.183 1.00 0.00 C ATOM 1654 CE1 TYR A 104 -7.002 7.884 0.239 1.00 0.00 C ATOM 1655 CE2 TYR A 104 -6.098 6.170 -1.144 1.00 0.00 C ATOM 1656 CZ TYR A 104 -7.140 6.698 -0.436 1.00 0.00 C ATOM 1657 OH TYR A 104 -8.337 6.052 -0.431 1.00 0.00 O ATOM 0 H TYR A 104 -3.168 8.666 -3.355 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.177 10.651 -1.397 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -2.639 8.063 -0.828 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.206 9.203 0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -5.686 9.475 0.739 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -4.087 6.421 -1.749 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.832 8.295 0.794 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.216 5.233 -1.669 1.00 0.00 H new ATOM 0 HH TYR A 104 -8.556 5.776 0.483 1.00 0.00 H new ATOM 1667 N THR A 105 -1.427 10.353 -2.862 1.00 0.00 N ATOM 1668 CA THR A 105 -0.052 10.754 -3.117 1.00 0.00 C ATOM 1669 C THR A 105 0.938 10.263 -2.074 1.00 0.00 C ATOM 1670 O THR A 105 0.640 9.448 -1.179 1.00 0.00 O ATOM 1671 CB THR A 105 0.140 12.287 -3.486 1.00 0.00 C ATOM 1672 OG1 THR A 105 1.479 12.563 -3.956 1.00 0.00 O ATOM 1673 CG2 THR A 105 -0.193 13.199 -2.348 1.00 0.00 C ATOM 0 H THR A 105 -1.864 9.922 -3.677 1.00 0.00 H new ATOM 0 HA THR A 105 0.200 10.220 -4.034 1.00 0.00 H new ATOM 0 HB THR A 105 -0.565 12.486 -4.294 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.947 13.122 -3.301 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.044 14.234 -2.656 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.233 13.053 -2.057 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.455 12.975 -1.501 1.00 0.00 H new ATOM 1681 N LEU A 106 2.088 10.708 -2.239 1.00 0.00 N ATOM 1682 CA LEU A 106 3.177 10.351 -1.431 1.00 0.00 C ATOM 1683 C LEU A 106 3.529 11.516 -0.534 1.00 0.00 C ATOM 1684 O LEU A 106 3.308 12.678 -0.906 1.00 0.00 O ATOM 1685 CB LEU A 106 4.377 10.019 -2.308 1.00 0.00 C ATOM 1686 CG LEU A 106 5.630 9.696 -1.528 1.00 0.00 C ATOM 1687 CD1 LEU A 106 5.540 8.371 -0.831 1.00 0.00 C ATOM 1688 CD2 LEU A 106 6.901 9.847 -2.317 1.00 0.00 C ATOM 0 H LEU A 106 2.328 11.369 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 106 2.914 9.481 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.127 9.170 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.578 10.863 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 106 5.689 10.461 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.464 8.184 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.702 8.383 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.388 7.582 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.753 9.597 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.877 9.177 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.995 10.877 -2.662 1.00 0.00 H new ATOM 1700 N MET A 107 4.050 11.216 0.642 1.00 0.00 N ATOM 1701 CA MET A 107 4.559 12.247 1.524 1.00 0.00 C ATOM 1702 C MET A 107 5.653 13.021 0.868 1.00 0.00 C ATOM 1703 O MET A 107 6.368 12.530 -0.024 1.00 0.00 O ATOM 1704 CB MET A 107 5.077 11.688 2.814 1.00 0.00 C ATOM 1705 CG MET A 107 4.013 11.139 3.687 1.00 0.00 C ATOM 1706 SD MET A 107 3.022 12.380 4.523 1.00 0.00 S ATOM 1707 CE MET A 107 4.151 12.796 5.830 1.00 0.00 C ATOM 0 H MET A 107 4.131 10.267 1.007 1.00 0.00 H new ATOM 0 HA MET A 107 3.716 12.903 1.741 1.00 0.00 H new ATOM 0 HB2 MET A 107 5.800 10.902 2.596 1.00 0.00 H new ATOM 0 HB3 MET A 107 5.610 12.471 3.353 1.00 0.00 H new ATOM 0 HG2 MET A 107 3.355 10.511 3.086 1.00 0.00 H new ATOM 0 HG3 MET A 107 4.472 10.494 4.436 1.00 0.00 H new ATOM 0 HE1 MET A 107 3.761 12.428 6.779 1.00 0.00 H new ATOM 0 HE2 MET A 107 5.120 12.337 5.634 1.00 0.00 H new ATOM 0 HE3 MET A 107 4.266 13.879 5.880 1.00 0.00 H new ATOM 1717 N GLU A 108 5.800 14.200 1.310 1.00 0.00 N ATOM 1718 CA GLU A 108 6.719 15.098 0.765 1.00 0.00 C ATOM 1719 C GLU A 108 8.117 14.781 1.204 1.00 0.00 C ATOM 1720 O GLU A 108 8.360 14.349 2.339 1.00 0.00 O ATOM 1721 CB GLU A 108 6.318 16.489 1.154 1.00 0.00 C ATOM 1722 CG GLU A 108 6.451 16.759 2.634 1.00 0.00 C ATOM 1723 CD GLU A 108 6.026 18.148 3.014 1.00 0.00 C ATOM 1724 OE1 GLU A 108 6.722 19.106 2.654 1.00 0.00 O ATOM 1725 OE2 GLU A 108 4.978 18.305 3.689 1.00 0.00 O ATOM 0 H GLU A 108 5.263 14.579 2.090 1.00 0.00 H new ATOM 0 HA GLU A 108 6.711 15.014 -0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.932 17.203 0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.284 16.659 0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.850 16.037 3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 108 7.488 16.606 2.935 1.00 0.00 H new ATOM 1732 N GLY A 109 9.017 14.917 0.285 1.00 0.00 N ATOM 1733 CA GLY A 109 10.384 14.738 0.592 1.00 0.00 C ATOM 1734 C GLY A 109 10.856 13.312 0.446 1.00 0.00 C ATOM 1735 O GLY A 109 12.048 13.077 0.190 1.00 0.00 O ATOM 0 H GLY A 109 8.821 15.153 -0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.980 15.377 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.564 15.068 1.615 1.00 0.00 H new ATOM 1739 N GLN A 110 9.950 12.351 0.582 1.00 0.00 N ATOM 1740 CA GLN A 110 10.361 10.961 0.513 1.00 0.00 C ATOM 1741 C GLN A 110 10.237 10.468 -0.925 1.00 0.00 C ATOM 1742 O GLN A 110 9.716 11.198 -1.779 1.00 0.00 O ATOM 1743 CB GLN A 110 9.583 10.095 1.535 1.00 0.00 C ATOM 1744 CG GLN A 110 8.215 9.603 1.135 1.00 0.00 C ATOM 1745 CD GLN A 110 7.467 8.903 2.288 1.00 0.00 C ATOM 1746 OE1 GLN A 110 6.722 7.957 2.060 1.00 0.00 O ATOM 1747 NE2 GLN A 110 7.588 9.406 3.512 1.00 0.00 N ATOM 0 H GLN A 110 8.954 12.505 0.736 1.00 0.00 H new ATOM 0 HA GLN A 110 11.409 10.870 0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 110 10.196 9.226 1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 110 9.477 10.673 2.453 1.00 0.00 H new ATOM 0 HG2 GLN A 110 7.621 10.446 0.782 1.00 0.00 H new ATOM 0 HG3 GLN A 110 8.314 8.910 0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 110 8.214 10.194 3.680 1.00 0.00 H new ATOM 0 HE22 GLN A 110 7.055 9.004 4.283 1.00 0.00 H new ATOM 1756 N GLU A 111 10.711 9.282 -1.212 1.00 0.00 N ATOM 1757 CA GLU A 111 10.681 8.778 -2.552 1.00 0.00 C ATOM 1758 C GLU A 111 9.901 7.482 -2.566 1.00 0.00 C ATOM 1759 O GLU A 111 9.706 6.874 -1.516 1.00 0.00 O ATOM 1760 CB GLU A 111 12.110 8.511 -3.087 1.00 0.00 C ATOM 1761 CG GLU A 111 12.845 7.378 -2.383 1.00 0.00 C ATOM 1762 CD GLU A 111 14.136 7.009 -3.067 1.00 0.00 C ATOM 1763 OE1 GLU A 111 14.096 6.502 -4.204 1.00 0.00 O ATOM 1764 OE2 GLU A 111 15.211 7.159 -2.465 1.00 0.00 O ATOM 0 H GLU A 111 11.124 8.648 -0.528 1.00 0.00 H new ATOM 0 HA GLU A 111 10.210 9.524 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.049 8.282 -4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 111 12.697 9.424 -2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.054 7.670 -1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.198 6.502 -2.340 1.00 0.00 H new ATOM 1771 N PRO A 112 9.382 7.083 -3.723 1.00 0.00 N ATOM 1772 CA PRO A 112 8.806 5.771 -3.900 1.00 0.00 C ATOM 1773 C PRO A 112 9.855 4.776 -3.818 1.00 0.00 C ATOM 1774 O PRO A 112 10.824 4.793 -4.578 1.00 0.00 O ATOM 1775 CB PRO A 112 8.227 5.779 -5.295 1.00 0.00 C ATOM 1776 CG PRO A 112 8.157 7.214 -5.669 1.00 0.00 C ATOM 1777 CD PRO A 112 9.262 7.894 -4.921 1.00 0.00 C ATOM 0 HA PRO A 112 8.055 5.541 -3.144 1.00 0.00 H new ATOM 0 HB2 PRO A 112 8.856 5.220 -5.988 1.00 0.00 H new ATOM 0 HB3 PRO A 112 7.240 5.316 -5.316 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.278 7.342 -6.745 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.189 7.639 -5.404 1.00 0.00 H new ATOM 0 HD2 PRO A 112 10.189 7.910 -5.494 1.00 0.00 H new ATOM 0 HD3 PRO A 112 9.015 8.929 -4.686 1.00 0.00 H new ATOM 1785 N ILE A 113 9.678 3.912 -2.929 1.00 0.00 N ATOM 1786 CA ILE A 113 10.619 2.929 -2.733 1.00 0.00 C ATOM 1787 C ILE A 113 10.370 1.844 -3.730 1.00 0.00 C ATOM 1788 O ILE A 113 9.357 1.148 -3.669 1.00 0.00 O ATOM 1789 CB ILE A 113 10.633 2.326 -1.326 1.00 0.00 C ATOM 1790 CG1 ILE A 113 10.760 3.388 -0.205 1.00 0.00 C ATOM 1791 CG2 ILE A 113 11.802 1.418 -1.277 1.00 0.00 C ATOM 1792 CD1 ILE A 113 9.499 4.169 0.093 1.00 0.00 C ATOM 0 H ILE A 113 8.867 3.868 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 113 11.595 3.398 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 113 9.687 1.814 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.084 2.890 0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.546 4.091 -0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 113 11.863 0.957 -0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.692 0.642 -2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.712 1.986 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.695 4.885 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.181 4.702 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.712 3.483 0.405 1.00 0.00 H new ATOM 1804 N ALA A 114 11.238 1.744 -4.661 1.00 0.00 N ATOM 1805 CA ALA A 114 11.129 0.758 -5.665 1.00 0.00 C ATOM 1806 C ALA A 114 12.073 -0.374 -5.377 1.00 0.00 C ATOM 1807 O ALA A 114 13.195 -0.166 -4.918 1.00 0.00 O ATOM 1808 CB ALA A 114 11.389 1.360 -7.012 1.00 0.00 C ATOM 0 H ALA A 114 12.053 2.350 -4.750 1.00 0.00 H new ATOM 0 HA ALA A 114 10.115 0.358 -5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.302 0.589 -7.778 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.661 2.148 -7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.394 1.782 -7.034 1.00 0.00 H new ATOM 1814 N ARG A 115 11.599 -1.539 -5.572 1.00 0.00 N ATOM 1815 CA ARG A 115 12.327 -2.724 -5.396 1.00 0.00 C ATOM 1816 C ARG A 115 11.986 -3.536 -6.604 1.00 0.00 C ATOM 1817 O ARG A 115 11.227 -3.070 -7.450 1.00 0.00 O ATOM 1818 CB ARG A 115 11.831 -3.398 -4.130 1.00 0.00 C ATOM 1819 CG ARG A 115 12.794 -4.349 -3.500 1.00 0.00 C ATOM 1820 CD ARG A 115 13.927 -3.602 -2.801 1.00 0.00 C ATOM 1821 NE ARG A 115 14.905 -4.527 -2.224 1.00 0.00 N ATOM 1822 CZ ARG A 115 15.541 -4.372 -1.046 1.00 0.00 C ATOM 1823 NH1 ARG A 115 15.360 -3.266 -0.312 1.00 0.00 N ATOM 1824 NH2 ARG A 115 16.366 -5.317 -0.617 1.00 0.00 N ATOM 0 H ARG A 115 10.638 -1.699 -5.876 1.00 0.00 H new ATOM 0 HA ARG A 115 13.403 -2.582 -5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 115 11.577 -2.627 -3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 115 10.911 -3.936 -4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 115 12.270 -4.978 -2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 115 13.206 -5.011 -4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 115 14.424 -2.944 -3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 115 13.516 -2.969 -2.015 1.00 0.00 H new ATOM 0 HE ARG A 115 15.125 -5.365 -2.763 1.00 0.00 H new ATOM 0 HH11 ARG A 115 14.736 -2.531 -0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 115 15.847 -3.159 0.578 1.00 0.00 H new ATOM 0 HH21 ARG A 115 16.517 -6.156 -1.178 1.00 0.00 H new ATOM 0 HH22 ARG A 115 16.850 -5.205 0.274 1.00 0.00 H new ATOM 1838 N LYS A 116 12.485 -4.699 -6.721 1.00 0.00 N ATOM 1839 CA LYS A 116 12.158 -5.449 -7.859 1.00 0.00 C ATOM 1840 C LYS A 116 11.863 -6.852 -7.562 1.00 0.00 C ATOM 1841 O LYS A 116 11.880 -7.305 -6.407 1.00 0.00 O ATOM 1842 CB LYS A 116 13.229 -5.362 -8.927 1.00 0.00 C ATOM 1843 CG LYS A 116 14.633 -5.673 -8.450 1.00 0.00 C ATOM 1844 CD LYS A 116 15.652 -5.502 -9.567 1.00 0.00 C ATOM 1845 CE LYS A 116 15.797 -4.039 -9.997 1.00 0.00 C ATOM 1846 NZ LYS A 116 16.726 -3.877 -11.134 1.00 0.00 N ATOM 0 H LYS A 116 13.113 -5.148 -6.054 1.00 0.00 H new ATOM 0 HA LYS A 116 11.244 -4.996 -8.242 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.974 -6.050 -9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.219 -4.357 -9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 116 14.890 -5.017 -7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.672 -6.695 -8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 116 16.619 -5.879 -9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.353 -6.104 -10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 116 14.819 -3.645 -10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 116 16.153 -3.448 -9.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 16.791 -2.871 -11.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 17.668 -4.228 -10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.374 -4.418 -11.949 1.00 0.00 H new ATOM 1860 N VAL A 117 11.555 -7.499 -8.622 1.00 0.00 N ATOM 1861 CA VAL A 117 11.328 -8.858 -8.743 1.00 0.00 C ATOM 1862 C VAL A 117 12.537 -9.698 -8.354 1.00 0.00 C ATOM 1863 O VAL A 117 13.593 -9.188 -7.948 1.00 0.00 O ATOM 1864 CB VAL A 117 11.067 -9.109 -10.204 1.00 0.00 C ATOM 1865 CG1 VAL A 117 9.720 -8.617 -10.621 1.00 0.00 C ATOM 1866 CG2 VAL A 117 12.161 -8.481 -11.066 1.00 0.00 C ATOM 0 H VAL A 117 11.448 -7.020 -9.516 1.00 0.00 H new ATOM 0 HA VAL A 117 10.505 -9.135 -8.085 1.00 0.00 H new ATOM 0 HB VAL A 117 11.082 -10.188 -10.355 1.00 0.00 H new ATOM 0 HG11 VAL A 117 9.572 -8.818 -11.682 1.00 0.00 H new ATOM 0 HG12 VAL A 117 8.951 -9.130 -10.044 1.00 0.00 H new ATOM 0 HG13 VAL A 117 9.653 -7.544 -10.442 1.00 0.00 H new ATOM 0 HG21 VAL A 117 11.952 -8.675 -12.118 1.00 0.00 H new ATOM 0 HG22 VAL A 117 12.187 -7.405 -10.894 1.00 0.00 H new ATOM 0 HG23 VAL A 117 13.126 -8.914 -10.802 1.00 0.00 H new ATOM 1876 N VAL A 118 12.387 -10.984 -8.515 1.00 0.00 N ATOM 1877 CA VAL A 118 13.428 -11.871 -8.291 1.00 0.00 C ATOM 1878 C VAL A 118 14.454 -11.743 -9.391 1.00 0.00 C ATOM 1879 O VAL A 118 14.137 -11.478 -10.551 1.00 0.00 O ATOM 1880 CB VAL A 118 12.931 -13.308 -8.188 1.00 0.00 C ATOM 1881 CG1 VAL A 118 12.009 -13.463 -7.001 1.00 0.00 C ATOM 1882 CG2 VAL A 118 12.267 -13.763 -9.474 1.00 0.00 C ATOM 0 H VAL A 118 11.515 -11.423 -8.810 1.00 0.00 H new ATOM 0 HA VAL A 118 13.889 -11.618 -7.336 1.00 0.00 H new ATOM 0 HB VAL A 118 13.795 -13.955 -8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 118 11.663 -14.495 -6.942 1.00 0.00 H new ATOM 0 HG12 VAL A 118 12.546 -13.207 -6.087 1.00 0.00 H new ATOM 0 HG13 VAL A 118 11.152 -12.799 -7.117 1.00 0.00 H new ATOM 0 HG21 VAL A 118 11.925 -14.792 -9.363 1.00 0.00 H new ATOM 0 HG22 VAL A 118 11.415 -13.119 -9.691 1.00 0.00 H new ATOM 0 HG23 VAL A 118 12.983 -13.705 -10.294 1.00 0.00 H new ATOM 1892 N GLU A 119 15.654 -11.930 -9.011 1.00 0.00 N ATOM 1893 CA GLU A 119 16.790 -11.788 -9.873 1.00 0.00 C ATOM 1894 C GLU A 119 17.279 -13.164 -10.295 1.00 0.00 C ATOM 1895 O GLU A 119 18.330 -13.320 -10.925 1.00 0.00 O ATOM 1896 CB GLU A 119 17.827 -11.054 -9.071 1.00 0.00 C ATOM 1897 CG GLU A 119 18.231 -11.791 -7.795 1.00 0.00 C ATOM 1898 CD GLU A 119 19.174 -11.011 -6.935 1.00 0.00 C ATOM 1899 OE1 GLU A 119 18.735 -10.067 -6.274 1.00 0.00 O ATOM 1900 OE2 GLU A 119 20.367 -11.350 -6.881 1.00 0.00 O ATOM 0 H GLU A 119 15.898 -12.197 -8.057 1.00 0.00 H new ATOM 0 HA GLU A 119 16.557 -11.239 -10.785 1.00 0.00 H new ATOM 0 HB2 GLU A 119 18.711 -10.898 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.443 -10.068 -8.808 1.00 0.00 H new ATOM 0 HG2 GLU A 119 17.335 -12.026 -7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 119 18.695 -12.740 -8.063 1.00 0.00 H new ATOM 1907 N GLN A 120 16.505 -14.138 -9.938 1.00 0.00 N ATOM 1908 CA GLN A 120 16.789 -15.498 -10.192 1.00 0.00 C ATOM 1909 C GLN A 120 15.766 -16.047 -11.195 1.00 0.00 C ATOM 1910 O GLN A 120 16.085 -16.124 -12.385 1.00 0.00 O ATOM 1911 CB GLN A 120 16.789 -16.266 -8.865 1.00 0.00 C ATOM 1912 CG GLN A 120 15.526 -16.093 -8.033 1.00 0.00 C ATOM 1913 CD GLN A 120 14.943 -17.408 -7.616 1.00 0.00 C ATOM 1914 OE1 GLN A 120 15.243 -17.930 -6.548 1.00 0.00 O ATOM 1915 NE2 GLN A 120 14.151 -17.967 -8.472 1.00 0.00 N ATOM 1916 OXT GLN A 120 14.605 -16.303 -10.819 1.00 0.00 O ATOM 0 H GLN A 120 15.625 -13.993 -9.443 1.00 0.00 H new ATOM 0 HA GLN A 120 17.777 -15.617 -10.638 1.00 0.00 H new ATOM 0 HB2 GLN A 120 16.928 -17.327 -9.074 1.00 0.00 H new ATOM 0 HB3 GLN A 120 17.645 -15.943 -8.273 1.00 0.00 H new ATOM 0 HG2 GLN A 120 15.754 -15.501 -7.147 1.00 0.00 H new ATOM 0 HG3 GLN A 120 14.787 -15.535 -8.608 1.00 0.00 H new ATOM 0 HE21 GLN A 120 13.931 -17.493 -9.348 1.00 0.00 H new ATOM 0 HE22 GLN A 120 13.747 -18.882 -8.271 1.00 0.00 H new TER 1925 GLN A 120