USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 981 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 68 MET CE :methyl 180:sc= -0.0209 (180deg=-0.0209) USER MOD Set 1.2: A 74 CYS SG : rot 119:sc= 0.336 USER MOD Set 2.1: A 52 SER OG : rot -79:sc= 2.21 USER MOD Set 2.2: A 57 THR OG1 : rot 82:sc= 0.479 USER MOD Set 3.1: A 47 LYS NZ :NH3+ 163:sc= 1.04 (180deg=0) USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0.893 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 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -60:sc= 0.86 USER MOD Single : A 12 HIS : no HD1:sc=-0.00628 X(o=-0.0063,f=-0.29) USER MOD Single : A 16 THR OG1 : rot -89:sc= 1.55 USER MOD Single : A 25 LYS NZ :NH3+ -148:sc= 1.37 (180deg=0.917) USER MOD Single : A 30 MET CE :methyl 144:sc= -0.721 (180deg=-2.89!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 92:sc= 1.26 USER MOD Single : A 45 MET CE :methyl -162:sc= -0.213 (180deg=-0.612) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= 2.13 (180deg=1.38) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= 1.24 (180deg=1.15) USER MOD Single : A 78 MET CE :methyl -150:sc= -0.0198 (180deg=-0.0633) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 165:sc= 1.13 (180deg=0.787) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 153:sc= 1.18 (180deg=0.586) USER MOD Single : A 98 SER OG : rot 180:sc= 0.727 USER MOD Single : A 109 THR OG1 : rot 110:sc= 0.39 USER MOD Single : A 110 GLN : amide:sc= 0.201 K(o=0.2,f=-0.42) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.681 -0.509 -0.299 1.00 0.00 N ATOM 2 CA MET A 1 9.744 0.475 0.297 1.00 0.00 C ATOM 3 C MET A 1 10.306 1.893 0.137 1.00 0.00 C ATOM 4 O MET A 1 11.402 2.192 0.615 1.00 0.00 O ATOM 5 CB MET A 1 9.426 0.128 1.771 1.00 0.00 C ATOM 6 CG MET A 1 8.558 1.172 2.494 1.00 0.00 C ATOM 7 SD MET A 1 7.062 1.745 1.630 1.00 0.00 S ATOM 8 CE MET A 1 6.024 0.261 1.748 1.00 0.00 C ATOM 0 H1 MET A 1 10.295 -1.468 -0.187 1.00 0.00 H new ATOM 0 H2 MET A 1 10.805 -0.301 -1.310 1.00 0.00 H new ATOM 0 H3 MET A 1 11.601 -0.448 0.183 1.00 0.00 H new ATOM 0 HA MET A 1 8.795 0.431 -0.238 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.917 -0.836 1.804 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.363 0.012 2.315 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.255 0.754 3.454 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.180 2.041 2.706 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.066 0.448 1.263 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.524 -0.573 1.255 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.858 0.015 2.797 1.00 0.00 H new ATOM 20 N ALA A 2 9.555 2.777 -0.538 1.00 0.00 N ATOM 21 CA ALA A 2 9.944 4.172 -0.756 1.00 0.00 C ATOM 22 C ALA A 2 9.875 5.021 0.526 1.00 0.00 C ATOM 23 O ALA A 2 10.485 6.090 0.577 1.00 0.00 O ATOM 24 CB ALA A 2 9.057 4.777 -1.851 1.00 0.00 C ATOM 0 H ALA A 2 8.653 2.538 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 2 10.988 4.180 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.342 5.816 -2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.184 4.213 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.013 4.733 -1.540 1.00 0.00 H new ATOM 30 N SER A 3 9.128 4.570 1.542 1.00 0.00 N ATOM 31 CA SER A 3 8.859 5.288 2.792 1.00 0.00 C ATOM 32 C SER A 3 8.302 6.704 2.577 1.00 0.00 C ATOM 33 O SER A 3 8.497 7.588 3.417 1.00 0.00 O ATOM 34 CB SER A 3 10.086 5.278 3.715 1.00 0.00 C ATOM 35 OG SER A 3 10.617 3.967 3.856 1.00 0.00 O ATOM 0 H SER A 3 8.676 3.656 1.513 1.00 0.00 H new ATOM 0 HA SER A 3 8.062 4.741 3.295 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.852 5.941 3.312 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.810 5.668 4.695 1.00 0.00 H new ATOM 0 HG SER A 3 11.398 3.992 4.447 1.00 0.00 H new ATOM 41 N VAL A 4 7.620 6.938 1.451 1.00 0.00 N ATOM 42 CA VAL A 4 6.864 8.159 1.238 1.00 0.00 C ATOM 43 C VAL A 4 5.784 8.263 2.324 1.00 0.00 C ATOM 44 O VAL A 4 5.366 7.247 2.892 1.00 0.00 O ATOM 45 CB VAL A 4 6.294 8.179 -0.190 1.00 0.00 C ATOM 46 CG1 VAL A 4 7.426 8.327 -1.213 1.00 0.00 C ATOM 47 CG2 VAL A 4 5.409 6.973 -0.540 1.00 0.00 C ATOM 0 H VAL A 4 7.582 6.284 0.669 1.00 0.00 H new ATOM 0 HA VAL A 4 7.504 9.037 1.324 1.00 0.00 H new ATOM 0 HB VAL A 4 5.635 9.046 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.008 8.340 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.961 9.259 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.115 7.488 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.051 7.070 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.990 6.056 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.558 6.937 0.140 1.00 0.00 H new ATOM 57 N GLU A 5 5.356 9.488 2.634 1.00 0.00 N ATOM 58 CA GLU A 5 4.450 9.752 3.742 1.00 0.00 C ATOM 59 C GLU A 5 3.166 8.931 3.566 1.00 0.00 C ATOM 60 O GLU A 5 2.461 9.111 2.569 1.00 0.00 O ATOM 61 CB GLU A 5 4.153 11.256 3.807 1.00 0.00 C ATOM 62 CG GLU A 5 3.374 11.606 5.081 1.00 0.00 C ATOM 63 CD GLU A 5 2.698 12.982 4.968 1.00 0.00 C ATOM 64 OE1 GLU A 5 1.672 13.087 4.256 1.00 0.00 O ATOM 65 OE2 GLU A 5 3.165 13.952 5.610 1.00 0.00 O ATOM 0 H GLU A 5 5.632 10.324 2.119 1.00 0.00 H new ATOM 0 HA GLU A 5 4.911 9.454 4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.087 11.817 3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.578 11.555 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.619 10.843 5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.051 11.601 5.935 1.00 0.00 H new ATOM 72 N ARG A 6 2.856 8.071 4.547 1.00 0.00 N ATOM 73 CA ARG A 6 1.709 7.178 4.593 1.00 0.00 C ATOM 74 C ARG A 6 1.385 6.587 3.230 1.00 0.00 C ATOM 75 O ARG A 6 0.318 6.823 2.664 1.00 0.00 O ATOM 76 CB ARG A 6 0.546 7.894 5.264 1.00 0.00 C ATOM 77 CG ARG A 6 0.787 8.067 6.770 1.00 0.00 C ATOM 78 CD ARG A 6 -0.272 8.983 7.373 1.00 0.00 C ATOM 79 NE ARG A 6 -1.634 8.469 7.135 1.00 0.00 N ATOM 80 CZ ARG A 6 -2.759 8.826 7.759 1.00 0.00 C ATOM 81 NH1 ARG A 6 -2.750 9.735 8.730 1.00 0.00 N ATOM 82 NH2 ARG A 6 -3.892 8.248 7.379 1.00 0.00 N ATOM 0 H ARG A 6 3.442 7.982 5.377 1.00 0.00 H new ATOM 0 HA ARG A 6 1.945 6.306 5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.404 8.871 4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.372 7.329 5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.761 7.095 7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.779 8.485 6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.102 9.081 8.445 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.179 9.980 6.943 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.727 7.758 6.409 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.873 10.173 9.010 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.621 9.994 9.194 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.885 7.554 6.631 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.770 8.498 7.835 1.00 0.00 H new ATOM 96 N ASP A 7 2.348 5.833 2.709 1.00 0.00 N ATOM 97 CA ASP A 7 2.248 5.101 1.443 1.00 0.00 C ATOM 98 C ASP A 7 0.904 4.386 1.246 1.00 0.00 C ATOM 99 O ASP A 7 0.345 4.402 0.149 1.00 0.00 O ATOM 100 CB ASP A 7 3.396 4.092 1.341 1.00 0.00 C ATOM 101 CG ASP A 7 3.261 3.230 0.076 1.00 0.00 C ATOM 102 OD1 ASP A 7 3.579 3.729 -1.025 1.00 0.00 O ATOM 103 OD2 ASP A 7 2.869 2.048 0.186 1.00 0.00 O ATOM 0 H ASP A 7 3.250 5.708 3.168 1.00 0.00 H new ATOM 0 HA ASP A 7 2.317 5.844 0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.349 4.621 1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.401 3.452 2.223 1.00 0.00 H new ATOM 108 N GLU A 8 0.343 3.804 2.305 1.00 0.00 N ATOM 109 CA GLU A 8 -0.932 3.097 2.231 1.00 0.00 C ATOM 110 C GLU A 8 -2.120 4.063 2.165 1.00 0.00 C ATOM 111 O GLU A 8 -3.069 3.809 1.420 1.00 0.00 O ATOM 112 CB GLU A 8 -1.080 2.057 3.361 1.00 0.00 C ATOM 113 CG GLU A 8 -1.137 2.581 4.808 1.00 0.00 C ATOM 114 CD GLU A 8 0.242 2.971 5.368 1.00 0.00 C ATOM 115 OE1 GLU A 8 0.721 4.086 5.067 1.00 0.00 O ATOM 116 OE2 GLU A 8 0.844 2.170 6.120 1.00 0.00 O ATOM 0 H GLU A 8 0.760 3.810 3.236 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.935 2.539 1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.989 1.485 3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.245 1.361 3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.796 3.448 4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.578 1.816 5.447 1.00 0.00 H new ATOM 123 N THR A 9 -2.061 5.199 2.870 1.00 0.00 N ATOM 124 CA THR A 9 -3.050 6.261 2.706 1.00 0.00 C ATOM 125 C THR A 9 -2.940 6.853 1.294 1.00 0.00 C ATOM 126 O THR A 9 -3.968 7.206 0.715 1.00 0.00 O ATOM 127 CB THR A 9 -2.877 7.327 3.798 1.00 0.00 C ATOM 128 OG1 THR A 9 -2.862 6.728 5.088 1.00 0.00 O ATOM 129 CG2 THR A 9 -3.993 8.373 3.812 1.00 0.00 C ATOM 0 H THR A 9 -1.337 5.403 3.559 1.00 0.00 H new ATOM 0 HA THR A 9 -4.053 5.850 2.818 1.00 0.00 H new ATOM 0 HB THR A 9 -1.932 7.817 3.565 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.708 6.256 5.240 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.806 9.094 4.608 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.019 8.890 2.853 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.950 7.881 3.985 1.00 0.00 H new ATOM 137 N ARG A 10 -1.732 6.912 0.709 1.00 0.00 N ATOM 138 CA ARG A 10 -1.558 7.340 -0.677 1.00 0.00 C ATOM 139 C ARG A 10 -2.347 6.396 -1.561 1.00 0.00 C ATOM 140 O ARG A 10 -3.261 6.857 -2.235 1.00 0.00 O ATOM 141 CB ARG A 10 -0.074 7.391 -1.111 1.00 0.00 C ATOM 142 CG ARG A 10 0.430 8.823 -1.320 1.00 0.00 C ATOM 143 CD ARG A 10 0.688 9.518 0.018 1.00 0.00 C ATOM 144 NE ARG A 10 0.074 10.847 0.077 1.00 0.00 N ATOM 145 CZ ARG A 10 0.172 11.716 1.085 1.00 0.00 C ATOM 146 NH1 ARG A 10 0.867 11.423 2.178 1.00 0.00 N ATOM 147 NH2 ARG A 10 -0.438 12.885 0.946 1.00 0.00 N ATOM 0 H ARG A 10 -0.862 6.666 1.182 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.927 8.361 -0.775 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.539 6.901 -0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.050 6.828 -2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.348 8.806 -1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.304 9.390 -1.892 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.296 8.902 0.827 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.762 9.608 0.178 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.481 11.135 -0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.337 10.521 2.257 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.931 12.100 2.938 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.957 13.091 0.092 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.388 13.578 1.693 1.00 0.00 H new ATOM 161 N GLU A 11 -2.042 5.097 -1.534 1.00 0.00 N ATOM 162 CA GLU A 11 -2.691 4.134 -2.418 1.00 0.00 C ATOM 163 C GLU A 11 -4.211 4.203 -2.263 1.00 0.00 C ATOM 164 O GLU A 11 -4.917 4.288 -3.267 1.00 0.00 O ATOM 165 CB GLU A 11 -2.171 2.713 -2.152 1.00 0.00 C ATOM 166 CG GLU A 11 -0.734 2.530 -2.663 1.00 0.00 C ATOM 167 CD GLU A 11 -0.189 1.096 -2.514 1.00 0.00 C ATOM 168 OE1 GLU A 11 -0.720 0.280 -1.726 1.00 0.00 O ATOM 169 OE2 GLU A 11 0.807 0.778 -3.205 1.00 0.00 O ATOM 0 H GLU A 11 -1.348 4.690 -0.907 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.444 4.391 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.206 2.507 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.825 1.989 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.695 2.814 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.079 3.214 -2.124 1.00 0.00 H new ATOM 176 N HIS A 12 -4.707 4.243 -1.021 1.00 0.00 N ATOM 177 CA HIS A 12 -6.132 4.340 -0.731 1.00 0.00 C ATOM 178 C HIS A 12 -6.756 5.588 -1.363 1.00 0.00 C ATOM 179 O HIS A 12 -7.744 5.476 -2.093 1.00 0.00 O ATOM 180 CB HIS A 12 -6.339 4.325 0.794 1.00 0.00 C ATOM 181 CG HIS A 12 -7.739 4.665 1.255 1.00 0.00 C ATOM 182 ND1 HIS A 12 -8.925 4.361 0.620 1.00 0.00 N ATOM 183 CD2 HIS A 12 -8.060 5.380 2.379 1.00 0.00 C ATOM 184 CE1 HIS A 12 -9.930 4.892 1.338 1.00 0.00 C ATOM 185 NE2 HIS A 12 -9.453 5.522 2.428 1.00 0.00 N ATOM 0 H HIS A 12 -4.122 4.208 -0.186 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.639 3.482 -1.172 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.079 3.336 1.171 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -5.643 5.031 1.247 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.359 5.768 3.103 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.976 4.823 1.076 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -9.996 6.005 3.144 1.00 0.00 H new ATOM 193 N ARG A 13 -6.234 6.784 -1.077 1.00 0.00 N ATOM 194 CA ARG A 13 -6.906 8.026 -1.466 1.00 0.00 C ATOM 195 C ARG A 13 -6.679 8.351 -2.935 1.00 0.00 C ATOM 196 O ARG A 13 -7.577 8.899 -3.569 1.00 0.00 O ATOM 197 CB ARG A 13 -6.499 9.176 -0.533 1.00 0.00 C ATOM 198 CG ARG A 13 -6.920 8.936 0.933 1.00 0.00 C ATOM 199 CD ARG A 13 -8.437 8.791 1.153 1.00 0.00 C ATOM 200 NE ARG A 13 -9.148 10.057 0.901 1.00 0.00 N ATOM 201 CZ ARG A 13 -10.160 10.277 0.049 1.00 0.00 C ATOM 202 NH1 ARG A 13 -10.666 9.341 -0.746 1.00 0.00 N ATOM 203 NH2 ARG A 13 -10.703 11.483 -0.028 1.00 0.00 N ATOM 0 H ARG A 13 -5.353 6.918 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.981 7.885 -1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.418 9.309 -0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.950 10.103 -0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.427 8.034 1.295 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.556 9.764 1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.828 8.017 0.493 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.627 8.464 2.175 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.832 10.863 1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.284 8.396 -0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.437 9.568 -1.374 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.351 12.239 0.559 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.473 11.655 -0.674 1.00 0.00 H new ATOM 217 N ILE A 14 -5.542 7.960 -3.508 1.00 0.00 N ATOM 218 CA ILE A 14 -5.319 8.031 -4.944 1.00 0.00 C ATOM 219 C ILE A 14 -6.394 7.177 -5.622 1.00 0.00 C ATOM 220 O ILE A 14 -7.109 7.667 -6.500 1.00 0.00 O ATOM 221 CB ILE A 14 -3.868 7.587 -5.258 1.00 0.00 C ATOM 222 CG1 ILE A 14 -2.875 8.670 -4.759 1.00 0.00 C ATOM 223 CG2 ILE A 14 -3.681 7.289 -6.755 1.00 0.00 C ATOM 224 CD1 ILE A 14 -1.421 8.201 -4.621 1.00 0.00 C ATOM 0 H ILE A 14 -4.750 7.585 -2.985 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.411 9.045 -5.332 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.662 6.656 -4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.905 9.514 -5.448 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.216 9.036 -3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.652 6.981 -6.939 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.358 6.489 -7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.900 8.186 -7.335 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.804 9.027 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.370 7.378 -3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.054 7.864 -5.590 1.00 0.00 H new ATOM 236 N GLU A 15 -6.545 5.921 -5.194 1.00 0.00 N ATOM 237 CA GLU A 15 -7.483 4.992 -5.804 1.00 0.00 C ATOM 238 C GLU A 15 -8.930 5.488 -5.684 1.00 0.00 C ATOM 239 O GLU A 15 -9.685 5.384 -6.647 1.00 0.00 O ATOM 240 CB GLU A 15 -7.304 3.602 -5.171 1.00 0.00 C ATOM 241 CG GLU A 15 -8.295 2.567 -5.715 1.00 0.00 C ATOM 242 CD GLU A 15 -7.983 1.156 -5.186 1.00 0.00 C ATOM 243 OE1 GLU A 15 -8.516 0.764 -4.123 1.00 0.00 O ATOM 244 OE2 GLU A 15 -7.220 0.410 -5.843 1.00 0.00 O ATOM 0 H GLU A 15 -6.018 5.526 -4.415 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.270 4.924 -6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.287 3.254 -5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.426 3.682 -4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.309 2.848 -5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.259 2.565 -6.804 1.00 0.00 H new ATOM 251 N THR A 16 -9.317 6.029 -4.525 1.00 0.00 N ATOM 252 CA THR A 16 -10.710 6.384 -4.244 1.00 0.00 C ATOM 253 C THR A 16 -11.085 7.803 -4.702 1.00 0.00 C ATOM 254 O THR A 16 -12.277 8.106 -4.775 1.00 0.00 O ATOM 255 CB THR A 16 -11.041 6.144 -2.756 1.00 0.00 C ATOM 256 OG1 THR A 16 -10.097 6.736 -1.880 1.00 0.00 O ATOM 257 CG2 THR A 16 -11.110 4.648 -2.435 1.00 0.00 C ATOM 0 H THR A 16 -8.676 6.232 -3.758 1.00 0.00 H new ATOM 0 HA THR A 16 -11.333 5.720 -4.844 1.00 0.00 H new ATOM 0 HB THR A 16 -12.012 6.613 -2.597 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.372 6.101 -1.703 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.345 4.513 -1.379 1.00 0.00 H new ATOM 0 HG22 THR A 16 -11.886 4.181 -3.042 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.149 4.184 -2.655 1.00 0.00 H new ATOM 265 N GLU A 17 -10.112 8.663 -5.036 1.00 0.00 N ATOM 266 CA GLU A 17 -10.385 10.086 -5.270 1.00 0.00 C ATOM 267 C GLU A 17 -9.743 10.646 -6.545 1.00 0.00 C ATOM 268 O GLU A 17 -10.185 11.694 -7.017 1.00 0.00 O ATOM 269 CB GLU A 17 -9.948 10.897 -4.034 1.00 0.00 C ATOM 270 CG GLU A 17 -10.856 12.098 -3.736 1.00 0.00 C ATOM 271 CD GLU A 17 -12.263 11.664 -3.288 1.00 0.00 C ATOM 272 OE1 GLU A 17 -12.385 11.079 -2.187 1.00 0.00 O ATOM 273 OE2 GLU A 17 -13.248 11.931 -4.014 1.00 0.00 O ATOM 0 H GLU A 17 -9.133 8.398 -5.149 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.459 10.181 -5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.932 10.239 -3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.928 11.251 -4.184 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.401 12.711 -2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.936 12.721 -4.627 1.00 0.00 H new ATOM 280 N ILE A 18 -8.746 9.970 -7.131 1.00 0.00 N ATOM 281 CA ILE A 18 -7.942 10.537 -8.219 1.00 0.00 C ATOM 282 C ILE A 18 -8.048 9.654 -9.465 1.00 0.00 C ATOM 283 O ILE A 18 -8.269 10.179 -10.556 1.00 0.00 O ATOM 284 CB ILE A 18 -6.483 10.771 -7.749 1.00 0.00 C ATOM 285 CG1 ILE A 18 -6.457 11.602 -6.441 1.00 0.00 C ATOM 286 CG2 ILE A 18 -5.675 11.461 -8.860 1.00 0.00 C ATOM 287 CD1 ILE A 18 -5.067 12.029 -5.958 1.00 0.00 C ATOM 0 H ILE A 18 -8.476 9.023 -6.866 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.332 11.516 -8.497 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.022 9.806 -7.539 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.062 12.497 -6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.934 11.020 -5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.652 11.621 -8.520 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.668 10.831 -9.749 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.132 12.421 -9.099 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.163 12.604 -5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.459 11.144 -5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.589 12.643 -6.721 1.00 0.00 H new ATOM 299 N ILE A 19 -7.984 8.327 -9.317 1.00 0.00 N ATOM 300 CA ILE A 19 -8.097 7.382 -10.433 1.00 0.00 C ATOM 301 C ILE A 19 -9.328 6.475 -10.288 1.00 0.00 C ATOM 302 O ILE A 19 -9.442 5.467 -10.982 1.00 0.00 O ATOM 303 CB ILE A 19 -6.775 6.633 -10.641 1.00 0.00 C ATOM 304 CG1 ILE A 19 -6.409 5.831 -9.384 1.00 0.00 C ATOM 305 CG2 ILE A 19 -5.677 7.627 -11.069 1.00 0.00 C ATOM 306 CD1 ILE A 19 -5.206 4.944 -9.638 1.00 0.00 C ATOM 0 H ILE A 19 -7.851 7.875 -8.412 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.273 7.938 -11.354 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.880 5.906 -11.446 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.195 6.514 -8.562 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.258 5.220 -9.078 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.739 7.092 -11.216 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.968 8.112 -12.001 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.547 8.381 -10.293 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.967 4.387 -8.732 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.432 4.246 -10.444 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.353 5.560 -9.920 1.00 0.00 H new ATOM 318 N VAL A 20 -10.270 6.840 -9.417 1.00 0.00 N ATOM 319 CA VAL A 20 -11.524 6.115 -9.212 1.00 0.00 C ATOM 320 C VAL A 20 -12.308 5.950 -10.525 1.00 0.00 C ATOM 321 O VAL A 20 -12.951 4.920 -10.738 1.00 0.00 O ATOM 322 CB VAL A 20 -12.323 6.817 -8.091 1.00 0.00 C ATOM 323 CG1 VAL A 20 -12.808 8.231 -8.456 1.00 0.00 C ATOM 324 CG2 VAL A 20 -13.500 5.969 -7.597 1.00 0.00 C ATOM 0 H VAL A 20 -10.180 7.664 -8.823 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.319 5.095 -8.887 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.605 6.930 -7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.360 8.654 -7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.949 8.863 -8.682 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.459 8.178 -9.329 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.030 6.505 -6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.181 5.774 -8.425 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.127 5.023 -7.204 1.00 0.00 H new ATOM 334 N ASP A 21 -12.228 6.939 -11.423 1.00 0.00 N ATOM 335 CA ASP A 21 -12.927 6.938 -12.710 1.00 0.00 C ATOM 336 C ASP A 21 -12.117 6.231 -13.811 1.00 0.00 C ATOM 337 O ASP A 21 -12.625 6.019 -14.914 1.00 0.00 O ATOM 338 CB ASP A 21 -13.221 8.392 -13.108 1.00 0.00 C ATOM 339 CG ASP A 21 -14.077 8.495 -14.384 1.00 0.00 C ATOM 340 OD1 ASP A 21 -15.241 8.034 -14.377 1.00 0.00 O ATOM 341 OD2 ASP A 21 -13.616 9.099 -15.379 1.00 0.00 O ATOM 0 H ASP A 21 -11.665 7.776 -11.271 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.857 6.380 -12.600 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.736 8.892 -12.288 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.280 8.920 -13.263 1.00 0.00 H new ATOM 346 N ALA A 22 -10.852 5.881 -13.539 1.00 0.00 N ATOM 347 CA ALA A 22 -9.957 5.284 -14.525 1.00 0.00 C ATOM 348 C ALA A 22 -10.317 3.815 -14.804 1.00 0.00 C ATOM 349 O ALA A 22 -11.148 3.214 -14.118 1.00 0.00 O ATOM 350 CB ALA A 22 -8.497 5.428 -14.075 1.00 0.00 C ATOM 0 H ALA A 22 -10.424 6.007 -12.622 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.081 5.823 -15.464 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.841 4.978 -14.820 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.252 6.485 -13.966 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.360 4.924 -13.119 1.00 0.00 H new ATOM 356 N GLU A 23 -9.658 3.230 -15.809 1.00 0.00 N ATOM 357 CA GLU A 23 -9.910 1.867 -16.281 1.00 0.00 C ATOM 358 C GLU A 23 -8.630 1.231 -16.850 1.00 0.00 C ATOM 359 O GLU A 23 -8.412 0.031 -16.677 1.00 0.00 O ATOM 360 CB GLU A 23 -11.030 1.914 -17.338 1.00 0.00 C ATOM 361 CG GLU A 23 -11.500 0.521 -17.778 1.00 0.00 C ATOM 362 CD GLU A 23 -12.699 0.607 -18.739 1.00 0.00 C ATOM 363 OE1 GLU A 23 -12.496 0.691 -19.972 1.00 0.00 O ATOM 364 OE2 GLU A 23 -13.863 0.567 -18.277 1.00 0.00 O ATOM 0 H GLU A 23 -8.918 3.703 -16.328 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.226 1.243 -15.445 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.879 2.467 -16.935 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.676 2.464 -18.210 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.679 -0.004 -18.266 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.777 -0.064 -16.901 1.00 0.00 H new ATOM 371 N ASP A 24 -7.750 2.028 -17.466 1.00 0.00 N ATOM 372 CA ASP A 24 -6.419 1.625 -17.924 1.00 0.00 C ATOM 373 C ASP A 24 -5.476 2.803 -17.686 1.00 0.00 C ATOM 374 O ASP A 24 -5.921 3.887 -17.301 1.00 0.00 O ATOM 375 CB ASP A 24 -6.451 1.230 -19.411 1.00 0.00 C ATOM 376 CG ASP A 24 -5.207 0.461 -19.895 1.00 0.00 C ATOM 377 OD1 ASP A 24 -4.332 0.101 -19.076 1.00 0.00 O ATOM 378 OD2 ASP A 24 -5.102 0.212 -21.117 1.00 0.00 O ATOM 0 H ASP A 24 -7.954 3.007 -17.666 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.073 0.751 -17.373 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.334 0.618 -19.592 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.561 2.133 -20.011 1.00 0.00 H new ATOM 383 N LYS A 25 -4.177 2.630 -17.911 1.00 0.00 N ATOM 384 CA LYS A 25 -3.172 3.611 -17.504 1.00 0.00 C ATOM 385 C LYS A 25 -3.280 4.975 -18.185 1.00 0.00 C ATOM 386 O LYS A 25 -2.929 5.980 -17.568 1.00 0.00 O ATOM 387 CB LYS A 25 -1.769 3.020 -17.569 1.00 0.00 C ATOM 388 CG LYS A 25 -1.264 2.565 -18.941 1.00 0.00 C ATOM 389 CD LYS A 25 0.148 1.966 -18.824 1.00 0.00 C ATOM 390 CE LYS A 25 0.200 0.772 -17.852 1.00 0.00 C ATOM 391 NZ LYS A 25 0.719 1.108 -16.500 1.00 0.00 N ATOM 0 H LYS A 25 -3.791 1.810 -18.379 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.393 3.837 -16.461 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.071 3.763 -17.182 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.731 2.165 -16.894 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.946 1.825 -19.359 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.251 3.410 -19.629 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.486 1.644 -19.809 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.840 2.737 -18.486 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.803 0.356 -17.751 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.826 -0.008 -18.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.223 0.287 -16.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.372 1.915 -16.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.074 1.357 -15.876 1.00 0.00 H new ATOM 405 N GLU A 26 -3.817 5.041 -19.403 1.00 0.00 N ATOM 406 CA GLU A 26 -4.108 6.322 -20.047 1.00 0.00 C ATOM 407 C GLU A 26 -5.205 7.049 -19.262 1.00 0.00 C ATOM 408 O GLU A 26 -5.118 8.252 -19.020 1.00 0.00 O ATOM 409 CB GLU A 26 -4.533 6.099 -21.507 1.00 0.00 C ATOM 410 CG GLU A 26 -3.363 5.620 -22.378 1.00 0.00 C ATOM 411 CD GLU A 26 -3.790 5.425 -23.844 1.00 0.00 C ATOM 412 OE1 GLU A 26 -4.254 4.320 -24.209 1.00 0.00 O ATOM 413 OE2 GLU A 26 -3.646 6.366 -24.658 1.00 0.00 O ATOM 0 H GLU A 26 -4.059 4.224 -19.963 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.210 6.940 -20.050 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.337 5.364 -21.543 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.932 7.028 -21.915 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.551 6.346 -22.328 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.976 4.681 -21.983 1.00 0.00 H new ATOM 420 N GLU A 27 -6.214 6.311 -18.794 1.00 0.00 N ATOM 421 CA GLU A 27 -7.288 6.864 -17.981 1.00 0.00 C ATOM 422 C GLU A 27 -6.775 7.226 -16.585 1.00 0.00 C ATOM 423 O GLU A 27 -7.260 8.190 -16.000 1.00 0.00 O ATOM 424 CB GLU A 27 -8.470 5.890 -17.892 1.00 0.00 C ATOM 425 CG GLU A 27 -8.961 5.340 -19.241 1.00 0.00 C ATOM 426 CD GLU A 27 -9.339 6.442 -20.250 1.00 0.00 C ATOM 427 OE1 GLU A 27 -10.154 7.331 -19.916 1.00 0.00 O ATOM 428 OE2 GLU A 27 -8.854 6.406 -21.403 1.00 0.00 O ATOM 0 H GLU A 27 -6.305 5.311 -18.971 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.642 7.775 -18.463 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.183 5.051 -17.257 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.301 6.394 -17.398 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.182 4.713 -19.674 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.827 4.701 -19.071 1.00 0.00 H new ATOM 435 N ARG A 28 -5.781 6.507 -16.047 1.00 0.00 N ATOM 436 CA ARG A 28 -5.165 6.867 -14.766 1.00 0.00 C ATOM 437 C ARG A 28 -4.450 8.206 -14.911 1.00 0.00 C ATOM 438 O ARG A 28 -4.618 9.079 -14.060 1.00 0.00 O ATOM 439 CB ARG A 28 -4.192 5.780 -14.273 1.00 0.00 C ATOM 440 CG ARG A 28 -4.890 4.454 -13.932 1.00 0.00 C ATOM 441 CD ARG A 28 -3.882 3.367 -13.536 1.00 0.00 C ATOM 442 NE ARG A 28 -4.566 2.078 -13.323 1.00 0.00 N ATOM 443 CZ ARG A 28 -4.084 0.857 -13.599 1.00 0.00 C ATOM 444 NH1 ARG A 28 -2.850 0.679 -14.061 1.00 0.00 N ATOM 445 NH2 ARG A 28 -4.863 -0.204 -13.408 1.00 0.00 N ATOM 0 H ARG A 28 -5.387 5.672 -16.481 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.952 6.952 -14.016 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.439 5.600 -15.040 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.667 6.145 -13.390 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.594 4.613 -13.115 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.470 4.117 -14.791 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.128 3.260 -14.316 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.359 3.662 -12.626 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.504 2.119 -12.924 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.242 1.483 -14.215 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.511 -0.262 -14.262 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.813 -0.083 -13.056 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.511 -1.139 -13.613 1.00 0.00 H new ATOM 459 N ALA A 29 -3.702 8.393 -16.002 1.00 0.00 N ATOM 460 CA ALA A 29 -3.054 9.658 -16.298 1.00 0.00 C ATOM 461 C ALA A 29 -4.091 10.776 -16.425 1.00 0.00 C ATOM 462 O ALA A 29 -3.900 11.847 -15.854 1.00 0.00 O ATOM 463 CB ALA A 29 -2.201 9.514 -17.559 1.00 0.00 C ATOM 0 H ALA A 29 -3.533 7.668 -16.699 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.393 9.932 -15.476 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.715 10.464 -17.780 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.443 8.747 -17.400 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.836 9.228 -18.397 1.00 0.00 H new ATOM 469 N MET A 30 -5.215 10.527 -17.106 1.00 0.00 N ATOM 470 CA MET A 30 -6.293 11.506 -17.197 1.00 0.00 C ATOM 471 C MET A 30 -6.933 11.790 -15.837 1.00 0.00 C ATOM 472 O MET A 30 -7.211 12.950 -15.550 1.00 0.00 O ATOM 473 CB MET A 30 -7.329 11.092 -18.245 1.00 0.00 C ATOM 474 CG MET A 30 -6.777 11.171 -19.676 1.00 0.00 C ATOM 475 SD MET A 30 -6.312 12.826 -20.278 1.00 0.00 S ATOM 476 CE MET A 30 -4.563 12.954 -19.794 1.00 0.00 C ATOM 0 H MET A 30 -5.398 9.654 -17.601 1.00 0.00 H new ATOM 0 HA MET A 30 -5.850 12.445 -17.529 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.660 10.074 -18.042 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.205 11.735 -18.160 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.900 10.526 -19.740 1.00 0.00 H new ATOM 0 HG3 MET A 30 -7.525 10.759 -20.353 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.013 13.502 -20.559 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.486 13.482 -18.844 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.140 11.955 -19.689 1.00 0.00 H new ATOM 486 N GLY A 31 -7.110 10.788 -14.973 1.00 0.00 N ATOM 487 CA GLY A 31 -7.633 10.980 -13.627 1.00 0.00 C ATOM 488 C GLY A 31 -6.757 11.953 -12.838 1.00 0.00 C ATOM 489 O GLY A 31 -7.251 12.964 -12.332 1.00 0.00 O ATOM 0 H GLY A 31 -6.892 9.816 -15.193 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.653 11.362 -13.679 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.678 10.022 -13.109 1.00 0.00 H new ATOM 493 N TRP A 32 -5.442 11.703 -12.817 1.00 0.00 N ATOM 494 CA TRP A 32 -4.478 12.616 -12.212 1.00 0.00 C ATOM 495 C TRP A 32 -4.551 14.006 -12.842 1.00 0.00 C ATOM 496 O TRP A 32 -4.619 14.998 -12.115 1.00 0.00 O ATOM 497 CB TRP A 32 -3.059 12.050 -12.344 1.00 0.00 C ATOM 498 CG TRP A 32 -2.672 11.072 -11.284 1.00 0.00 C ATOM 499 CD1 TRP A 32 -2.603 9.729 -11.410 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.271 11.366 -9.913 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.148 9.174 -10.232 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.948 10.139 -9.265 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.153 12.551 -9.154 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -1.518 10.098 -7.932 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.719 12.519 -7.815 1.00 0.00 C ATOM 506 CH2 TRP A 32 -1.396 11.294 -7.206 1.00 0.00 C ATOM 0 H TRP A 32 -5.023 10.864 -13.218 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.729 12.714 -11.156 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.965 11.566 -13.316 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.350 12.878 -12.330 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.865 9.174 -12.299 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.981 8.177 -10.093 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.400 13.499 -9.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.282 9.153 -7.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.634 13.438 -7.254 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.055 11.273 -6.182 1.00 0.00 H new ATOM 517 N TYR A 33 -4.558 14.083 -14.174 1.00 0.00 N ATOM 518 CA TYR A 33 -4.529 15.342 -14.896 1.00 0.00 C ATOM 519 C TYR A 33 -5.756 16.181 -14.546 1.00 0.00 C ATOM 520 O TYR A 33 -5.603 17.354 -14.213 1.00 0.00 O ATOM 521 CB TYR A 33 -4.433 15.062 -16.403 1.00 0.00 C ATOM 522 CG TYR A 33 -4.715 16.252 -17.297 1.00 0.00 C ATOM 523 CD1 TYR A 33 -3.954 17.430 -17.186 1.00 0.00 C ATOM 524 CD2 TYR A 33 -5.781 16.196 -18.211 1.00 0.00 C ATOM 525 CE1 TYR A 33 -4.266 18.553 -17.970 1.00 0.00 C ATOM 526 CE2 TYR A 33 -6.121 17.323 -18.977 1.00 0.00 C ATOM 527 CZ TYR A 33 -5.357 18.509 -18.868 1.00 0.00 C ATOM 528 OH TYR A 33 -5.668 19.610 -19.609 1.00 0.00 O ATOM 0 H TYR A 33 -4.584 13.263 -14.780 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.652 15.919 -14.602 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.433 14.690 -16.625 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.133 14.265 -16.654 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.126 17.471 -16.494 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.342 15.280 -18.325 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.672 19.451 -17.887 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.965 17.284 -19.649 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.443 19.414 -20.176 1.00 0.00 H new ATOM 538 N TYR A 34 -6.957 15.598 -14.561 1.00 0.00 N ATOM 539 CA TYR A 34 -8.186 16.325 -14.279 1.00 0.00 C ATOM 540 C TYR A 34 -8.224 16.775 -12.817 1.00 0.00 C ATOM 541 O TYR A 34 -8.641 17.897 -12.537 1.00 0.00 O ATOM 542 CB TYR A 34 -9.405 15.441 -14.586 1.00 0.00 C ATOM 543 CG TYR A 34 -9.581 14.917 -16.009 1.00 0.00 C ATOM 544 CD1 TYR A 34 -8.927 15.495 -17.121 1.00 0.00 C ATOM 545 CD2 TYR A 34 -10.446 13.824 -16.210 1.00 0.00 C ATOM 546 CE1 TYR A 34 -9.154 14.992 -18.416 1.00 0.00 C ATOM 547 CE2 TYR A 34 -10.671 13.312 -17.500 1.00 0.00 C ATOM 548 CZ TYR A 34 -10.028 13.898 -18.613 1.00 0.00 C ATOM 549 OH TYR A 34 -10.255 13.398 -19.860 1.00 0.00 O ATOM 0 H TYR A 34 -7.099 14.610 -14.769 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.216 17.209 -14.916 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.368 14.581 -13.918 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.300 16.008 -14.328 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.251 16.325 -16.977 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.942 13.374 -15.363 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.658 15.444 -19.263 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.335 12.472 -17.640 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.882 12.647 -19.802 1.00 0.00 H new ATOM 559 N TYR A 35 -7.785 15.925 -11.881 1.00 0.00 N ATOM 560 CA TYR A 35 -7.793 16.248 -10.460 1.00 0.00 C ATOM 561 C TYR A 35 -6.864 17.436 -10.180 1.00 0.00 C ATOM 562 O TYR A 35 -7.257 18.399 -9.517 1.00 0.00 O ATOM 563 CB TYR A 35 -7.386 14.997 -9.668 1.00 0.00 C ATOM 564 CG TYR A 35 -7.516 15.128 -8.163 1.00 0.00 C ATOM 565 CD1 TYR A 35 -8.789 15.084 -7.563 1.00 0.00 C ATOM 566 CD2 TYR A 35 -6.369 15.260 -7.358 1.00 0.00 C ATOM 567 CE1 TYR A 35 -8.918 15.176 -6.166 1.00 0.00 C ATOM 568 CE2 TYR A 35 -6.488 15.361 -5.960 1.00 0.00 C ATOM 569 CZ TYR A 35 -7.767 15.316 -5.357 1.00 0.00 C ATOM 570 OH TYR A 35 -7.905 15.396 -4.003 1.00 0.00 O ATOM 0 H TYR A 35 -7.416 14.998 -12.092 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.793 16.547 -10.144 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.998 14.159 -10.000 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.352 14.752 -9.909 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.670 14.979 -8.179 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.391 15.284 -7.816 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.897 15.140 -5.711 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.605 15.473 -5.348 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.022 15.488 -3.589 1.00 0.00 H new ATOM 580 N LEU A 36 -5.645 17.406 -10.724 1.00 0.00 N ATOM 581 CA LEU A 36 -4.672 18.476 -10.543 1.00 0.00 C ATOM 582 C LEU A 36 -5.138 19.735 -11.269 1.00 0.00 C ATOM 583 O LEU A 36 -5.047 20.815 -10.693 1.00 0.00 O ATOM 584 CB LEU A 36 -3.282 18.022 -11.025 1.00 0.00 C ATOM 585 CG LEU A 36 -2.388 17.424 -9.918 1.00 0.00 C ATOM 586 CD1 LEU A 36 -3.075 16.354 -9.062 1.00 0.00 C ATOM 587 CD2 LEU A 36 -1.141 16.812 -10.563 1.00 0.00 C ATOM 0 H LEU A 36 -5.308 16.636 -11.302 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.591 18.713 -9.482 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.409 17.280 -11.813 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.768 18.875 -11.469 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.141 18.246 -9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.377 15.987 -8.309 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.946 16.786 -8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.391 15.527 -9.698 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.502 16.387 -9.789 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.439 16.028 -11.259 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.593 17.585 -11.101 1.00 0.00 H new ATOM 599 N ASP A 37 -5.700 19.619 -12.473 1.00 0.00 N ATOM 600 CA ASP A 37 -6.257 20.755 -13.207 1.00 0.00 C ATOM 601 C ASP A 37 -7.377 21.441 -12.425 1.00 0.00 C ATOM 602 O ASP A 37 -7.491 22.667 -12.464 1.00 0.00 O ATOM 603 CB ASP A 37 -6.767 20.295 -14.580 1.00 0.00 C ATOM 604 CG ASP A 37 -7.569 21.390 -15.305 1.00 0.00 C ATOM 605 OD1 ASP A 37 -6.961 22.238 -15.993 1.00 0.00 O ATOM 606 OD2 ASP A 37 -8.819 21.373 -15.239 1.00 0.00 O ATOM 0 H ASP A 37 -5.782 18.731 -12.968 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.460 21.486 -13.346 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.920 19.999 -15.199 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.394 19.412 -14.455 1.00 0.00 H new ATOM 611 N ASP A 38 -8.174 20.673 -11.678 1.00 0.00 N ATOM 612 CA ASP A 38 -9.248 21.215 -10.847 1.00 0.00 C ATOM 613 C ASP A 38 -8.726 21.815 -9.536 1.00 0.00 C ATOM 614 O ASP A 38 -9.384 22.677 -8.951 1.00 0.00 O ATOM 615 CB ASP A 38 -10.273 20.113 -10.545 1.00 0.00 C ATOM 616 CG ASP A 38 -11.442 20.640 -9.697 1.00 0.00 C ATOM 617 OD1 ASP A 38 -12.259 21.437 -10.213 1.00 0.00 O ATOM 618 OD2 ASP A 38 -11.586 20.223 -8.525 1.00 0.00 O ATOM 0 H ASP A 38 -8.092 19.657 -11.633 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.720 22.023 -11.407 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.657 19.707 -11.481 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.782 19.294 -10.019 1.00 0.00 H new ATOM 623 N THR A 39 -7.544 21.394 -9.079 1.00 0.00 N ATOM 624 CA THR A 39 -7.049 21.729 -7.745 1.00 0.00 C ATOM 625 C THR A 39 -6.034 22.877 -7.766 1.00 0.00 C ATOM 626 O THR A 39 -6.118 23.790 -6.943 1.00 0.00 O ATOM 627 CB THR A 39 -6.429 20.462 -7.125 1.00 0.00 C ATOM 628 OG1 THR A 39 -7.398 19.438 -7.028 1.00 0.00 O ATOM 629 CG2 THR A 39 -5.839 20.730 -5.739 1.00 0.00 C ATOM 0 H THR A 39 -6.906 20.813 -9.623 1.00 0.00 H new ATOM 0 HA THR A 39 -7.886 22.078 -7.141 1.00 0.00 H new ATOM 0 HB THR A 39 -5.620 20.148 -7.784 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.370 18.883 -7.835 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.413 19.809 -5.341 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.059 21.487 -5.816 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.624 21.085 -5.072 1.00 0.00 H new ATOM 637 N LEU A 40 -5.064 22.820 -8.678 1.00 0.00 N ATOM 638 CA LEU A 40 -3.908 23.707 -8.682 1.00 0.00 C ATOM 639 C LEU A 40 -4.334 25.129 -9.053 1.00 0.00 C ATOM 640 O LEU A 40 -5.023 25.334 -10.053 1.00 0.00 O ATOM 641 CB LEU A 40 -2.866 23.190 -9.686 1.00 0.00 C ATOM 642 CG LEU A 40 -2.237 21.817 -9.369 1.00 0.00 C ATOM 643 CD1 LEU A 40 -1.480 21.314 -10.604 1.00 0.00 C ATOM 644 CD2 LEU A 40 -1.268 21.830 -8.192 1.00 0.00 C ATOM 0 H LEU A 40 -5.062 22.146 -9.444 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.468 23.725 -7.685 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.335 23.133 -10.668 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.065 23.926 -9.758 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.065 21.163 -9.095 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.033 20.344 -10.387 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.172 21.215 -11.440 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.696 22.025 -10.864 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.871 20.827 -8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.448 22.516 -8.404 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.791 22.157 -7.293 1.00 0.00 H new ATOM 656 N GLU A 41 -3.881 26.121 -8.287 1.00 0.00 N ATOM 657 CA GLU A 41 -4.242 27.531 -8.452 1.00 0.00 C ATOM 658 C GLU A 41 -3.459 28.241 -9.578 1.00 0.00 C ATOM 659 O GLU A 41 -3.256 29.455 -9.507 1.00 0.00 O ATOM 660 CB GLU A 41 -4.117 28.267 -7.100 1.00 0.00 C ATOM 661 CG GLU A 41 -2.679 28.454 -6.570 1.00 0.00 C ATOM 662 CD GLU A 41 -2.462 29.856 -5.971 1.00 0.00 C ATOM 663 OE1 GLU A 41 -3.103 30.185 -4.949 1.00 0.00 O ATOM 664 OE2 GLU A 41 -1.628 30.628 -6.494 1.00 0.00 O ATOM 0 H GLU A 41 -3.235 25.963 -7.513 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.283 27.564 -8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.579 29.249 -7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.691 27.718 -6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.471 27.700 -5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.970 28.293 -7.382 1.00 0.00 H new ATOM 671 N PHE A 42 -2.952 27.510 -10.581 1.00 0.00 N ATOM 672 CA PHE A 42 -2.112 28.085 -11.634 1.00 0.00 C ATOM 673 C PHE A 42 -2.842 29.215 -12.397 1.00 0.00 C ATOM 674 O PHE A 42 -4.077 29.196 -12.464 1.00 0.00 O ATOM 675 CB PHE A 42 -1.579 26.985 -12.569 1.00 0.00 C ATOM 676 CG PHE A 42 -2.610 26.054 -13.184 1.00 0.00 C ATOM 677 CD1 PHE A 42 -3.519 26.520 -14.156 1.00 0.00 C ATOM 678 CD2 PHE A 42 -2.614 24.692 -12.831 1.00 0.00 C ATOM 679 CE1 PHE A 42 -4.448 25.638 -14.735 1.00 0.00 C ATOM 680 CE2 PHE A 42 -3.553 23.815 -13.398 1.00 0.00 C ATOM 681 CZ PHE A 42 -4.470 24.288 -14.349 1.00 0.00 C ATOM 0 H PHE A 42 -3.113 26.508 -10.682 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.247 28.551 -11.162 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.027 27.464 -13.378 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.865 26.380 -12.010 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.501 27.557 -14.456 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.891 24.319 -12.120 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.145 25.999 -15.477 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.569 22.776 -13.102 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.193 23.614 -14.784 1.00 0.00 H new ATOM 691 N PRO A 43 -2.126 30.175 -13.023 1.00 0.00 N ATOM 692 CA PRO A 43 -0.671 30.340 -13.019 1.00 0.00 C ATOM 693 C PRO A 43 -0.149 30.682 -11.618 1.00 0.00 C ATOM 694 O PRO A 43 -0.819 31.387 -10.861 1.00 0.00 O ATOM 695 CB PRO A 43 -0.391 31.476 -14.011 1.00 0.00 C ATOM 696 CG PRO A 43 -1.665 32.315 -13.978 1.00 0.00 C ATOM 697 CD PRO A 43 -2.750 31.262 -13.767 1.00 0.00 C ATOM 0 HA PRO A 43 -0.162 29.420 -13.305 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.480 32.060 -13.714 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.191 31.092 -15.012 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.648 33.047 -13.171 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.811 32.868 -14.906 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.593 31.677 -13.215 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.138 30.907 -14.722 1.00 0.00 H new ATOM 705 N PHE A 44 1.037 30.175 -11.266 1.00 0.00 N ATOM 706 CA PHE A 44 1.655 30.415 -9.962 1.00 0.00 C ATOM 707 C PHE A 44 3.175 30.448 -10.107 1.00 0.00 C ATOM 708 O PHE A 44 3.706 30.046 -11.137 1.00 0.00 O ATOM 709 CB PHE A 44 1.184 29.380 -8.920 1.00 0.00 C ATOM 710 CG PHE A 44 1.502 27.904 -9.148 1.00 0.00 C ATOM 711 CD1 PHE A 44 2.829 27.437 -9.098 1.00 0.00 C ATOM 712 CD2 PHE A 44 0.462 26.964 -9.290 1.00 0.00 C ATOM 713 CE1 PHE A 44 3.125 26.070 -9.206 1.00 0.00 C ATOM 714 CE2 PHE A 44 0.754 25.592 -9.416 1.00 0.00 C ATOM 715 CZ PHE A 44 2.085 25.143 -9.375 1.00 0.00 C ATOM 0 H PHE A 44 1.596 29.584 -11.882 1.00 0.00 H new ATOM 0 HA PHE A 44 1.335 31.388 -9.590 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.610 29.664 -7.958 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.102 29.473 -8.829 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.635 28.145 -8.974 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.565 27.298 -9.302 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.150 25.732 -9.159 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.049 24.881 -9.545 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.306 24.090 -9.473 1.00 0.00 H new ATOM 725 N MET A 45 3.897 30.907 -9.089 1.00 0.00 N ATOM 726 CA MET A 45 5.356 30.901 -9.089 1.00 0.00 C ATOM 727 C MET A 45 5.855 29.602 -8.453 1.00 0.00 C ATOM 728 O MET A 45 5.239 29.103 -7.511 1.00 0.00 O ATOM 729 CB MET A 45 5.809 32.122 -8.271 1.00 0.00 C ATOM 730 CG MET A 45 7.323 32.259 -8.114 1.00 0.00 C ATOM 731 SD MET A 45 7.782 33.580 -6.965 1.00 0.00 S ATOM 732 CE MET A 45 9.576 33.389 -7.041 1.00 0.00 C ATOM 0 H MET A 45 3.486 31.294 -8.240 1.00 0.00 H new ATOM 0 HA MET A 45 5.761 30.955 -10.100 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.424 33.024 -8.746 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.358 32.066 -7.280 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.736 31.314 -7.760 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.770 32.457 -9.088 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.031 33.881 -6.181 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.830 32.329 -7.029 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.952 33.841 -7.959 1.00 0.00 H new ATOM 742 N GLY A 46 6.989 29.064 -8.900 1.00 0.00 N ATOM 743 CA GLY A 46 7.613 27.923 -8.265 1.00 0.00 C ATOM 744 C GLY A 46 9.106 27.916 -8.529 1.00 0.00 C ATOM 745 O GLY A 46 9.645 28.785 -9.219 1.00 0.00 O ATOM 0 H GLY A 46 7.495 29.413 -9.714 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.428 27.951 -7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.167 27.002 -8.641 1.00 0.00 H new ATOM 749 N LYS A 47 9.786 26.939 -7.945 1.00 0.00 N ATOM 750 CA LYS A 47 11.173 26.643 -8.270 1.00 0.00 C ATOM 751 C LYS A 47 11.150 25.415 -9.174 1.00 0.00 C ATOM 752 O LYS A 47 10.579 24.386 -8.805 1.00 0.00 O ATOM 753 CB LYS A 47 11.987 26.379 -6.988 1.00 0.00 C ATOM 754 CG LYS A 47 13.506 26.413 -7.234 1.00 0.00 C ATOM 755 CD LYS A 47 14.068 27.832 -7.444 1.00 0.00 C ATOM 756 CE LYS A 47 14.078 28.654 -6.145 1.00 0.00 C ATOM 757 NZ LYS A 47 14.840 29.921 -6.289 1.00 0.00 N ATOM 0 H LYS A 47 9.390 26.328 -7.231 1.00 0.00 H new ATOM 0 HA LYS A 47 11.652 27.483 -8.773 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.727 27.125 -6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.710 25.407 -6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.013 25.953 -6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.737 25.807 -8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.083 27.764 -7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.470 28.350 -8.194 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.053 28.880 -5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.515 28.058 -5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.589 30.567 -5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.860 29.719 -6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.605 30.366 -7.199 1.00 0.00 H new ATOM 771 N TRP A 48 11.753 25.517 -10.355 1.00 0.00 N ATOM 772 CA TRP A 48 11.998 24.372 -11.212 1.00 0.00 C ATOM 773 C TRP A 48 13.262 23.734 -10.646 1.00 0.00 C ATOM 774 O TRP A 48 14.364 24.262 -10.809 1.00 0.00 O ATOM 775 CB TRP A 48 12.148 24.812 -12.680 1.00 0.00 C ATOM 776 CG TRP A 48 12.245 23.726 -13.714 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.276 22.397 -13.471 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.300 23.848 -15.173 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.375 21.697 -14.650 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.409 22.540 -15.738 1.00 0.00 C ATOM 781 CE3 TRP A 48 12.256 24.929 -16.080 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.490 22.321 -17.122 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.316 24.722 -17.473 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.438 23.421 -17.994 1.00 0.00 C ATOM 0 H TRP A 48 12.085 26.401 -10.741 1.00 0.00 H new ATOM 0 HA TRP A 48 11.174 23.658 -11.221 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.297 25.444 -12.932 1.00 0.00 H new ATOM 0 HB3 TRP A 48 13.040 25.433 -12.757 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.230 21.948 -12.490 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.418 20.680 -14.711 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.175 25.936 -15.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 12.591 21.319 -17.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 12.268 25.567 -18.144 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.492 23.268 -19.062 1.00 0.00 H new ATOM 795 N LYS A 49 13.094 22.634 -9.918 1.00 0.00 N ATOM 796 CA LYS A 49 14.144 21.788 -9.371 1.00 0.00 C ATOM 797 C LYS A 49 14.470 20.755 -10.456 1.00 0.00 C ATOM 798 O LYS A 49 14.159 19.568 -10.332 1.00 0.00 O ATOM 799 CB LYS A 49 13.616 21.149 -8.072 1.00 0.00 C ATOM 800 CG LYS A 49 13.449 22.186 -6.946 1.00 0.00 C ATOM 801 CD LYS A 49 12.726 21.628 -5.712 1.00 0.00 C ATOM 802 CE LYS A 49 13.491 20.469 -5.054 1.00 0.00 C ATOM 803 NZ LYS A 49 12.844 20.005 -3.801 1.00 0.00 N ATOM 0 H LYS A 49 12.163 22.291 -9.681 1.00 0.00 H new ATOM 0 HA LYS A 49 15.054 22.330 -9.114 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.657 20.669 -8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.303 20.368 -7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 49 14.432 22.551 -6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.893 23.042 -7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.588 22.427 -4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.733 21.285 -6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.558 19.637 -5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.511 20.787 -4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.396 19.223 -3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.802 20.790 -3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.880 19.676 -4.009 1.00 0.00 H new ATOM 817 N LYS A 50 14.987 21.243 -11.582 1.00 0.00 N ATOM 818 CA LYS A 50 15.255 20.430 -12.763 1.00 0.00 C ATOM 819 C LYS A 50 16.305 19.390 -12.389 1.00 0.00 C ATOM 820 O LYS A 50 17.307 19.758 -11.779 1.00 0.00 O ATOM 821 CB LYS A 50 15.736 21.342 -13.904 1.00 0.00 C ATOM 822 CG LYS A 50 15.730 20.617 -15.257 1.00 0.00 C ATOM 823 CD LYS A 50 16.180 21.550 -16.388 1.00 0.00 C ATOM 824 CE LYS A 50 16.186 20.789 -17.721 1.00 0.00 C ATOM 825 NZ LYS A 50 16.633 21.636 -18.855 1.00 0.00 N ATOM 0 H LYS A 50 15.234 22.226 -11.700 1.00 0.00 H new ATOM 0 HA LYS A 50 14.357 19.916 -13.107 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.095 22.222 -13.961 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.744 21.696 -13.686 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.391 19.751 -15.212 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.728 20.243 -15.468 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.510 22.408 -16.452 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.176 21.938 -16.176 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.842 19.922 -17.638 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.184 20.412 -17.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.620 21.077 -19.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.993 22.450 -18.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.600 21.975 -18.675 1.00 0.00 H new ATOM 839 N LYS A 51 16.134 18.112 -12.743 1.00 0.00 N ATOM 840 CA LYS A 51 17.224 17.143 -12.590 1.00 0.00 C ATOM 841 C LYS A 51 18.457 17.669 -13.332 1.00 0.00 C ATOM 842 O LYS A 51 18.320 18.211 -14.433 1.00 0.00 O ATOM 843 CB LYS A 51 16.803 15.761 -13.117 1.00 0.00 C ATOM 844 CG LYS A 51 17.767 14.660 -12.635 1.00 0.00 C ATOM 845 CD LYS A 51 17.496 13.292 -13.283 1.00 0.00 C ATOM 846 CE LYS A 51 17.858 13.207 -14.777 1.00 0.00 C ATOM 847 NZ LYS A 51 19.298 13.447 -15.049 1.00 0.00 N ATOM 0 H LYS A 51 15.271 17.730 -13.129 1.00 0.00 H new ATOM 0 HA LYS A 51 17.465 17.023 -11.534 1.00 0.00 H new ATOM 0 HB2 LYS A 51 15.791 15.534 -12.781 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.781 15.776 -14.207 1.00 0.00 H new ATOM 0 HG2 LYS A 51 18.791 14.962 -12.853 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.687 14.564 -11.552 1.00 0.00 H new ATOM 0 HD2 LYS A 51 18.059 12.531 -12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.439 13.052 -13.164 1.00 0.00 H new ATOM 0 HE2 LYS A 51 17.584 12.222 -15.154 1.00 0.00 H new ATOM 0 HE3 LYS A 51 17.265 13.936 -15.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.561 12.997 -15.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 19.474 14.470 -15.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.869 13.042 -14.279 1.00 0.00 H new ATOM 861 N SER A 52 19.648 17.491 -12.763 1.00 0.00 N ATOM 862 CA SER A 52 20.902 17.804 -13.433 1.00 0.00 C ATOM 863 C SER A 52 20.988 17.106 -14.791 1.00 0.00 C ATOM 864 O SER A 52 20.432 16.020 -14.993 1.00 0.00 O ATOM 865 CB SER A 52 22.075 17.424 -12.529 1.00 0.00 C ATOM 866 OG SER A 52 22.005 18.120 -11.299 1.00 0.00 O ATOM 0 H SER A 52 19.767 17.123 -11.819 1.00 0.00 H new ATOM 0 HA SER A 52 20.946 18.876 -13.624 1.00 0.00 H new ATOM 0 HB2 SER A 52 22.066 16.350 -12.346 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.016 17.654 -13.030 1.00 0.00 H new ATOM 0 HG SER A 52 22.329 19.037 -11.423 1.00 0.00 H new ATOM 872 N ARG A 53 21.701 17.745 -15.724 1.00 0.00 N ATOM 873 CA ARG A 53 21.839 17.303 -17.113 1.00 0.00 C ATOM 874 C ARG A 53 22.421 15.888 -17.206 1.00 0.00 C ATOM 875 O ARG A 53 22.059 15.134 -18.109 1.00 0.00 O ATOM 876 CB ARG A 53 22.692 18.350 -17.850 1.00 0.00 C ATOM 877 CG ARG A 53 22.746 18.122 -19.369 1.00 0.00 C ATOM 878 CD ARG A 53 23.557 19.228 -20.055 1.00 0.00 C ATOM 879 NE ARG A 53 23.630 19.023 -21.513 1.00 0.00 N ATOM 880 CZ ARG A 53 24.317 19.784 -22.375 1.00 0.00 C ATOM 881 NH1 ARG A 53 25.018 20.833 -21.946 1.00 0.00 N ATOM 882 NH2 ARG A 53 24.301 19.490 -23.671 1.00 0.00 N ATOM 0 H ARG A 53 22.211 18.606 -15.528 1.00 0.00 H new ATOM 0 HA ARG A 53 20.861 17.234 -17.589 1.00 0.00 H new ATOM 0 HB2 ARG A 53 22.289 19.343 -17.652 1.00 0.00 H new ATOM 0 HB3 ARG A 53 23.706 18.331 -17.449 1.00 0.00 H new ATOM 0 HG2 ARG A 53 23.194 17.151 -19.580 1.00 0.00 H new ATOM 0 HG3 ARG A 53 21.735 18.101 -19.775 1.00 0.00 H new ATOM 0 HD2 ARG A 53 23.103 20.196 -19.846 1.00 0.00 H new ATOM 0 HD3 ARG A 53 24.564 19.252 -19.640 1.00 0.00 H new ATOM 0 HE ARG A 53 23.113 18.233 -21.899 1.00 0.00 H new ATOM 0 HH11 ARG A 53 25.035 21.063 -20.952 1.00 0.00 H new ATOM 0 HH12 ARG A 53 25.538 21.406 -22.611 1.00 0.00 H new ATOM 0 HH21 ARG A 53 23.767 18.688 -24.005 1.00 0.00 H new ATOM 0 HH22 ARG A 53 24.823 20.067 -24.331 1.00 0.00 H new ATOM 896 N LYS A 54 23.275 15.514 -16.252 1.00 0.00 N ATOM 897 CA LYS A 54 23.781 14.163 -16.028 1.00 0.00 C ATOM 898 C LYS A 54 23.702 13.916 -14.522 1.00 0.00 C ATOM 899 O LYS A 54 23.551 14.872 -13.756 1.00 0.00 O ATOM 900 CB LYS A 54 25.227 14.029 -16.547 1.00 0.00 C ATOM 901 CG LYS A 54 25.335 14.186 -18.072 1.00 0.00 C ATOM 902 CD LYS A 54 26.774 13.953 -18.553 1.00 0.00 C ATOM 903 CE LYS A 54 26.853 14.115 -20.077 1.00 0.00 C ATOM 904 NZ LYS A 54 28.225 13.891 -20.596 1.00 0.00 N ATOM 0 H LYS A 54 23.651 16.183 -15.580 1.00 0.00 H new ATOM 0 HA LYS A 54 23.191 13.423 -16.570 1.00 0.00 H new ATOM 0 HB2 LYS A 54 25.851 14.781 -16.065 1.00 0.00 H new ATOM 0 HB3 LYS A 54 25.622 13.055 -16.259 1.00 0.00 H new ATOM 0 HG2 LYS A 54 24.666 13.478 -18.561 1.00 0.00 H new ATOM 0 HG3 LYS A 54 25.009 15.185 -18.361 1.00 0.00 H new ATOM 0 HD2 LYS A 54 27.447 14.661 -18.069 1.00 0.00 H new ATOM 0 HD3 LYS A 54 27.104 12.954 -18.268 1.00 0.00 H new ATOM 0 HE2 LYS A 54 26.168 13.412 -20.551 1.00 0.00 H new ATOM 0 HE3 LYS A 54 26.522 15.117 -20.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 28.229 14.011 -21.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 28.876 14.578 -20.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 28.533 12.926 -20.358 1.00 0.00 H new ATOM 918 N THR A 55 23.842 12.659 -14.092 1.00 0.00 N ATOM 919 CA THR A 55 23.610 12.245 -12.703 1.00 0.00 C ATOM 920 C THR A 55 22.144 12.554 -12.304 1.00 0.00 C ATOM 921 O THR A 55 21.310 12.867 -13.164 1.00 0.00 O ATOM 922 CB THR A 55 24.724 12.846 -11.794 1.00 0.00 C ATOM 923 OG1 THR A 55 25.992 12.739 -12.428 1.00 0.00 O ATOM 924 CG2 THR A 55 24.891 12.153 -10.433 1.00 0.00 C ATOM 0 H THR A 55 24.122 11.892 -14.703 1.00 0.00 H new ATOM 0 HA THR A 55 23.700 11.167 -12.572 1.00 0.00 H new ATOM 0 HB THR A 55 24.402 13.875 -11.632 1.00 0.00 H new ATOM 0 HG1 THR A 55 26.682 13.122 -11.847 1.00 0.00 H new ATOM 0 HG21 THR A 55 25.688 12.640 -9.872 1.00 0.00 H new ATOM 0 HG22 THR A 55 23.959 12.222 -9.873 1.00 0.00 H new ATOM 0 HG23 THR A 55 25.145 11.104 -10.587 1.00 0.00 H new ATOM 932 N SER A 56 21.799 12.424 -11.020 1.00 0.00 N ATOM 933 CA SER A 56 20.433 12.541 -10.503 1.00 0.00 C ATOM 934 C SER A 56 20.333 13.636 -9.427 1.00 0.00 C ATOM 935 O SER A 56 19.424 13.625 -8.594 1.00 0.00 O ATOM 936 CB SER A 56 19.966 11.165 -10.000 1.00 0.00 C ATOM 937 OG SER A 56 20.157 10.166 -10.994 1.00 0.00 O ATOM 0 H SER A 56 22.484 12.228 -10.290 1.00 0.00 H new ATOM 0 HA SER A 56 19.763 12.854 -11.304 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.518 10.897 -9.099 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.912 11.213 -9.726 1.00 0.00 H new ATOM 0 HG SER A 56 19.854 9.300 -10.650 1.00 0.00 H new ATOM 943 N THR A 57 21.283 14.573 -9.430 1.00 0.00 N ATOM 944 CA THR A 57 21.266 15.791 -8.630 1.00 0.00 C ATOM 945 C THR A 57 20.211 16.772 -9.187 1.00 0.00 C ATOM 946 O THR A 57 19.437 16.426 -10.088 1.00 0.00 O ATOM 947 CB THR A 57 22.709 16.347 -8.598 1.00 0.00 C ATOM 948 OG1 THR A 57 23.345 16.221 -9.856 1.00 0.00 O ATOM 949 CG2 THR A 57 23.564 15.570 -7.590 1.00 0.00 C ATOM 0 H THR A 57 22.116 14.498 -10.014 1.00 0.00 H new ATOM 0 HA THR A 57 20.963 15.607 -7.599 1.00 0.00 H new ATOM 0 HB THR A 57 22.627 17.398 -8.321 1.00 0.00 H new ATOM 0 HG1 THR A 57 23.068 16.959 -10.438 1.00 0.00 H new ATOM 0 HG21 THR A 57 24.576 15.976 -7.582 1.00 0.00 H new ATOM 0 HG22 THR A 57 23.128 15.663 -6.595 1.00 0.00 H new ATOM 0 HG23 THR A 57 23.597 14.518 -7.875 1.00 0.00 H new ATOM 957 N ILE A 58 20.146 17.990 -8.641 1.00 0.00 N ATOM 958 CA ILE A 58 19.106 18.973 -8.926 1.00 0.00 C ATOM 959 C ILE A 58 19.806 20.296 -9.254 1.00 0.00 C ATOM 960 O ILE A 58 20.801 20.669 -8.627 1.00 0.00 O ATOM 961 CB ILE A 58 18.155 19.072 -7.704 1.00 0.00 C ATOM 962 CG1 ILE A 58 17.378 17.759 -7.438 1.00 0.00 C ATOM 963 CG2 ILE A 58 17.168 20.250 -7.793 1.00 0.00 C ATOM 964 CD1 ILE A 58 16.300 17.398 -8.469 1.00 0.00 C ATOM 0 H ILE A 58 20.837 18.325 -7.970 1.00 0.00 H new ATOM 0 HA ILE A 58 18.488 18.692 -9.779 1.00 0.00 H new ATOM 0 HB ILE A 58 18.819 19.256 -6.860 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.095 16.939 -7.388 1.00 0.00 H new ATOM 0 HG13 ILE A 58 16.907 17.831 -6.458 1.00 0.00 H new ATOM 0 HG21 ILE A 58 16.533 20.260 -6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.723 21.186 -7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 58 16.548 20.139 -8.682 1.00 0.00 H new ATOM 0 HD11 ILE A 58 15.822 16.461 -8.182 1.00 0.00 H new ATOM 0 HD12 ILE A 58 15.553 18.191 -8.507 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.759 17.285 -9.451 1.00 0.00 H new ATOM 976 N GLU A 59 19.237 21.009 -10.220 1.00 0.00 N ATOM 977 CA GLU A 59 19.551 22.375 -10.597 1.00 0.00 C ATOM 978 C GLU A 59 18.296 23.177 -10.236 1.00 0.00 C ATOM 979 O GLU A 59 17.189 22.635 -10.290 1.00 0.00 O ATOM 980 CB GLU A 59 19.847 22.483 -12.103 1.00 0.00 C ATOM 981 CG GLU A 59 20.925 21.502 -12.580 1.00 0.00 C ATOM 982 CD GLU A 59 22.291 21.639 -11.887 1.00 0.00 C ATOM 983 OE1 GLU A 59 22.775 22.774 -11.668 1.00 0.00 O ATOM 984 OE2 GLU A 59 22.915 20.590 -11.610 1.00 0.00 O ATOM 0 H GLU A 59 18.493 20.617 -10.798 1.00 0.00 H new ATOM 0 HA GLU A 59 20.441 22.742 -10.086 1.00 0.00 H new ATOM 0 HB2 GLU A 59 18.928 22.302 -12.661 1.00 0.00 H new ATOM 0 HB3 GLU A 59 20.164 23.500 -12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.560 20.486 -12.430 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.065 21.635 -13.653 1.00 0.00 H new ATOM 991 N GLU A 60 18.426 24.451 -9.870 1.00 0.00 N ATOM 992 CA GLU A 60 17.310 25.227 -9.335 1.00 0.00 C ATOM 993 C GLU A 60 17.182 26.529 -10.115 1.00 0.00 C ATOM 994 O GLU A 60 18.150 27.287 -10.228 1.00 0.00 O ATOM 995 CB GLU A 60 17.519 25.486 -7.835 1.00 0.00 C ATOM 996 CG GLU A 60 17.393 24.194 -7.021 1.00 0.00 C ATOM 997 CD GLU A 60 17.543 24.457 -5.513 1.00 0.00 C ATOM 998 OE1 GLU A 60 16.527 24.717 -4.829 1.00 0.00 O ATOM 999 OE2 GLU A 60 18.679 24.396 -4.990 1.00 0.00 O ATOM 0 H GLU A 60 19.301 24.971 -9.935 1.00 0.00 H new ATOM 0 HA GLU A 60 16.382 24.667 -9.446 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.504 25.925 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 60 16.785 26.212 -7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.424 23.734 -7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.154 23.484 -7.344 1.00 0.00 H new ATOM 1006 N LYS A 61 15.983 26.791 -10.645 1.00 0.00 N ATOM 1007 CA LYS A 61 15.689 27.985 -11.436 1.00 0.00 C ATOM 1008 C LYS A 61 14.327 28.516 -11.010 1.00 0.00 C ATOM 1009 O LYS A 61 13.378 27.742 -10.894 1.00 0.00 O ATOM 1010 CB LYS A 61 15.737 27.595 -12.924 1.00 0.00 C ATOM 1011 CG LYS A 61 15.518 28.785 -13.872 1.00 0.00 C ATOM 1012 CD LYS A 61 15.876 28.441 -15.328 1.00 0.00 C ATOM 1013 CE LYS A 61 14.992 27.327 -15.913 1.00 0.00 C ATOM 1014 NZ LYS A 61 15.392 26.964 -17.298 1.00 0.00 N ATOM 0 H LYS A 61 15.181 26.171 -10.534 1.00 0.00 H new ATOM 0 HA LYS A 61 16.418 28.779 -11.275 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.703 27.139 -13.142 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.976 26.839 -13.119 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.476 29.101 -13.821 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.124 29.628 -13.540 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.778 29.336 -15.942 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.920 28.133 -15.377 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.053 26.445 -15.276 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.951 27.652 -15.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.770 26.210 -17.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.310 27.799 -17.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.377 26.629 -17.298 1.00 0.00 H new ATOM 1028 N THR A 62 14.225 29.809 -10.725 1.00 0.00 N ATOM 1029 CA THR A 62 12.984 30.426 -10.278 1.00 0.00 C ATOM 1030 C THR A 62 12.089 30.661 -11.495 1.00 0.00 C ATOM 1031 O THR A 62 12.533 31.230 -12.497 1.00 0.00 O ATOM 1032 CB THR A 62 13.320 31.723 -9.533 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.390 31.492 -8.631 1.00 0.00 O ATOM 1034 CG2 THR A 62 12.126 32.191 -8.711 1.00 0.00 C ATOM 0 H THR A 62 15.006 30.461 -10.798 1.00 0.00 H new ATOM 0 HA THR A 62 12.440 29.781 -9.588 1.00 0.00 H new ATOM 0 HB THR A 62 13.587 32.477 -10.274 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.604 32.323 -8.157 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.383 33.113 -8.189 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.278 32.372 -9.372 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.862 31.424 -7.983 1.00 0.00 H new ATOM 1042 N VAL A 63 10.826 30.240 -11.422 1.00 0.00 N ATOM 1043 CA VAL A 63 9.951 30.205 -12.580 1.00 0.00 C ATOM 1044 C VAL A 63 8.521 30.594 -12.225 1.00 0.00 C ATOM 1045 O VAL A 63 8.091 30.528 -11.073 1.00 0.00 O ATOM 1046 CB VAL A 63 9.956 28.794 -13.202 1.00 0.00 C ATOM 1047 CG1 VAL A 63 11.304 28.393 -13.815 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.536 27.698 -12.209 1.00 0.00 C ATOM 0 H VAL A 63 10.388 29.916 -10.560 1.00 0.00 H new ATOM 0 HA VAL A 63 10.331 30.932 -13.297 1.00 0.00 H new ATOM 0 HB VAL A 63 9.217 28.867 -14.000 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.230 27.389 -14.232 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.568 29.096 -14.605 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.074 28.409 -13.043 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.559 26.728 -12.706 1.00 0.00 H new ATOM 0 HG22 VAL A 63 10.225 27.689 -11.364 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.526 27.898 -11.852 1.00 0.00 H new ATOM 1058 N GLU A 64 7.775 30.969 -13.252 1.00 0.00 N ATOM 1059 CA GLU A 64 6.338 31.165 -13.217 1.00 0.00 C ATOM 1060 C GLU A 64 5.767 30.030 -14.063 1.00 0.00 C ATOM 1061 O GLU A 64 6.160 29.875 -15.220 1.00 0.00 O ATOM 1062 CB GLU A 64 5.981 32.554 -13.770 1.00 0.00 C ATOM 1063 CG GLU A 64 4.465 32.795 -13.747 1.00 0.00 C ATOM 1064 CD GLU A 64 4.119 34.253 -14.099 1.00 0.00 C ATOM 1065 OE1 GLU A 64 4.143 34.624 -15.294 1.00 0.00 O ATOM 1066 OE2 GLU A 64 3.806 35.043 -13.180 1.00 0.00 O ATOM 0 H GLU A 64 8.174 31.153 -14.172 1.00 0.00 H new ATOM 0 HA GLU A 64 5.925 31.138 -12.209 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.482 33.322 -13.180 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.350 32.646 -14.792 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.978 32.124 -14.454 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.073 32.555 -12.759 1.00 0.00 H new ATOM 1073 N VAL A 65 4.893 29.203 -13.491 1.00 0.00 N ATOM 1074 CA VAL A 65 4.129 28.228 -14.266 1.00 0.00 C ATOM 1075 C VAL A 65 2.914 28.949 -14.844 1.00 0.00 C ATOM 1076 O VAL A 65 2.277 29.752 -14.156 1.00 0.00 O ATOM 1077 CB VAL A 65 3.749 26.954 -13.476 1.00 0.00 C ATOM 1078 CG1 VAL A 65 4.942 26.392 -12.685 1.00 0.00 C ATOM 1079 CG2 VAL A 65 2.524 27.078 -12.563 1.00 0.00 C ATOM 0 H VAL A 65 4.696 29.189 -12.490 1.00 0.00 H new ATOM 0 HA VAL A 65 4.758 27.845 -15.070 1.00 0.00 H new ATOM 0 HB VAL A 65 3.459 26.251 -14.257 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.631 25.498 -12.145 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.748 26.138 -13.374 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.293 27.141 -11.975 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.349 26.128 -12.059 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.701 27.856 -11.820 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.650 27.339 -13.160 1.00 0.00 H new ATOM 1089 N LEU A 66 2.575 28.647 -16.095 1.00 0.00 N ATOM 1090 CA LEU A 66 1.463 29.281 -16.795 1.00 0.00 C ATOM 1091 C LEU A 66 0.199 28.424 -16.692 1.00 0.00 C ATOM 1092 O LEU A 66 -0.903 28.938 -16.885 1.00 0.00 O ATOM 1093 CB LEU A 66 1.818 29.541 -18.273 1.00 0.00 C ATOM 1094 CG LEU A 66 2.949 30.552 -18.560 1.00 0.00 C ATOM 1095 CD1 LEU A 66 2.786 31.865 -17.784 1.00 0.00 C ATOM 1096 CD2 LEU A 66 4.349 29.985 -18.298 1.00 0.00 C ATOM 0 H LEU A 66 3.068 27.951 -16.654 1.00 0.00 H new ATOM 0 HA LEU A 66 1.269 30.241 -16.317 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.093 28.589 -18.727 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.918 29.888 -18.781 1.00 0.00 H new ATOM 0 HG LEU A 66 2.857 30.760 -19.626 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.610 32.536 -18.026 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.842 32.336 -18.059 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.789 31.658 -16.714 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.097 30.746 -18.519 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.432 29.688 -17.252 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.515 29.117 -18.936 1.00 0.00 H new ATOM 1108 N GLY A 67 0.341 27.133 -16.384 1.00 0.00 N ATOM 1109 CA GLY A 67 -0.739 26.170 -16.336 1.00 0.00 C ATOM 1110 C GLY A 67 -0.175 24.785 -16.605 1.00 0.00 C ATOM 1111 O GLY A 67 0.999 24.638 -16.961 1.00 0.00 O ATOM 0 H GLY A 67 1.247 26.724 -16.155 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.225 26.196 -15.361 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.499 26.418 -17.077 1.00 0.00 H new ATOM 1115 N MET A 68 -1.003 23.760 -16.427 1.00 0.00 N ATOM 1116 CA MET A 68 -0.653 22.412 -16.863 1.00 0.00 C ATOM 1117 C MET A 68 -0.542 22.388 -18.389 1.00 0.00 C ATOM 1118 O MET A 68 -1.206 23.161 -19.089 1.00 0.00 O ATOM 1119 CB MET A 68 -1.659 21.373 -16.356 1.00 0.00 C ATOM 1120 CG MET A 68 -1.512 21.185 -14.843 1.00 0.00 C ATOM 1121 SD MET A 68 -2.598 19.916 -14.149 1.00 0.00 S ATOM 1122 CE MET A 68 -1.580 18.448 -14.447 1.00 0.00 C ATOM 0 H MET A 68 -1.919 23.837 -15.985 1.00 0.00 H new ATOM 0 HA MET A 68 0.311 22.143 -16.433 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.674 21.694 -16.593 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.498 20.423 -16.865 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.477 20.925 -14.619 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.717 22.134 -14.348 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.100 17.564 -14.078 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.398 18.342 -15.517 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.628 18.553 -13.926 1.00 0.00 H new ATOM 1132 N ALA A 69 0.303 21.491 -18.897 1.00 0.00 N ATOM 1133 CA ALA A 69 0.413 21.217 -20.324 1.00 0.00 C ATOM 1134 C ALA A 69 -0.913 20.637 -20.863 1.00 0.00 C ATOM 1135 O ALA A 69 -1.762 20.218 -20.068 1.00 0.00 O ATOM 1136 CB ALA A 69 1.573 20.242 -20.544 1.00 0.00 C ATOM 0 H ALA A 69 0.934 20.932 -18.323 1.00 0.00 H new ATOM 0 HA ALA A 69 0.611 22.140 -20.869 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.670 20.026 -21.608 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.498 20.689 -20.179 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.378 19.317 -20.002 1.00 0.00 H new ATOM 1142 N PRO A 70 -1.107 20.578 -22.194 1.00 0.00 N ATOM 1143 CA PRO A 70 -2.226 19.871 -22.803 1.00 0.00 C ATOM 1144 C PRO A 70 -2.362 18.428 -22.306 1.00 0.00 C ATOM 1145 O PRO A 70 -1.377 17.777 -21.936 1.00 0.00 O ATOM 1146 CB PRO A 70 -1.968 19.910 -24.314 1.00 0.00 C ATOM 1147 CG PRO A 70 -1.136 21.176 -24.494 1.00 0.00 C ATOM 1148 CD PRO A 70 -0.287 21.199 -23.225 1.00 0.00 C ATOM 0 HA PRO A 70 -3.167 20.350 -22.533 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.431 19.024 -24.654 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.898 19.956 -24.880 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.521 21.133 -25.393 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.762 22.064 -24.579 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.645 20.652 -23.367 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.019 22.219 -22.951 1.00 0.00 H new ATOM 1156 N ASP A 71 -3.583 17.896 -22.397 1.00 0.00 N ATOM 1157 CA ASP A 71 -3.888 16.500 -22.087 1.00 0.00 C ATOM 1158 C ASP A 71 -3.045 15.534 -22.922 1.00 0.00 C ATOM 1159 O ASP A 71 -2.709 14.454 -22.444 1.00 0.00 O ATOM 1160 CB ASP A 71 -5.381 16.200 -22.285 1.00 0.00 C ATOM 1161 CG ASP A 71 -5.763 15.939 -23.754 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -5.833 16.911 -24.539 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -6.029 14.773 -24.122 1.00 0.00 O ATOM 0 H ASP A 71 -4.399 18.432 -22.693 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.636 16.348 -21.037 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.652 15.330 -21.687 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.966 17.040 -21.909 1.00 0.00 H new ATOM 1168 N ASP A 72 -2.651 15.935 -24.135 1.00 0.00 N ATOM 1169 CA ASP A 72 -1.833 15.121 -25.032 1.00 0.00 C ATOM 1170 C ASP A 72 -0.473 14.790 -24.421 1.00 0.00 C ATOM 1171 O ASP A 72 0.068 13.709 -24.659 1.00 0.00 O ATOM 1172 CB ASP A 72 -1.638 15.843 -26.369 1.00 0.00 C ATOM 1173 CG ASP A 72 -0.747 15.022 -27.317 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -1.211 13.984 -27.840 1.00 0.00 O ATOM 1175 OD2 ASP A 72 0.406 15.431 -27.577 1.00 0.00 O ATOM 0 H ASP A 72 -2.896 16.846 -24.524 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.363 14.183 -25.195 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.607 16.018 -26.836 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.187 16.820 -26.196 1.00 0.00 H new ATOM 1180 N GLU A 73 0.068 15.692 -23.601 1.00 0.00 N ATOM 1181 CA GLU A 73 1.315 15.465 -22.879 1.00 0.00 C ATOM 1182 C GLU A 73 1.003 14.857 -21.513 1.00 0.00 C ATOM 1183 O GLU A 73 1.684 13.921 -21.086 1.00 0.00 O ATOM 1184 CB GLU A 73 2.106 16.777 -22.748 1.00 0.00 C ATOM 1185 CG GLU A 73 2.587 17.271 -24.121 1.00 0.00 C ATOM 1186 CD GLU A 73 3.568 18.450 -24.010 1.00 0.00 C ATOM 1187 OE1 GLU A 73 4.771 18.220 -23.749 1.00 0.00 O ATOM 1188 OE2 GLU A 73 3.157 19.610 -24.237 1.00 0.00 O ATOM 0 H GLU A 73 -0.351 16.604 -23.420 1.00 0.00 H new ATOM 0 HA GLU A 73 1.939 14.765 -23.434 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.480 17.538 -22.283 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.963 16.625 -22.092 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.069 16.450 -24.651 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.726 17.573 -24.717 1.00 0.00 H new ATOM 1195 N CYS A 74 -0.076 15.305 -20.859 1.00 0.00 N ATOM 1196 CA CYS A 74 -0.457 14.824 -19.533 1.00 0.00 C ATOM 1197 C CYS A 74 -0.962 13.369 -19.508 1.00 0.00 C ATOM 1198 O CYS A 74 -1.424 12.892 -18.473 1.00 0.00 O ATOM 1199 CB CYS A 74 -1.426 15.792 -18.850 1.00 0.00 C ATOM 1200 SG CYS A 74 -0.652 17.428 -18.697 1.00 0.00 S ATOM 0 H CYS A 74 -0.707 16.011 -21.238 1.00 0.00 H new ATOM 0 HA CYS A 74 0.463 14.802 -18.948 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.347 15.868 -19.428 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.698 15.414 -17.864 1.00 0.00 H new ATOM 0 HG CYS A 74 -1.348 18.301 -19.363 1.00 0.00 H new ATOM 1206 N LEU A 75 -0.881 12.658 -20.634 1.00 0.00 N ATOM 1207 CA LEU A 75 -1.112 11.221 -20.748 1.00 0.00 C ATOM 1208 C LEU A 75 0.114 10.410 -20.308 1.00 0.00 C ATOM 1209 O LEU A 75 -0.025 9.214 -20.054 1.00 0.00 O ATOM 1210 CB LEU A 75 -1.442 10.872 -22.214 1.00 0.00 C ATOM 1211 CG LEU A 75 -2.932 11.049 -22.563 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -3.109 11.108 -24.082 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -3.783 9.906 -21.996 1.00 0.00 C ATOM 0 H LEU A 75 -0.642 13.088 -21.528 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.944 10.964 -20.093 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.844 11.502 -22.873 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.151 9.840 -22.409 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.269 11.983 -22.113 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.165 11.233 -24.321 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.544 11.950 -24.482 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.744 10.182 -24.527 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.828 10.064 -22.262 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.442 8.958 -22.412 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.684 9.883 -20.911 1.00 0.00 H new ATOM 1225 N LYS A 76 1.305 11.023 -20.234 1.00 0.00 N ATOM 1226 CA LYS A 76 2.569 10.302 -20.044 1.00 0.00 C ATOM 1227 C LYS A 76 3.280 10.676 -18.747 1.00 0.00 C ATOM 1228 O LYS A 76 3.995 9.845 -18.189 1.00 0.00 O ATOM 1229 CB LYS A 76 3.491 10.563 -21.249 1.00 0.00 C ATOM 1230 CG LYS A 76 2.876 10.114 -22.589 1.00 0.00 C ATOM 1231 CD LYS A 76 2.583 11.285 -23.538 1.00 0.00 C ATOM 1232 CE LYS A 76 2.012 10.744 -24.857 1.00 0.00 C ATOM 1233 NZ LYS A 76 1.758 11.821 -25.845 1.00 0.00 N ATOM 0 H LYS A 76 1.417 12.034 -20.305 1.00 0.00 H new ATOM 0 HA LYS A 76 2.331 9.241 -19.971 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.720 11.627 -21.300 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.435 10.041 -21.096 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.556 9.418 -23.079 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.951 9.572 -22.394 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.874 11.972 -23.077 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.496 11.850 -23.729 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.708 10.021 -25.282 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.082 10.211 -24.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.149 11.458 -26.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.285 12.619 -25.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.661 12.142 -26.248 1.00 0.00 H new ATOM 1247 N ASP A 77 3.083 11.894 -18.252 1.00 0.00 N ATOM 1248 CA ASP A 77 3.594 12.394 -16.971 1.00 0.00 C ATOM 1249 C ASP A 77 2.735 13.616 -16.633 1.00 0.00 C ATOM 1250 O ASP A 77 1.974 14.063 -17.492 1.00 0.00 O ATOM 1251 CB ASP A 77 5.081 12.789 -17.090 1.00 0.00 C ATOM 1252 CG ASP A 77 5.839 12.699 -15.756 1.00 0.00 C ATOM 1253 OD1 ASP A 77 5.364 13.255 -14.745 1.00 0.00 O ATOM 1254 OD2 ASP A 77 6.930 12.082 -15.735 1.00 0.00 O ATOM 0 H ASP A 77 2.538 12.595 -18.753 1.00 0.00 H new ATOM 0 HA ASP A 77 3.536 11.633 -16.193 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.565 12.141 -17.820 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.150 13.807 -17.472 1.00 0.00 H new ATOM 1259 N MET A 78 2.812 14.180 -15.430 1.00 0.00 N ATOM 1260 CA MET A 78 2.174 15.468 -15.164 1.00 0.00 C ATOM 1261 C MET A 78 3.144 16.548 -15.635 1.00 0.00 C ATOM 1262 O MET A 78 4.306 16.547 -15.224 1.00 0.00 O ATOM 1263 CB MET A 78 1.834 15.628 -13.676 1.00 0.00 C ATOM 1264 CG MET A 78 0.707 14.691 -13.225 1.00 0.00 C ATOM 1265 SD MET A 78 -0.895 14.892 -14.061 1.00 0.00 S ATOM 1266 CE MET A 78 -0.865 13.453 -15.167 1.00 0.00 C ATOM 0 H MET A 78 3.302 13.773 -14.634 1.00 0.00 H new ATOM 0 HA MET A 78 1.227 15.545 -15.698 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.725 15.431 -13.080 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.543 16.660 -13.483 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.040 13.663 -13.367 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.554 14.831 -12.155 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.433 13.676 -16.070 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.166 13.221 -15.435 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.310 12.596 -14.661 1.00 0.00 H new ATOM 1276 N TYR A 79 2.686 17.487 -16.466 1.00 0.00 N ATOM 1277 CA TYR A 79 3.535 18.503 -17.081 1.00 0.00 C ATOM 1278 C TYR A 79 2.901 19.881 -16.923 1.00 0.00 C ATOM 1279 O TYR A 79 1.680 20.006 -16.805 1.00 0.00 O ATOM 1280 CB TYR A 79 3.725 18.205 -18.578 1.00 0.00 C ATOM 1281 CG TYR A 79 4.574 17.009 -18.961 1.00 0.00 C ATOM 1282 CD1 TYR A 79 5.976 17.122 -18.992 1.00 0.00 C ATOM 1283 CD2 TYR A 79 3.959 15.826 -19.413 1.00 0.00 C ATOM 1284 CE1 TYR A 79 6.763 16.059 -19.470 1.00 0.00 C ATOM 1285 CE2 TYR A 79 4.737 14.765 -19.908 1.00 0.00 C ATOM 1286 CZ TYR A 79 6.147 14.874 -19.933 1.00 0.00 C ATOM 1287 OH TYR A 79 6.920 13.854 -20.401 1.00 0.00 O ATOM 0 H TYR A 79 1.704 17.562 -16.732 1.00 0.00 H new ATOM 0 HA TYR A 79 4.505 18.488 -16.583 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.738 18.070 -19.020 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.163 19.089 -19.042 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.450 18.029 -18.647 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.884 15.733 -19.379 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.839 16.148 -19.483 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.258 13.867 -20.269 1.00 0.00 H new ATOM 0 HH TYR A 79 6.346 13.110 -20.680 1.00 0.00 H new ATOM 1297 N VAL A 80 3.735 20.917 -16.976 1.00 0.00 N ATOM 1298 CA VAL A 80 3.352 22.306 -16.778 1.00 0.00 C ATOM 1299 C VAL A 80 4.138 23.171 -17.756 1.00 0.00 C ATOM 1300 O VAL A 80 5.324 22.931 -17.984 1.00 0.00 O ATOM 1301 CB VAL A 80 3.595 22.743 -15.313 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.504 22.210 -14.376 1.00 0.00 C ATOM 1303 CG2 VAL A 80 4.966 22.314 -14.754 1.00 0.00 C ATOM 0 H VAL A 80 4.731 20.804 -17.165 1.00 0.00 H new ATOM 0 HA VAL A 80 2.286 22.426 -16.970 1.00 0.00 H new ATOM 0 HB VAL A 80 3.570 23.832 -15.346 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.708 22.537 -13.356 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.534 22.593 -14.692 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.493 21.121 -14.412 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.062 22.656 -13.724 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.048 21.227 -14.785 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.759 22.754 -15.358 1.00 0.00 H new ATOM 1313 N GLU A 81 3.475 24.168 -18.336 1.00 0.00 N ATOM 1314 CA GLU A 81 4.125 25.207 -19.117 1.00 0.00 C ATOM 1315 C GLU A 81 4.757 26.144 -18.092 1.00 0.00 C ATOM 1316 O GLU A 81 4.126 26.473 -17.083 1.00 0.00 O ATOM 1317 CB GLU A 81 3.103 25.945 -19.992 1.00 0.00 C ATOM 1318 CG GLU A 81 2.536 25.042 -21.096 1.00 0.00 C ATOM 1319 CD GLU A 81 1.620 25.828 -22.051 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.430 26.042 -21.727 1.00 0.00 O ATOM 1321 OE2 GLU A 81 2.077 26.227 -23.146 1.00 0.00 O ATOM 0 H GLU A 81 2.463 24.275 -18.274 1.00 0.00 H new ATOM 0 HA GLU A 81 4.872 24.801 -19.799 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.288 26.311 -19.368 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.575 26.818 -20.444 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.355 24.597 -21.660 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.976 24.222 -20.646 1.00 0.00 H new ATOM 1328 N VAL A 82 5.990 26.579 -18.332 1.00 0.00 N ATOM 1329 CA VAL A 82 6.777 27.276 -17.326 1.00 0.00 C ATOM 1330 C VAL A 82 7.740 28.268 -17.982 1.00 0.00 C ATOM 1331 O VAL A 82 8.263 27.997 -19.061 1.00 0.00 O ATOM 1332 CB VAL A 82 7.462 26.177 -16.481 1.00 0.00 C ATOM 1333 CG1 VAL A 82 8.387 25.248 -17.283 1.00 0.00 C ATOM 1334 CG2 VAL A 82 8.244 26.754 -15.312 1.00 0.00 C ATOM 0 H VAL A 82 6.468 26.458 -19.225 1.00 0.00 H new ATOM 0 HA VAL A 82 6.168 27.897 -16.669 1.00 0.00 H new ATOM 0 HB VAL A 82 6.630 25.577 -16.111 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.826 24.507 -16.615 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.811 24.742 -18.058 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.180 25.835 -17.746 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.707 25.944 -14.749 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.018 27.424 -15.687 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.569 27.309 -14.661 1.00 0.00 H new ATOM 1344 N ALA A 83 7.985 29.414 -17.345 1.00 0.00 N ATOM 1345 CA ALA A 83 8.802 30.500 -17.873 1.00 0.00 C ATOM 1346 C ALA A 83 9.775 30.955 -16.791 1.00 0.00 C ATOM 1347 O ALA A 83 9.422 31.024 -15.613 1.00 0.00 O ATOM 1348 CB ALA A 83 7.904 31.661 -18.314 1.00 0.00 C ATOM 0 H ALA A 83 7.607 29.615 -16.419 1.00 0.00 H new ATOM 0 HA ALA A 83 9.364 30.156 -18.741 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.521 32.469 -18.707 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.219 31.317 -19.089 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.333 32.024 -17.460 1.00 0.00 H new ATOM 1354 N ASP A 84 11.007 31.248 -17.195 1.00 0.00 N ATOM 1355 CA ASP A 84 12.096 31.616 -16.293 1.00 0.00 C ATOM 1356 C ASP A 84 11.962 33.069 -15.844 1.00 0.00 C ATOM 1357 O ASP A 84 12.088 33.987 -16.658 1.00 0.00 O ATOM 1358 CB ASP A 84 13.435 31.398 -17.006 1.00 0.00 C ATOM 1359 CG ASP A 84 14.599 32.059 -16.268 1.00 0.00 C ATOM 1360 OD1 ASP A 84 14.733 31.836 -15.049 1.00 0.00 O ATOM 1361 OD2 ASP A 84 15.357 32.813 -16.921 1.00 0.00 O ATOM 0 H ASP A 84 11.283 31.236 -18.177 1.00 0.00 H new ATOM 0 HA ASP A 84 12.050 30.987 -15.404 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.626 30.329 -17.097 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.375 31.799 -18.018 1.00 0.00 H new ATOM 1366 N ILE A 85 11.731 33.276 -14.546 1.00 0.00 N ATOM 1367 CA ILE A 85 11.698 34.604 -13.935 1.00 0.00 C ATOM 1368 C ILE A 85 13.140 35.126 -13.786 1.00 0.00 C ATOM 1369 O ILE A 85 13.360 36.338 -13.803 1.00 0.00 O ATOM 1370 CB ILE A 85 10.960 34.554 -12.571 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.531 33.971 -12.691 1.00 0.00 C ATOM 1372 CG2 ILE A 85 10.839 35.948 -11.931 1.00 0.00 C ATOM 1373 CD1 ILE A 85 8.840 33.762 -11.333 1.00 0.00 C ATOM 0 H ILE A 85 11.560 32.519 -13.884 1.00 0.00 H new ATOM 0 HA ILE A 85 11.145 35.293 -14.574 1.00 0.00 H new ATOM 0 HB ILE A 85 11.570 33.903 -11.944 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.924 34.640 -13.300 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.579 33.017 -13.217 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.316 35.867 -10.978 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.834 36.360 -11.765 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.281 36.607 -12.596 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.843 33.351 -11.492 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.426 33.069 -10.729 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.761 34.717 -10.814 1.00 0.00 H new ATOM 1385 N GLY A 86 14.124 34.228 -13.647 1.00 0.00 N ATOM 1386 CA GLY A 86 15.513 34.559 -13.366 1.00 0.00 C ATOM 1387 C GLY A 86 16.127 35.485 -14.415 1.00 0.00 C ATOM 1388 O GLY A 86 16.916 36.362 -14.051 1.00 0.00 O ATOM 0 H GLY A 86 13.963 33.224 -13.731 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.577 35.034 -12.387 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.097 33.640 -13.313 1.00 0.00 H new ATOM 1392 N GLY A 87 15.750 35.342 -15.691 1.00 0.00 N ATOM 1393 CA GLY A 87 16.266 36.198 -16.747 1.00 0.00 C ATOM 1394 C GLY A 87 15.445 36.232 -18.033 1.00 0.00 C ATOM 1395 O GLY A 87 15.392 37.294 -18.656 1.00 0.00 O ATOM 0 H GLY A 87 15.086 34.636 -16.010 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.343 37.214 -16.360 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.277 35.872 -16.992 1.00 0.00 H new ATOM 1399 N LYS A 88 14.831 35.121 -18.473 1.00 0.00 N ATOM 1400 CA LYS A 88 14.228 35.094 -19.812 1.00 0.00 C ATOM 1401 C LYS A 88 13.007 36.009 -19.852 1.00 0.00 C ATOM 1402 O LYS A 88 12.893 36.809 -20.778 1.00 0.00 O ATOM 1403 CB LYS A 88 13.835 33.684 -20.286 1.00 0.00 C ATOM 1404 CG LYS A 88 14.917 32.588 -20.339 1.00 0.00 C ATOM 1405 CD LYS A 88 16.290 32.960 -20.929 1.00 0.00 C ATOM 1406 CE LYS A 88 17.273 33.639 -19.954 1.00 0.00 C ATOM 1407 NZ LYS A 88 17.533 32.848 -18.719 1.00 0.00 N ATOM 0 H LYS A 88 14.741 34.256 -17.939 1.00 0.00 H new ATOM 0 HA LYS A 88 14.996 35.449 -20.499 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.037 33.328 -19.635 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.412 33.778 -21.286 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.076 32.226 -19.323 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.520 31.753 -20.916 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.757 32.054 -21.315 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.132 33.624 -21.779 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.218 33.815 -20.468 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.877 34.615 -19.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.374 33.224 -18.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.712 32.915 -18.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.695 31.852 -18.972 1.00 0.00 H new ATOM 1421 N ASP A 89 12.127 35.897 -18.849 1.00 0.00 N ATOM 1422 CA ASP A 89 10.902 36.671 -18.596 1.00 0.00 C ATOM 1423 C ASP A 89 9.827 36.651 -19.701 1.00 0.00 C ATOM 1424 O ASP A 89 8.650 36.863 -19.407 1.00 0.00 O ATOM 1425 CB ASP A 89 11.267 38.109 -18.196 1.00 0.00 C ATOM 1426 CG ASP A 89 10.031 38.929 -17.789 1.00 0.00 C ATOM 1427 OD1 ASP A 89 9.456 38.670 -16.707 1.00 0.00 O ATOM 1428 OD2 ASP A 89 9.661 39.878 -18.517 1.00 0.00 O ATOM 0 H ASP A 89 12.267 35.194 -18.123 1.00 0.00 H new ATOM 0 HA ASP A 89 10.413 36.151 -17.772 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.975 38.086 -17.367 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.769 38.600 -19.030 1.00 0.00 H new ATOM 1433 N ASP A 90 10.185 36.350 -20.951 1.00 0.00 N ATOM 1434 CA ASP A 90 9.337 36.491 -22.140 1.00 0.00 C ATOM 1435 C ASP A 90 9.538 35.310 -23.106 1.00 0.00 C ATOM 1436 O ASP A 90 9.255 35.395 -24.301 1.00 0.00 O ATOM 1437 CB ASP A 90 9.657 37.837 -22.805 1.00 0.00 C ATOM 1438 CG ASP A 90 8.690 38.192 -23.951 1.00 0.00 C ATOM 1439 OD1 ASP A 90 7.454 38.150 -23.751 1.00 0.00 O ATOM 1440 OD2 ASP A 90 9.159 38.586 -25.044 1.00 0.00 O ATOM 0 H ASP A 90 11.112 35.986 -21.173 1.00 0.00 H new ATOM 0 HA ASP A 90 8.286 36.476 -21.853 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.623 38.624 -22.052 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.675 37.811 -23.192 1.00 0.00 H new ATOM 1445 N ASP A 91 10.036 34.187 -22.583 1.00 0.00 N ATOM 1446 CA ASP A 91 10.134 32.906 -23.285 1.00 0.00 C ATOM 1447 C ASP A 91 9.672 31.802 -22.333 1.00 0.00 C ATOM 1448 O ASP A 91 9.732 31.977 -21.112 1.00 0.00 O ATOM 1449 CB ASP A 91 11.561 32.660 -23.793 1.00 0.00 C ATOM 1450 CG ASP A 91 11.663 31.383 -24.649 1.00 0.00 C ATOM 1451 OD1 ASP A 91 10.701 31.054 -25.380 1.00 0.00 O ATOM 1452 OD2 ASP A 91 12.726 30.725 -24.622 1.00 0.00 O ATOM 0 H ASP A 91 10.393 34.143 -21.629 1.00 0.00 H new ATOM 0 HA ASP A 91 9.493 32.914 -24.166 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.888 33.517 -24.382 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.239 32.580 -22.943 1.00 0.00 H new ATOM 1457 N VAL A 92 9.206 30.678 -22.877 1.00 0.00 N ATOM 1458 CA VAL A 92 8.520 29.634 -22.129 1.00 0.00 C ATOM 1459 C VAL A 92 8.984 28.240 -22.576 1.00 0.00 C ATOM 1460 O VAL A 92 9.490 28.050 -23.686 1.00 0.00 O ATOM 1461 CB VAL A 92 7.000 29.884 -22.308 1.00 0.00 C ATOM 1462 CG1 VAL A 92 6.502 29.641 -23.743 1.00 0.00 C ATOM 1463 CG2 VAL A 92 6.118 29.099 -21.330 1.00 0.00 C ATOM 0 H VAL A 92 9.299 30.467 -23.871 1.00 0.00 H new ATOM 0 HA VAL A 92 8.759 29.668 -21.066 1.00 0.00 H new ATOM 0 HB VAL A 92 6.896 30.945 -22.079 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.431 29.835 -23.794 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.025 30.309 -24.428 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.697 28.607 -24.026 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.070 29.329 -21.520 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.286 28.031 -21.466 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.371 29.379 -20.307 1.00 0.00 H new ATOM 1473 N TYR A 93 8.785 27.274 -21.684 1.00 0.00 N ATOM 1474 CA TYR A 93 9.200 25.883 -21.771 1.00 0.00 C ATOM 1475 C TYR A 93 8.077 25.003 -21.203 1.00 0.00 C ATOM 1476 O TYR A 93 7.031 25.502 -20.780 1.00 0.00 O ATOM 1477 CB TYR A 93 10.488 25.692 -20.943 1.00 0.00 C ATOM 1478 CG TYR A 93 11.652 26.600 -21.296 1.00 0.00 C ATOM 1479 CD1 TYR A 93 12.548 26.230 -22.317 1.00 0.00 C ATOM 1480 CD2 TYR A 93 11.859 27.797 -20.580 1.00 0.00 C ATOM 1481 CE1 TYR A 93 13.654 27.044 -22.616 1.00 0.00 C ATOM 1482 CE2 TYR A 93 12.962 28.619 -20.876 1.00 0.00 C ATOM 1483 CZ TYR A 93 13.870 28.239 -21.894 1.00 0.00 C ATOM 1484 OH TYR A 93 14.965 29.000 -22.176 1.00 0.00 O ATOM 0 H TYR A 93 8.289 27.462 -20.813 1.00 0.00 H new ATOM 0 HA TYR A 93 9.395 25.605 -22.807 1.00 0.00 H new ATOM 0 HB2 TYR A 93 10.244 25.841 -19.891 1.00 0.00 H new ATOM 0 HB3 TYR A 93 10.815 24.658 -21.051 1.00 0.00 H new ATOM 0 HD1 TYR A 93 12.385 25.318 -22.872 1.00 0.00 H new ATOM 0 HD2 TYR A 93 11.168 28.084 -19.801 1.00 0.00 H new ATOM 0 HE1 TYR A 93 14.340 26.756 -23.399 1.00 0.00 H new ATOM 0 HE2 TYR A 93 13.116 29.537 -20.328 1.00 0.00 H new ATOM 0 HH TYR A 93 15.205 28.891 -23.120 1.00 0.00 H new ATOM 1494 N THR A 94 8.325 23.696 -21.135 1.00 0.00 N ATOM 1495 CA THR A 94 7.473 22.740 -20.435 1.00 0.00 C ATOM 1496 C THR A 94 8.379 21.915 -19.515 1.00 0.00 C ATOM 1497 O THR A 94 9.504 21.576 -19.894 1.00 0.00 O ATOM 1498 CB THR A 94 6.676 21.873 -21.433 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.204 22.643 -22.528 1.00 0.00 O ATOM 1500 CG2 THR A 94 5.456 21.217 -20.778 1.00 0.00 C ATOM 0 H THR A 94 9.139 23.265 -21.573 1.00 0.00 H new ATOM 0 HA THR A 94 6.720 23.249 -19.834 1.00 0.00 H new ATOM 0 HB THR A 94 7.371 21.106 -21.776 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.705 22.066 -23.143 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.925 20.617 -21.517 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.783 20.578 -19.958 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.791 21.990 -20.392 1.00 0.00 H new ATOM 1508 N ALA A 95 7.892 21.603 -18.313 1.00 0.00 N ATOM 1509 CA ALA A 95 8.600 20.825 -17.304 1.00 0.00 C ATOM 1510 C ALA A 95 7.657 19.771 -16.739 1.00 0.00 C ATOM 1511 O ALA A 95 6.436 19.912 -16.838 1.00 0.00 O ATOM 1512 CB ALA A 95 9.084 21.752 -16.183 1.00 0.00 C ATOM 0 H ALA A 95 6.964 21.896 -18.008 1.00 0.00 H new ATOM 0 HA ALA A 95 9.464 20.336 -17.753 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.613 21.167 -15.430 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.756 22.503 -16.597 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.227 22.245 -15.723 1.00 0.00 H new ATOM 1518 N LYS A 96 8.215 18.727 -16.121 1.00 0.00 N ATOM 1519 CA LYS A 96 7.413 17.783 -15.362 1.00 0.00 C ATOM 1520 C LYS A 96 7.048 18.489 -14.064 1.00 0.00 C ATOM 1521 O LYS A 96 7.914 19.118 -13.452 1.00 0.00 O ATOM 1522 CB LYS A 96 8.163 16.478 -15.027 1.00 0.00 C ATOM 1523 CG LYS A 96 8.779 15.693 -16.202 1.00 0.00 C ATOM 1524 CD LYS A 96 10.161 16.164 -16.700 1.00 0.00 C ATOM 1525 CE LYS A 96 11.204 16.188 -15.567 1.00 0.00 C ATOM 1526 NZ LYS A 96 12.552 16.622 -16.012 1.00 0.00 N ATOM 0 H LYS A 96 9.214 18.520 -16.135 1.00 0.00 H new ATOM 0 HA LYS A 96 6.546 17.493 -15.956 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.963 16.719 -14.327 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.471 15.816 -14.505 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.862 14.647 -15.906 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.083 15.733 -17.040 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.505 15.503 -17.495 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.071 17.161 -17.131 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.857 16.857 -14.779 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.277 15.192 -15.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.061 17.050 -15.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.084 15.799 -16.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.457 17.321 -16.776 1.00 0.00 H new ATOM 1540 N LEU A 97 5.820 18.316 -13.586 1.00 0.00 N ATOM 1541 CA LEU A 97 5.434 18.752 -12.245 1.00 0.00 C ATOM 1542 C LEU A 97 6.331 18.065 -11.201 1.00 0.00 C ATOM 1543 O LEU A 97 6.621 18.634 -10.154 1.00 0.00 O ATOM 1544 CB LEU A 97 3.948 18.437 -12.000 1.00 0.00 C ATOM 1545 CG LEU A 97 3.387 19.054 -10.701 1.00 0.00 C ATOM 1546 CD1 LEU A 97 3.419 20.588 -10.743 1.00 0.00 C ATOM 1547 CD2 LEU A 97 1.940 18.592 -10.508 1.00 0.00 C ATOM 0 H LEU A 97 5.067 17.873 -14.112 1.00 0.00 H new ATOM 0 HA LEU A 97 5.569 19.830 -12.155 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.365 18.801 -12.846 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.816 17.356 -11.964 1.00 0.00 H new ATOM 0 HG LEU A 97 4.012 18.722 -9.872 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.016 20.986 -9.812 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.447 20.927 -10.868 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.816 20.942 -11.579 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.539 19.025 -9.592 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.338 18.917 -11.357 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.911 17.505 -10.438 1.00 0.00 H new ATOM 1559 N SER A 98 6.825 16.868 -11.526 1.00 0.00 N ATOM 1560 CA SER A 98 7.782 16.080 -10.758 1.00 0.00 C ATOM 1561 C SER A 98 9.099 16.813 -10.457 1.00 0.00 C ATOM 1562 O SER A 98 9.775 16.489 -9.481 1.00 0.00 O ATOM 1563 CB SER A 98 8.065 14.829 -11.594 1.00 0.00 C ATOM 1564 OG SER A 98 6.824 14.267 -11.996 1.00 0.00 O ATOM 0 H SER A 98 6.548 16.397 -12.387 1.00 0.00 H new ATOM 0 HA SER A 98 7.353 15.857 -9.781 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.666 15.084 -12.467 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.638 14.106 -11.013 1.00 0.00 H new ATOM 0 HG SER A 98 6.987 13.465 -12.534 1.00 0.00 H new ATOM 1570 N ASP A 99 9.452 17.802 -11.280 1.00 0.00 N ATOM 1571 CA ASP A 99 10.673 18.605 -11.158 1.00 0.00 C ATOM 1572 C ASP A 99 10.325 20.026 -10.688 1.00 0.00 C ATOM 1573 O ASP A 99 11.171 20.909 -10.724 1.00 0.00 O ATOM 1574 CB ASP A 99 11.453 18.611 -12.497 1.00 0.00 C ATOM 1575 CG ASP A 99 12.525 17.516 -12.643 1.00 0.00 C ATOM 1576 OD1 ASP A 99 12.489 16.490 -11.929 1.00 0.00 O ATOM 1577 OD2 ASP A 99 13.376 17.662 -13.554 1.00 0.00 O ATOM 0 H ASP A 99 8.877 18.076 -12.077 1.00 0.00 H new ATOM 0 HA ASP A 99 11.324 18.159 -10.406 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.739 18.508 -13.314 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.933 19.583 -12.614 1.00 0.00 H new ATOM 1582 N ILE A 100 9.101 20.287 -10.230 1.00 0.00 N ATOM 1583 CA ILE A 100 8.649 21.597 -9.767 1.00 0.00 C ATOM 1584 C ILE A 100 8.240 21.482 -8.306 1.00 0.00 C ATOM 1585 O ILE A 100 7.792 20.441 -7.821 1.00 0.00 O ATOM 1586 CB ILE A 100 7.502 22.105 -10.685 1.00 0.00 C ATOM 1587 CG1 ILE A 100 8.104 22.700 -11.975 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.488 23.081 -10.047 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.409 24.197 -11.964 1.00 0.00 C ATOM 0 H ILE A 100 8.376 19.572 -10.169 1.00 0.00 H new ATOM 0 HA ILE A 100 9.448 22.336 -9.827 1.00 0.00 H new ATOM 0 HB ILE A 100 6.899 21.223 -10.899 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.028 22.166 -12.197 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.415 22.499 -12.796 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.739 23.362 -10.787 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.999 22.597 -9.201 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.010 23.974 -9.702 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.827 24.490 -12.927 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.490 24.754 -11.783 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.128 24.416 -11.174 1.00 0.00 H new ATOM 1601 N GLU A 101 8.386 22.607 -7.623 1.00 0.00 N ATOM 1602 CA GLU A 101 7.865 22.832 -6.289 1.00 0.00 C ATOM 1603 C GLU A 101 7.307 24.250 -6.308 1.00 0.00 C ATOM 1604 O GLU A 101 7.926 25.156 -6.868 1.00 0.00 O ATOM 1605 CB GLU A 101 8.963 22.633 -5.235 1.00 0.00 C ATOM 1606 CG GLU A 101 8.448 22.887 -3.806 1.00 0.00 C ATOM 1607 CD GLU A 101 7.232 22.014 -3.431 1.00 0.00 C ATOM 1608 OE1 GLU A 101 6.078 22.421 -3.711 1.00 0.00 O ATOM 1609 OE2 GLU A 101 7.436 20.928 -2.842 1.00 0.00 O ATOM 0 H GLU A 101 8.887 23.413 -7.997 1.00 0.00 H new ATOM 0 HA GLU A 101 7.085 22.121 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.352 21.617 -5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.793 23.307 -5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.255 22.698 -3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.176 23.938 -3.707 1.00 0.00 H new ATOM 1616 N ALA A 102 6.112 24.437 -5.760 1.00 0.00 N ATOM 1617 CA ALA A 102 5.414 25.706 -5.842 1.00 0.00 C ATOM 1618 C ALA A 102 5.842 26.630 -4.707 1.00 0.00 C ATOM 1619 O ALA A 102 6.222 26.186 -3.621 1.00 0.00 O ATOM 1620 CB ALA A 102 3.912 25.465 -5.791 1.00 0.00 C ATOM 0 H ALA A 102 5.605 23.714 -5.249 1.00 0.00 H new ATOM 0 HA ALA A 102 5.668 26.189 -6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.388 26.419 -5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.616 24.834 -6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.655 24.970 -4.855 1.00 0.00 H new ATOM 1626 N ILE A 103 5.710 27.929 -4.960 1.00 0.00 N ATOM 1627 CA ILE A 103 6.031 28.999 -4.028 1.00 0.00 C ATOM 1628 C ILE A 103 4.757 29.837 -3.851 1.00 0.00 C ATOM 1629 O ILE A 103 4.117 30.228 -4.827 1.00 0.00 O ATOM 1630 CB ILE A 103 7.232 29.809 -4.576 1.00 0.00 C ATOM 1631 CG1 ILE A 103 8.509 28.936 -4.679 1.00 0.00 C ATOM 1632 CG2 ILE A 103 7.527 31.038 -3.701 1.00 0.00 C ATOM 1633 CD1 ILE A 103 9.632 29.587 -5.496 1.00 0.00 C ATOM 0 H ILE A 103 5.363 28.276 -5.854 1.00 0.00 H new ATOM 0 HA ILE A 103 6.337 28.628 -3.050 1.00 0.00 H new ATOM 0 HB ILE A 103 6.952 30.143 -5.575 1.00 0.00 H new ATOM 0 HG12 ILE A 103 8.877 28.725 -3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.249 27.979 -5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 103 8.375 31.584 -4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.653 31.688 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.763 30.715 -2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.494 28.920 -5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.282 29.773 -6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 103 9.919 30.531 -5.032 1.00 0.00 H new ATOM 1645 N ASP A 104 4.419 30.130 -2.590 1.00 0.00 N ATOM 1646 CA ASP A 104 3.315 31.008 -2.176 1.00 0.00 C ATOM 1647 C ASP A 104 1.949 30.655 -2.802 1.00 0.00 C ATOM 1648 O ASP A 104 1.113 31.527 -3.051 1.00 0.00 O ATOM 1649 CB ASP A 104 3.726 32.480 -2.364 1.00 0.00 C ATOM 1650 CG ASP A 104 2.751 33.466 -1.693 1.00 0.00 C ATOM 1651 OD1 ASP A 104 2.401 33.277 -0.505 1.00 0.00 O ATOM 1652 OD2 ASP A 104 2.381 34.483 -2.325 1.00 0.00 O ATOM 0 H ASP A 104 4.929 29.746 -1.795 1.00 0.00 H new ATOM 0 HA ASP A 104 3.141 30.837 -1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 104 4.725 32.628 -1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 104 3.784 32.702 -3.429 1.00 0.00 H new ATOM 1657 N VAL A 105 1.712 29.368 -3.079 1.00 0.00 N ATOM 1658 CA VAL A 105 0.419 28.870 -3.554 1.00 0.00 C ATOM 1659 C VAL A 105 -0.544 28.631 -2.386 1.00 0.00 C ATOM 1660 O VAL A 105 -0.168 28.740 -1.213 1.00 0.00 O ATOM 1661 CB VAL A 105 0.604 27.580 -4.377 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.201 27.920 -5.740 1.00 0.00 C ATOM 1663 CG2 VAL A 105 1.405 26.482 -3.654 1.00 0.00 C ATOM 0 H VAL A 105 2.418 28.639 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.018 29.632 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.386 27.146 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.330 27.006 -6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.531 28.595 -6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.169 28.403 -5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.490 25.608 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 105 2.401 26.855 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.892 26.204 -2.733 1.00 0.00 H new ATOM 1673 N ASP A 106 -1.793 28.289 -2.715 1.00 0.00 N ATOM 1674 CA ASP A 106 -2.764 27.810 -1.741 1.00 0.00 C ATOM 1675 C ASP A 106 -2.281 26.480 -1.164 1.00 0.00 C ATOM 1676 O ASP A 106 -1.478 25.758 -1.766 1.00 0.00 O ATOM 1677 CB ASP A 106 -4.145 27.601 -2.375 1.00 0.00 C ATOM 1678 CG ASP A 106 -5.247 27.431 -1.319 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -5.768 28.450 -0.814 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -5.571 26.274 -0.974 1.00 0.00 O ATOM 0 H ASP A 106 -2.155 28.338 -3.667 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.856 28.563 -0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.383 28.452 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.119 26.720 -3.016 1.00 0.00 H new ATOM 1685 N ASP A 107 -2.840 26.129 -0.017 1.00 0.00 N ATOM 1686 CA ASP A 107 -2.531 24.895 0.688 1.00 0.00 C ATOM 1687 C ASP A 107 -2.914 23.691 -0.166 1.00 0.00 C ATOM 1688 O ASP A 107 -2.140 22.745 -0.260 1.00 0.00 O ATOM 1689 CB ASP A 107 -3.274 24.856 2.025 1.00 0.00 C ATOM 1690 CG ASP A 107 -3.027 23.529 2.760 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -1.910 23.329 3.289 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -3.967 22.710 2.866 1.00 0.00 O ATOM 0 H ASP A 107 -3.534 26.705 0.459 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.459 24.857 0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.947 25.687 2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -4.343 24.987 1.854 1.00 0.00 H new ATOM 1697 N ASP A 108 -4.063 23.737 -0.846 1.00 0.00 N ATOM 1698 CA ASP A 108 -4.566 22.595 -1.608 1.00 0.00 C ATOM 1699 C ASP A 108 -3.738 22.364 -2.879 1.00 0.00 C ATOM 1700 O ASP A 108 -3.580 21.230 -3.329 1.00 0.00 O ATOM 1701 CB ASP A 108 -6.049 22.817 -1.936 1.00 0.00 C ATOM 1702 CG ASP A 108 -6.813 21.530 -2.301 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -6.437 20.422 -1.858 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -7.873 21.642 -2.958 1.00 0.00 O ATOM 0 H ASP A 108 -4.665 24.560 -0.883 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.470 21.694 -1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.534 23.283 -1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.125 23.519 -2.766 1.00 0.00 H new ATOM 1709 N THR A 109 -3.146 23.430 -3.433 1.00 0.00 N ATOM 1710 CA THR A 109 -2.215 23.339 -4.554 1.00 0.00 C ATOM 1711 C THR A 109 -0.922 22.680 -4.068 1.00 0.00 C ATOM 1712 O THR A 109 -0.460 21.725 -4.695 1.00 0.00 O ATOM 1713 CB THR A 109 -2.000 24.759 -5.104 1.00 0.00 C ATOM 1714 OG1 THR A 109 -3.232 25.237 -5.603 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.001 24.880 -6.256 1.00 0.00 C ATOM 0 H THR A 109 -3.304 24.385 -3.110 1.00 0.00 H new ATOM 0 HA THR A 109 -2.601 22.721 -5.364 1.00 0.00 H new ATOM 0 HB THR A 109 -1.598 25.326 -4.265 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.567 25.949 -5.019 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.927 25.923 -6.565 1.00 0.00 H new ATOM 0 HG22 THR A 109 -0.023 24.529 -5.928 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.340 24.275 -7.097 1.00 0.00 H new ATOM 1723 N GLN A 110 -0.359 23.130 -2.939 1.00 0.00 N ATOM 1724 CA GLN A 110 0.864 22.533 -2.417 1.00 0.00 C ATOM 1725 C GLN A 110 0.611 21.062 -2.056 1.00 0.00 C ATOM 1726 O GLN A 110 1.424 20.205 -2.395 1.00 0.00 O ATOM 1727 CB GLN A 110 1.404 23.353 -1.229 1.00 0.00 C ATOM 1728 CG GLN A 110 2.940 23.301 -1.130 1.00 0.00 C ATOM 1729 CD GLN A 110 3.471 21.886 -0.887 1.00 0.00 C ATOM 1730 OE1 GLN A 110 3.149 21.252 0.115 1.00 0.00 O ATOM 1731 NE2 GLN A 110 4.272 21.349 -1.793 1.00 0.00 N ATOM 0 H GLN A 110 -0.731 23.897 -2.379 1.00 0.00 H new ATOM 0 HA GLN A 110 1.638 22.552 -3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.084 24.390 -1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.970 22.975 -0.303 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.372 23.693 -2.050 1.00 0.00 H new ATOM 0 HG3 GLN A 110 3.270 23.952 -0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 110 4.534 21.882 -2.622 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.627 20.402 -1.662 1.00 0.00 H new ATOM 1740 N GLU A 111 -0.533 20.744 -1.443 1.00 0.00 N ATOM 1741 CA GLU A 111 -0.894 19.377 -1.095 1.00 0.00 C ATOM 1742 C GLU A 111 -0.949 18.495 -2.337 1.00 0.00 C ATOM 1743 O GLU A 111 -0.395 17.401 -2.306 1.00 0.00 O ATOM 1744 CB GLU A 111 -2.237 19.335 -0.351 1.00 0.00 C ATOM 1745 CG GLU A 111 -2.121 19.767 1.116 1.00 0.00 C ATOM 1746 CD GLU A 111 -1.441 18.698 1.990 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -2.127 17.756 2.448 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -0.220 18.797 2.248 1.00 0.00 O ATOM 0 H GLU A 111 -1.234 21.435 -1.175 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.121 18.989 -0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.949 19.984 -0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.640 18.323 -0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.553 20.696 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.115 19.976 1.510 1.00 0.00 H new ATOM 1755 N ALA A 112 -1.553 18.958 -3.435 1.00 0.00 N ATOM 1756 CA ALA A 112 -1.606 18.186 -4.671 1.00 0.00 C ATOM 1757 C ALA A 112 -0.201 17.913 -5.218 1.00 0.00 C ATOM 1758 O ALA A 112 0.070 16.810 -5.692 1.00 0.00 O ATOM 1759 CB ALA A 112 -2.450 18.936 -5.701 1.00 0.00 C ATOM 0 H ALA A 112 -2.012 19.867 -3.489 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.066 17.220 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.491 18.361 -6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.460 19.073 -5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.002 19.910 -5.899 1.00 0.00 H new ATOM 1765 N ILE A 113 0.695 18.899 -5.145 1.00 0.00 N ATOM 1766 CA ILE A 113 2.068 18.767 -5.620 1.00 0.00 C ATOM 1767 C ILE A 113 2.819 17.760 -4.746 1.00 0.00 C ATOM 1768 O ILE A 113 3.410 16.824 -5.277 1.00 0.00 O ATOM 1769 CB ILE A 113 2.730 20.160 -5.651 1.00 0.00 C ATOM 1770 CG1 ILE A 113 2.050 21.012 -6.743 1.00 0.00 C ATOM 1771 CG2 ILE A 113 4.247 20.085 -5.896 1.00 0.00 C ATOM 1772 CD1 ILE A 113 2.250 22.508 -6.529 1.00 0.00 C ATOM 0 H ILE A 113 0.484 19.816 -4.752 1.00 0.00 H new ATOM 0 HA ILE A 113 2.093 18.378 -6.638 1.00 0.00 H new ATOM 0 HB ILE A 113 2.596 20.622 -4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 113 2.449 20.732 -7.718 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.983 20.791 -6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.664 21.092 -5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.716 19.508 -5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.437 19.602 -6.854 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.751 23.059 -7.326 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.827 22.798 -5.567 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.315 22.738 -6.541 1.00 0.00 H new ATOM 1784 N ALA A 114 2.777 17.911 -3.420 1.00 0.00 N ATOM 1785 CA ALA A 114 3.421 16.984 -2.496 1.00 0.00 C ATOM 1786 C ALA A 114 2.879 15.565 -2.694 1.00 0.00 C ATOM 1787 O ALA A 114 3.645 14.605 -2.752 1.00 0.00 O ATOM 1788 CB ALA A 114 3.192 17.455 -1.056 1.00 0.00 C ATOM 0 H ALA A 114 2.294 18.682 -2.959 1.00 0.00 H new ATOM 0 HA ALA A 114 4.492 16.965 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.673 16.762 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.617 18.450 -0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.122 17.488 -0.850 1.00 0.00 H new ATOM 1794 N ASP A 115 1.561 15.438 -2.837 1.00 0.00 N ATOM 1795 CA ASP A 115 0.892 14.151 -3.010 1.00 0.00 C ATOM 1796 C ASP A 115 1.323 13.466 -4.308 1.00 0.00 C ATOM 1797 O ASP A 115 1.609 12.265 -4.316 1.00 0.00 O ATOM 1798 CB ASP A 115 -0.627 14.324 -2.960 1.00 0.00 C ATOM 1799 CG ASP A 115 -1.313 12.963 -2.840 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -1.325 12.429 -1.707 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -1.858 12.460 -3.844 1.00 0.00 O ATOM 0 H ASP A 115 0.922 16.233 -2.836 1.00 0.00 H new ATOM 0 HA ASP A 115 1.192 13.505 -2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -0.900 14.953 -2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.971 14.834 -3.859 1.00 0.00 H new ATOM 1806 N TRP A 116 1.456 14.249 -5.385 1.00 0.00 N ATOM 1807 CA TRP A 116 2.011 13.771 -6.645 1.00 0.00 C ATOM 1808 C TRP A 116 3.461 13.344 -6.439 1.00 0.00 C ATOM 1809 O TRP A 116 3.847 12.289 -6.930 1.00 0.00 O ATOM 1810 CB TRP A 116 1.922 14.837 -7.753 1.00 0.00 C ATOM 1811 CG TRP A 116 2.683 14.481 -9.001 1.00 0.00 C ATOM 1812 CD1 TRP A 116 3.907 14.949 -9.344 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.342 13.498 -10.028 1.00 0.00 C ATOM 1814 NE1 TRP A 116 4.350 14.310 -10.486 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.436 13.383 -10.936 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.230 12.666 -10.270 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 3.437 12.468 -11.999 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 1.200 11.774 -11.358 1.00 0.00 C ATOM 1819 CH2 TRP A 116 2.311 11.658 -12.213 1.00 0.00 C ATOM 0 H TRP A 116 1.180 15.231 -5.402 1.00 0.00 H new ATOM 0 HA TRP A 116 1.419 12.915 -6.969 1.00 0.00 H new ATOM 0 HB2 TRP A 116 0.874 14.994 -8.010 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.300 15.783 -7.365 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.455 15.708 -8.805 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.243 14.501 -10.940 1.00 0.00 H new ATOM 0 HE3 TRP A 116 0.381 12.714 -9.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 4.297 12.387 -12.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 0.319 11.175 -11.538 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.298 10.950 -13.029 1.00 0.00 H new ATOM 1830 N LEU A 117 4.268 14.124 -5.713 1.00 0.00 N ATOM 1831 CA LEU A 117 5.684 13.831 -5.521 1.00 0.00 C ATOM 1832 C LEU A 117 5.892 12.515 -4.766 1.00 0.00 C ATOM 1833 O LEU A 117 6.852 11.808 -5.067 1.00 0.00 O ATOM 1834 CB LEU A 117 6.401 15.002 -4.828 1.00 0.00 C ATOM 1835 CG LEU A 117 6.627 16.211 -5.761 1.00 0.00 C ATOM 1836 CD1 LEU A 117 6.993 17.448 -4.936 1.00 0.00 C ATOM 1837 CD2 LEU A 117 7.732 15.947 -6.792 1.00 0.00 C ATOM 0 H LEU A 117 3.955 14.974 -5.244 1.00 0.00 H new ATOM 0 HA LEU A 117 6.132 13.706 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.815 15.320 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.363 14.658 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 117 5.695 16.380 -6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.151 18.296 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.183 17.676 -4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.906 17.253 -4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.855 16.825 -7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.669 15.738 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.458 15.090 -7.408 1.00 0.00 H new ATOM 1849 N TYR A 118 5.003 12.136 -3.841 1.00 0.00 N ATOM 1850 CA TYR A 118 5.071 10.822 -3.203 1.00 0.00 C ATOM 1851 C TYR A 118 4.815 9.714 -4.221 1.00 0.00 C ATOM 1852 O TYR A 118 5.594 8.769 -4.316 1.00 0.00 O ATOM 1853 CB TYR A 118 4.053 10.716 -2.060 1.00 0.00 C ATOM 1854 CG TYR A 118 4.262 11.697 -0.922 1.00 0.00 C ATOM 1855 CD1 TYR A 118 5.530 11.882 -0.336 1.00 0.00 C ATOM 1856 CD2 TYR A 118 3.170 12.450 -0.464 1.00 0.00 C ATOM 1857 CE1 TYR A 118 5.703 12.829 0.686 1.00 0.00 C ATOM 1858 CE2 TYR A 118 3.338 13.429 0.526 1.00 0.00 C ATOM 1859 CZ TYR A 118 4.611 13.621 1.114 1.00 0.00 C ATOM 1860 OH TYR A 118 4.798 14.556 2.087 1.00 0.00 O ATOM 0 H TYR A 118 4.231 12.721 -3.520 1.00 0.00 H new ATOM 0 HA TYR A 118 6.074 10.704 -2.793 1.00 0.00 H new ATOM 0 HB2 TYR A 118 3.054 10.865 -2.469 1.00 0.00 H new ATOM 0 HB3 TYR A 118 4.085 9.704 -1.657 1.00 0.00 H new ATOM 0 HD1 TYR A 118 6.371 11.294 -0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 118 2.189 12.274 -0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 118 6.672 12.953 1.147 1.00 0.00 H new ATOM 0 HE2 TYR A 118 2.500 14.034 0.838 1.00 0.00 H new ATOM 0 HH TYR A 118 3.951 15.016 2.266 1.00 0.00 H new ATOM 1870 N TRP A 119 3.740 9.833 -5.000 1.00 0.00 N ATOM 1871 CA TRP A 119 3.374 8.866 -6.029 1.00 0.00 C ATOM 1872 C TRP A 119 4.496 8.727 -7.072 1.00 0.00 C ATOM 1873 O TRP A 119 4.874 7.618 -7.454 1.00 0.00 O ATOM 1874 CB TRP A 119 2.038 9.338 -6.616 1.00 0.00 C ATOM 1875 CG TRP A 119 1.660 8.850 -7.973 1.00 0.00 C ATOM 1876 CD1 TRP A 119 1.983 9.475 -9.124 1.00 0.00 C ATOM 1877 CD2 TRP A 119 0.851 7.695 -8.356 1.00 0.00 C ATOM 1878 NE1 TRP A 119 1.375 8.839 -10.178 1.00 0.00 N ATOM 1879 CE2 TRP A 119 0.653 7.740 -9.768 1.00 0.00 C ATOM 1880 CE3 TRP A 119 0.263 6.613 -7.666 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -0.099 6.775 -10.453 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.508 5.647 -8.342 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.695 5.727 -9.733 1.00 0.00 C ATOM 0 H TRP A 119 3.091 10.617 -4.931 1.00 0.00 H new ATOM 0 HA TRP A 119 3.249 7.862 -5.624 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.248 9.047 -5.924 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.052 10.428 -6.644 1.00 0.00 H new ATOM 0 HD1 TRP A 119 2.622 10.342 -9.204 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.449 9.144 -11.149 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.407 6.524 -6.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.219 6.837 -11.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -0.959 4.838 -7.787 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.293 4.987 -10.244 1.00 0.00 H new ATOM 1894 N LEU A 120 5.087 9.852 -7.471 1.00 0.00 N ATOM 1895 CA LEU A 120 6.220 9.958 -8.374 1.00 0.00 C ATOM 1896 C LEU A 120 7.417 9.198 -7.805 1.00 0.00 C ATOM 1897 O LEU A 120 7.955 8.313 -8.473 1.00 0.00 O ATOM 1898 CB LEU A 120 6.472 11.466 -8.555 1.00 0.00 C ATOM 1899 CG LEU A 120 7.589 11.956 -9.483 1.00 0.00 C ATOM 1900 CD1 LEU A 120 8.995 11.870 -8.881 1.00 0.00 C ATOM 1901 CD2 LEU A 120 7.544 11.274 -10.847 1.00 0.00 C ATOM 0 H LEU A 120 4.765 10.765 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 120 6.034 9.504 -9.347 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.541 11.909 -8.908 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.668 11.882 -7.567 1.00 0.00 H new ATOM 0 HG LEU A 120 7.383 13.018 -9.618 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.724 12.236 -9.604 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.042 12.479 -7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 120 9.221 10.833 -8.632 1.00 0.00 H new ATOM 0 HD21 LEU A 120 8.354 11.653 -11.470 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.657 10.197 -10.719 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.588 11.484 -11.327 1.00 0.00 H new ATOM 1913 N ALA A 121 7.793 9.482 -6.552 1.00 0.00 N ATOM 1914 CA ALA A 121 8.891 8.807 -5.866 1.00 0.00 C ATOM 1915 C ALA A 121 8.641 7.299 -5.718 1.00 0.00 C ATOM 1916 O ALA A 121 9.591 6.516 -5.702 1.00 0.00 O ATOM 1917 CB ALA A 121 9.107 9.455 -4.492 1.00 0.00 C ATOM 0 H ALA A 121 7.336 10.195 -5.984 1.00 0.00 H new ATOM 0 HA ALA A 121 9.790 8.920 -6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.926 8.953 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.352 10.509 -4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.197 9.364 -3.900 1.00 0.00 H new ATOM 1923 N ARG A 122 7.374 6.878 -5.630 1.00 0.00 N ATOM 1924 CA ARG A 122 6.978 5.475 -5.515 1.00 0.00 C ATOM 1925 C ARG A 122 7.201 4.662 -6.795 1.00 0.00 C ATOM 1926 O ARG A 122 6.999 3.447 -6.754 1.00 0.00 O ATOM 1927 CB ARG A 122 5.500 5.393 -5.068 1.00 0.00 C ATOM 1928 CG ARG A 122 5.328 4.850 -3.642 1.00 0.00 C ATOM 1929 CD ARG A 122 5.812 3.405 -3.452 1.00 0.00 C ATOM 1930 NE ARG A 122 5.197 2.478 -4.417 1.00 0.00 N ATOM 1931 CZ ARG A 122 4.001 1.888 -4.294 1.00 0.00 C ATOM 1932 NH1 ARG A 122 3.226 2.107 -3.240 1.00 0.00 N ATOM 1933 NH2 ARG A 122 3.565 1.066 -5.242 1.00 0.00 N ATOM 0 H ARG A 122 6.581 7.519 -5.637 1.00 0.00 H new ATOM 0 HA ARG A 122 7.626 5.023 -4.764 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.053 6.386 -5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.952 4.755 -5.761 1.00 0.00 H new ATOM 0 HG2 ARG A 122 5.871 5.496 -2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.274 4.906 -3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.896 3.370 -3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.581 3.077 -2.439 1.00 0.00 H new ATOM 0 HE ARG A 122 5.733 2.265 -5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 122 3.537 2.737 -2.500 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.319 1.646 -3.169 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.141 0.884 -6.064 1.00 0.00 H new ATOM 0 HH22 ARG A 122 2.654 0.617 -5.148 1.00 0.00 H new ATOM 1947 N GLY A 123 7.593 5.280 -7.916 1.00 0.00 N ATOM 1948 CA GLY A 123 7.823 4.562 -9.168 1.00 0.00 C ATOM 1949 C GLY A 123 6.512 4.057 -9.778 1.00 0.00 C ATOM 1950 O GLY A 123 6.470 2.956 -10.327 1.00 0.00 O ATOM 0 H GLY A 123 7.758 6.285 -7.977 1.00 0.00 H new ATOM 0 HA2 GLY A 123 8.326 5.219 -9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 123 8.489 3.719 -8.987 1.00 0.00 H new ATOM 1954 N TYR A 124 5.449 4.856 -9.639 1.00 0.00 N ATOM 1955 CA TYR A 124 4.073 4.599 -10.056 1.00 0.00 C ATOM 1956 C TYR A 124 3.910 3.809 -11.357 1.00 0.00 C ATOM 1957 O TYR A 124 3.401 2.688 -11.359 1.00 0.00 O ATOM 1958 CB TYR A 124 3.313 5.934 -10.103 1.00 0.00 C ATOM 1959 CG TYR A 124 3.799 6.971 -11.118 1.00 0.00 C ATOM 1960 CD1 TYR A 124 5.063 7.581 -10.984 1.00 0.00 C ATOM 1961 CD2 TYR A 124 3.000 7.299 -12.232 1.00 0.00 C ATOM 1962 CE1 TYR A 124 5.537 8.469 -11.964 1.00 0.00 C ATOM 1963 CE2 TYR A 124 3.456 8.213 -13.195 1.00 0.00 C ATOM 1964 CZ TYR A 124 4.731 8.799 -13.075 1.00 0.00 C ATOM 1965 OH TYR A 124 5.162 9.666 -14.033 1.00 0.00 O ATOM 0 H TYR A 124 5.539 5.771 -9.197 1.00 0.00 H new ATOM 0 HA TYR A 124 3.644 3.934 -9.307 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.265 5.721 -10.311 1.00 0.00 H new ATOM 0 HB3 TYR A 124 3.356 6.384 -9.111 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.673 7.363 -10.120 1.00 0.00 H new ATOM 0 HD2 TYR A 124 2.028 6.843 -12.346 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.522 8.901 -11.867 1.00 0.00 H new ATOM 0 HE2 TYR A 124 2.825 8.468 -14.033 1.00 0.00 H new ATOM 0 HH TYR A 124 4.469 9.767 -14.719 1.00 0.00 H new ATOM 1975 N LYS A 125 4.335 4.430 -12.453 1.00 0.00 N ATOM 1976 CA LYS A 125 4.148 4.008 -13.844 1.00 0.00 C ATOM 1977 C LYS A 125 2.682 3.687 -14.169 1.00 0.00 C ATOM 1978 O LYS A 125 2.394 2.833 -15.010 1.00 0.00 O ATOM 1979 CB LYS A 125 5.127 2.875 -14.165 1.00 0.00 C ATOM 1980 CG LYS A 125 6.587 3.350 -14.087 1.00 0.00 C ATOM 1981 CD LYS A 125 7.603 2.221 -14.326 1.00 0.00 C ATOM 1982 CE LYS A 125 7.529 1.572 -15.719 1.00 0.00 C ATOM 1983 NZ LYS A 125 7.922 2.497 -16.814 1.00 0.00 N ATOM 0 H LYS A 125 4.857 5.304 -12.392 1.00 0.00 H new ATOM 0 HA LYS A 125 4.384 4.839 -14.508 1.00 0.00 H new ATOM 0 HB2 LYS A 125 4.974 2.052 -13.467 1.00 0.00 H new ATOM 0 HB3 LYS A 125 4.922 2.488 -15.163 1.00 0.00 H new ATOM 0 HG2 LYS A 125 6.747 4.136 -14.825 1.00 0.00 H new ATOM 0 HG3 LYS A 125 6.767 3.791 -13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 125 8.607 2.618 -14.178 1.00 0.00 H new ATOM 0 HD3 LYS A 125 7.451 1.449 -13.572 1.00 0.00 H new ATOM 0 HE2 LYS A 125 8.178 0.696 -15.740 1.00 0.00 H new ATOM 0 HE3 LYS A 125 6.513 1.220 -15.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 7.852 2.004 -17.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 7.288 3.321 -16.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 8.901 2.814 -16.666 1.00 0.00 H new ATOM 1997 N PHE A 126 1.783 4.439 -13.530 1.00 0.00 N ATOM 1998 CA PHE A 126 0.329 4.359 -13.631 1.00 0.00 C ATOM 1999 C PHE A 126 -0.130 2.899 -13.549 1.00 0.00 C ATOM 2000 O PHE A 126 0.081 2.281 -12.485 1.00 0.00 O ATOM 2001 CB PHE A 126 -0.149 5.084 -14.900 1.00 0.00 C ATOM 2002 CG PHE A 126 0.126 6.575 -14.980 1.00 0.00 C ATOM 2003 CD1 PHE A 126 -0.587 7.475 -14.165 1.00 0.00 C ATOM 2004 CD2 PHE A 126 1.057 7.073 -15.912 1.00 0.00 C ATOM 2005 CE1 PHE A 126 -0.357 8.859 -14.270 1.00 0.00 C ATOM 2006 CE2 PHE A 126 1.247 8.459 -16.053 1.00 0.00 C ATOM 2007 CZ PHE A 126 0.547 9.355 -15.226 1.00 0.00 C ATOM 2008 OXT PHE A 126 -0.722 2.380 -14.521 1.00 0.00 O ATOM 0 H PHE A 126 2.076 5.171 -12.883 1.00 0.00 H new ATOM 0 HA PHE A 126 -0.134 4.871 -12.787 1.00 0.00 H new ATOM 0 HB2 PHE A 126 0.318 4.606 -15.761 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -1.224 4.931 -14.994 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -1.312 7.102 -13.457 1.00 0.00 H new ATOM 0 HD2 PHE A 126 1.627 6.387 -16.521 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -0.876 9.542 -13.614 1.00 0.00 H new ATOM 0 HE2 PHE A 126 1.932 8.836 -16.798 1.00 0.00 H new ATOM 0 HZ PHE A 126 0.703 10.419 -15.325 1.00 0.00 H new TER 2018 PHE A 126