USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 821 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 47 MET CE :methyl -147:sc= -0.206 (180deg=-1.11) USER MOD Set 1.2: A 50 CYS SG : rot 17:sc= 0.508 USER MOD Set 2.1: A 43 LYS NZ :NH3+ 165:sc= 1.3 (180deg=1.1) USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.168 (180deg=-0.777) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0663 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= 1.26 (180deg=0.71) USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.16) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00581 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0401 X(o=-0.04,f=-0.04) USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= 1.02 (180deg=0.474) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= -0.0279 (180deg=-0.233) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -150:sc= 0.0162 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 30:sc= -0.314 USER MOD Single : A 65 GLN : amide:sc= -1.08 K(o=-1.1,f=0.24) USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= -0.0079 (180deg=-0.0934) USER MOD Single : A 77 SER OG : rot 163:sc= 0.643 USER MOD Single : A 80 LYS NZ :NH3+ -122:sc= 0.55 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0.954 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.114) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.419 14.430 -1.594 1.00 0.00 N ATOM 2 CA MET A 1 11.224 14.102 -3.010 1.00 0.00 C ATOM 3 C MET A 1 10.043 13.170 -3.120 1.00 0.00 C ATOM 4 O MET A 1 9.859 12.320 -2.260 1.00 0.00 O ATOM 5 CB MET A 1 12.479 13.426 -3.570 1.00 0.00 C ATOM 6 CG MET A 1 12.403 13.047 -5.044 1.00 0.00 C ATOM 7 SD MET A 1 13.925 12.281 -5.654 1.00 0.00 S ATOM 8 CE MET A 1 14.058 10.844 -4.582 1.00 0.00 C ATOM 0 H1 MET A 1 12.434 14.546 -1.401 1.00 0.00 H new ATOM 0 H2 MET A 1 10.921 15.315 -1.371 1.00 0.00 H new ATOM 0 H3 MET A 1 11.040 13.662 -1.004 1.00 0.00 H new ATOM 0 HA MET A 1 11.040 15.011 -3.583 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.328 14.094 -3.425 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.679 12.526 -2.989 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.571 12.360 -5.195 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.190 13.939 -5.633 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.740 10.120 -5.028 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.440 11.151 -3.608 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.075 10.389 -4.459 1.00 0.00 H new ATOM 18 N ALA A 2 9.257 13.316 -4.163 1.00 0.00 N ATOM 19 CA ALA A 2 8.072 12.503 -4.326 1.00 0.00 C ATOM 20 C ALA A 2 8.394 11.218 -5.056 1.00 0.00 C ATOM 21 O ALA A 2 9.142 11.212 -6.041 1.00 0.00 O ATOM 22 CB ALA A 2 6.969 13.263 -5.040 1.00 0.00 C ATOM 0 H ALA A 2 9.417 13.990 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 2 7.710 12.250 -3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.094 12.621 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.703 14.147 -4.461 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.317 13.567 -6.027 1.00 0.00 H new ATOM 28 N TYR A 3 7.865 10.146 -4.554 1.00 0.00 N ATOM 29 CA TYR A 3 8.059 8.836 -5.125 1.00 0.00 C ATOM 30 C TYR A 3 6.924 8.492 -6.080 1.00 0.00 C ATOM 31 O TYR A 3 5.919 9.218 -6.161 1.00 0.00 O ATOM 32 CB TYR A 3 8.169 7.774 -4.012 1.00 0.00 C ATOM 33 CG TYR A 3 9.459 7.826 -3.199 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.867 8.984 -2.550 1.00 0.00 C ATOM 35 CD2 TYR A 3 10.259 6.700 -3.076 1.00 0.00 C ATOM 36 CE1 TYR A 3 11.028 9.019 -1.810 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.423 6.726 -2.336 1.00 0.00 C ATOM 38 CZ TYR A 3 11.803 7.886 -1.707 1.00 0.00 C ATOM 39 OH TYR A 3 12.969 7.913 -0.966 1.00 0.00 O ATOM 0 H TYR A 3 7.275 10.149 -3.722 1.00 0.00 H new ATOM 0 HA TYR A 3 8.991 8.843 -5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.324 7.891 -3.333 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.081 6.786 -4.463 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.262 9.875 -2.627 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.965 5.785 -3.569 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.329 9.930 -1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.032 5.838 -2.252 1.00 0.00 H new ATOM 0 HH TYR A 3 13.396 7.031 -0.995 1.00 0.00 H new ATOM 49 N PHE A 4 7.098 7.420 -6.811 1.00 0.00 N ATOM 50 CA PHE A 4 6.089 6.928 -7.735 1.00 0.00 C ATOM 51 C PHE A 4 5.226 5.902 -7.020 1.00 0.00 C ATOM 52 O PHE A 4 5.625 5.393 -5.986 1.00 0.00 O ATOM 53 CB PHE A 4 6.757 6.290 -8.961 1.00 0.00 C ATOM 54 CG PHE A 4 7.612 7.237 -9.750 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.037 8.182 -10.577 1.00 0.00 C ATOM 56 CD2 PHE A 4 8.996 7.179 -9.665 1.00 0.00 C ATOM 57 CE1 PHE A 4 7.819 9.054 -11.304 1.00 0.00 C ATOM 58 CE2 PHE A 4 9.783 8.047 -10.390 1.00 0.00 C ATOM 59 CZ PHE A 4 9.194 8.986 -11.209 1.00 0.00 C ATOM 0 H PHE A 4 7.947 6.855 -6.787 1.00 0.00 H new ATOM 0 HA PHE A 4 5.470 7.758 -8.074 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.370 5.450 -8.633 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.984 5.884 -9.614 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.961 8.239 -10.655 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.461 6.445 -9.023 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.357 9.789 -11.946 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.859 7.992 -10.317 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.809 9.669 -11.777 1.00 0.00 H new ATOM 69 N LEU A 5 4.064 5.608 -7.545 1.00 0.00 N ATOM 70 CA LEU A 5 3.174 4.645 -6.918 1.00 0.00 C ATOM 71 C LEU A 5 2.793 3.581 -7.959 1.00 0.00 C ATOM 72 O LEU A 5 2.331 3.919 -9.047 1.00 0.00 O ATOM 73 CB LEU A 5 1.911 5.388 -6.394 1.00 0.00 C ATOM 74 CG LEU A 5 1.040 4.719 -5.285 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.471 3.384 -5.694 1.00 0.00 C ATOM 76 CD2 LEU A 5 1.803 4.588 -3.984 1.00 0.00 C ATOM 0 H LEU A 5 3.705 6.019 -8.407 1.00 0.00 H new ATOM 0 HA LEU A 5 3.662 4.156 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.234 6.358 -6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.263 5.578 -7.250 1.00 0.00 H new ATOM 0 HG LEU A 5 0.194 5.390 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.123 2.976 -4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.161 3.512 -6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.285 2.698 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.166 4.118 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.690 3.975 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.103 5.577 -3.637 1.00 0.00 H new ATOM 88 N ASP A 6 3.018 2.331 -7.648 1.00 0.00 N ATOM 89 CA ASP A 6 2.630 1.228 -8.528 1.00 0.00 C ATOM 90 C ASP A 6 1.875 0.213 -7.712 1.00 0.00 C ATOM 91 O ASP A 6 2.086 0.094 -6.503 1.00 0.00 O ATOM 92 CB ASP A 6 3.850 0.563 -9.186 1.00 0.00 C ATOM 93 CG ASP A 6 3.493 -0.532 -10.202 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.747 -0.254 -11.172 1.00 0.00 O ATOM 95 OD2 ASP A 6 3.999 -1.674 -10.084 1.00 0.00 O ATOM 0 H ASP A 6 3.473 2.036 -6.784 1.00 0.00 H new ATOM 0 HA ASP A 6 2.006 1.624 -9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.443 1.329 -9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.479 0.131 -8.408 1.00 0.00 H new ATOM 100 N PHE A 7 1.008 -0.489 -8.343 1.00 0.00 N ATOM 101 CA PHE A 7 0.199 -1.479 -7.683 1.00 0.00 C ATOM 102 C PHE A 7 0.489 -2.819 -8.302 1.00 0.00 C ATOM 103 O PHE A 7 0.579 -2.921 -9.538 1.00 0.00 O ATOM 104 CB PHE A 7 -1.300 -1.202 -7.887 1.00 0.00 C ATOM 105 CG PHE A 7 -1.829 0.124 -7.402 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.854 1.227 -8.247 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.341 0.253 -6.126 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.369 2.434 -7.818 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.863 1.457 -5.693 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.877 2.549 -6.540 1.00 0.00 C ATOM 0 H PHE A 7 0.828 -0.401 -9.343 1.00 0.00 H new ATOM 0 HA PHE A 7 0.432 -1.455 -6.618 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.516 -1.282 -8.952 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.860 -1.992 -7.387 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.466 1.139 -9.251 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.333 -0.596 -5.459 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.374 3.286 -8.481 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.260 1.545 -4.692 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.285 3.490 -6.202 1.00 0.00 H new ATOM 120 N ASP A 8 0.655 -3.836 -7.482 1.00 0.00 N ATOM 121 CA ASP A 8 0.775 -5.187 -8.004 1.00 0.00 C ATOM 122 C ASP A 8 -0.599 -5.578 -8.503 1.00 0.00 C ATOM 123 O ASP A 8 -1.599 -5.036 -8.007 1.00 0.00 O ATOM 124 CB ASP A 8 1.232 -6.176 -6.921 1.00 0.00 C ATOM 125 CG ASP A 8 1.511 -7.561 -7.482 1.00 0.00 C ATOM 126 OD1 ASP A 8 0.597 -8.393 -7.540 1.00 0.00 O ATOM 127 OD2 ASP A 8 2.663 -7.834 -7.898 1.00 0.00 O ATOM 0 H ASP A 8 0.710 -3.759 -6.466 1.00 0.00 H new ATOM 0 HA ASP A 8 1.523 -5.217 -8.796 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.132 -5.794 -6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.465 -6.247 -6.150 1.00 0.00 H new ATOM 132 N GLU A 9 -0.683 -6.483 -9.454 1.00 0.00 N ATOM 133 CA GLU A 9 -1.967 -6.852 -10.005 1.00 0.00 C ATOM 134 C GLU A 9 -2.921 -7.395 -8.935 1.00 0.00 C ATOM 135 O GLU A 9 -4.117 -7.157 -9.018 1.00 0.00 O ATOM 136 CB GLU A 9 -1.843 -7.813 -11.171 1.00 0.00 C ATOM 137 CG GLU A 9 -1.297 -9.162 -10.811 1.00 0.00 C ATOM 138 CD GLU A 9 -1.283 -10.076 -11.980 1.00 0.00 C ATOM 139 OE1 GLU A 9 -2.367 -10.558 -12.386 1.00 0.00 O ATOM 140 OE2 GLU A 9 -0.192 -10.351 -12.501 1.00 0.00 O ATOM 0 H GLU A 9 0.115 -6.973 -9.858 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.404 -5.932 -10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.826 -7.942 -11.625 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.199 -7.365 -11.928 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.285 -9.053 -10.421 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.900 -9.598 -10.015 1.00 0.00 H new ATOM 147 N ARG A 10 -2.389 -8.079 -7.902 1.00 0.00 N ATOM 148 CA ARG A 10 -3.248 -8.553 -6.811 1.00 0.00 C ATOM 149 C ARG A 10 -3.885 -7.378 -6.099 1.00 0.00 C ATOM 150 O ARG A 10 -5.070 -7.406 -5.776 1.00 0.00 O ATOM 151 CB ARG A 10 -2.525 -9.468 -5.801 1.00 0.00 C ATOM 152 CG ARG A 10 -1.219 -8.931 -5.245 1.00 0.00 C ATOM 153 CD ARG A 10 -0.734 -9.750 -4.064 1.00 0.00 C ATOM 154 NE ARG A 10 -1.427 -9.358 -2.832 1.00 0.00 N ATOM 155 CZ ARG A 10 -2.151 -10.151 -2.032 1.00 0.00 C ATOM 156 NH1 ARG A 10 -2.472 -11.396 -2.404 1.00 0.00 N ATOM 157 NH2 ARG A 10 -2.583 -9.677 -0.868 1.00 0.00 N ATOM 0 H ARG A 10 -1.400 -8.308 -7.805 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.019 -9.168 -7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.200 -9.664 -4.968 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.327 -10.425 -6.283 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.461 -8.936 -6.028 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.353 -7.894 -4.938 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.902 -10.809 -4.258 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.340 -9.615 -3.940 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.349 -8.379 -2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.164 -11.753 -3.308 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.024 -11.987 -1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.362 -8.720 -0.594 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.135 -10.270 -0.249 1.00 0.00 H new ATOM 171 N ALA A 11 -3.106 -6.324 -5.929 1.00 0.00 N ATOM 172 CA ALA A 11 -3.563 -5.126 -5.287 1.00 0.00 C ATOM 173 C ALA A 11 -4.606 -4.441 -6.146 1.00 0.00 C ATOM 174 O ALA A 11 -5.577 -3.959 -5.640 1.00 0.00 O ATOM 175 CB ALA A 11 -2.404 -4.188 -4.991 1.00 0.00 C ATOM 0 H ALA A 11 -2.135 -6.285 -6.238 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.019 -5.397 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.780 -3.288 -4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.692 -4.686 -4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.908 -3.917 -5.923 1.00 0.00 H new ATOM 181 N LEU A 12 -4.404 -4.456 -7.464 1.00 0.00 N ATOM 182 CA LEU A 12 -5.326 -3.833 -8.407 1.00 0.00 C ATOM 183 C LEU A 12 -6.684 -4.486 -8.375 1.00 0.00 C ATOM 184 O LEU A 12 -7.707 -3.808 -8.367 1.00 0.00 O ATOM 185 CB LEU A 12 -4.767 -3.878 -9.822 1.00 0.00 C ATOM 186 CG LEU A 12 -3.627 -2.922 -10.127 1.00 0.00 C ATOM 187 CD1 LEU A 12 -3.083 -3.183 -11.521 1.00 0.00 C ATOM 188 CD2 LEU A 12 -4.118 -1.479 -10.014 1.00 0.00 C ATOM 0 H LEU A 12 -3.598 -4.900 -7.904 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.441 -2.793 -8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.425 -4.893 -10.022 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.581 -3.673 -10.518 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.826 -3.082 -9.405 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.266 -2.492 -11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.716 -4.207 -11.582 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.876 -3.038 -12.254 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.297 -0.797 -10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.927 -1.313 -10.725 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.481 -1.296 -9.002 1.00 0.00 H new ATOM 200 N LYS A 13 -6.686 -5.794 -8.336 1.00 0.00 N ATOM 201 CA LYS A 13 -7.912 -6.566 -8.309 1.00 0.00 C ATOM 202 C LYS A 13 -8.697 -6.255 -7.036 1.00 0.00 C ATOM 203 O LYS A 13 -9.907 -5.999 -7.086 1.00 0.00 O ATOM 204 CB LYS A 13 -7.560 -8.048 -8.408 1.00 0.00 C ATOM 205 CG LYS A 13 -6.830 -8.379 -9.701 1.00 0.00 C ATOM 206 CD LYS A 13 -6.130 -9.722 -9.641 1.00 0.00 C ATOM 207 CE LYS A 13 -5.298 -9.944 -10.898 1.00 0.00 C ATOM 208 NZ LYS A 13 -4.546 -11.219 -10.880 1.00 0.00 N ATOM 0 H LYS A 13 -5.837 -6.360 -8.322 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.547 -6.301 -9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.937 -8.330 -7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.472 -8.642 -8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.541 -8.380 -10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.098 -7.600 -9.912 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.489 -9.766 -8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.867 -10.519 -9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.954 -9.929 -11.768 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.597 -9.117 -11.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.753 -11.164 -11.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.179 -11.392 -9.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.177 -11.998 -11.155 1.00 0.00 H new ATOM 222 N GLU A 14 -7.994 -6.200 -5.923 1.00 0.00 N ATOM 223 CA GLU A 14 -8.584 -5.856 -4.646 1.00 0.00 C ATOM 224 C GLU A 14 -9.001 -4.369 -4.610 1.00 0.00 C ATOM 225 O GLU A 14 -10.019 -4.019 -4.059 1.00 0.00 O ATOM 226 CB GLU A 14 -7.613 -6.186 -3.526 1.00 0.00 C ATOM 227 CG GLU A 14 -7.234 -7.662 -3.468 1.00 0.00 C ATOM 228 CD GLU A 14 -8.404 -8.565 -3.155 1.00 0.00 C ATOM 229 OE1 GLU A 14 -8.816 -8.641 -1.982 1.00 0.00 O ATOM 230 OE2 GLU A 14 -8.923 -9.234 -4.062 1.00 0.00 O ATOM 0 H GLU A 14 -6.993 -6.393 -5.879 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.489 -6.447 -4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.708 -5.591 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.056 -5.895 -2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.801 -7.957 -4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.462 -7.803 -2.711 1.00 0.00 H new ATOM 237 N TRP A 15 -8.203 -3.529 -5.224 1.00 0.00 N ATOM 238 CA TRP A 15 -8.441 -2.080 -5.328 1.00 0.00 C ATOM 239 C TRP A 15 -9.756 -1.811 -6.066 1.00 0.00 C ATOM 240 O TRP A 15 -10.545 -0.971 -5.659 1.00 0.00 O ATOM 241 CB TRP A 15 -7.247 -1.458 -6.080 1.00 0.00 C ATOM 242 CG TRP A 15 -7.241 0.029 -6.274 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.628 0.711 -7.392 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.770 1.011 -5.348 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.438 2.058 -7.210 1.00 0.00 N ATOM 246 CE2 TRP A 15 -6.913 2.268 -5.965 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.247 0.953 -4.055 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.549 3.452 -5.336 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -5.886 2.128 -3.432 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.037 3.360 -4.072 1.00 0.00 C ATOM 0 H TRP A 15 -7.342 -3.827 -5.683 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.526 -1.633 -4.337 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.336 -1.730 -5.546 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.191 -1.924 -7.064 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.025 0.257 -8.288 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.653 2.785 -7.893 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.127 0.005 -3.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.666 4.407 -5.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.479 2.096 -2.432 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.742 4.262 -3.556 1.00 0.00 H new ATOM 261 N ARG A 16 -9.990 -2.551 -7.139 1.00 0.00 N ATOM 262 CA ARG A 16 -11.223 -2.425 -7.932 1.00 0.00 C ATOM 263 C ARG A 16 -12.399 -3.066 -7.187 1.00 0.00 C ATOM 264 O ARG A 16 -13.561 -2.729 -7.403 1.00 0.00 O ATOM 265 CB ARG A 16 -11.021 -3.072 -9.304 1.00 0.00 C ATOM 266 CG ARG A 16 -9.879 -2.444 -10.083 1.00 0.00 C ATOM 267 CD ARG A 16 -9.559 -3.208 -11.348 1.00 0.00 C ATOM 268 NE ARG A 16 -8.358 -2.676 -12.009 1.00 0.00 N ATOM 269 CZ ARG A 16 -7.612 -3.342 -12.903 1.00 0.00 C ATOM 270 NH1 ARG A 16 -7.974 -4.547 -13.300 1.00 0.00 N ATOM 271 NH2 ARG A 16 -6.510 -2.789 -13.405 1.00 0.00 N ATOM 0 H ARG A 16 -9.340 -3.254 -7.491 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.454 -1.370 -8.078 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.825 -4.136 -9.174 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.941 -2.985 -9.882 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.138 -1.416 -10.338 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.991 -2.402 -9.452 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.409 -4.261 -11.110 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.406 -3.153 -12.032 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.070 -1.727 -11.769 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.822 -4.973 -12.927 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.406 -5.052 -13.980 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.229 -1.854 -13.110 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.947 -3.300 -14.084 1.00 0.00 H new ATOM 285 N LYS A 17 -12.062 -3.982 -6.310 1.00 0.00 N ATOM 286 CA LYS A 17 -12.997 -4.689 -5.439 1.00 0.00 C ATOM 287 C LYS A 17 -13.471 -3.751 -4.306 1.00 0.00 C ATOM 288 O LYS A 17 -14.519 -3.966 -3.688 1.00 0.00 O ATOM 289 CB LYS A 17 -12.242 -5.903 -4.896 1.00 0.00 C ATOM 290 CG LYS A 17 -12.904 -6.772 -3.854 1.00 0.00 C ATOM 291 CD LYS A 17 -11.909 -7.854 -3.476 1.00 0.00 C ATOM 292 CE LYS A 17 -12.362 -8.739 -2.345 1.00 0.00 C ATOM 293 NZ LYS A 17 -11.325 -9.747 -2.032 1.00 0.00 N ATOM 0 H LYS A 17 -11.094 -4.273 -6.171 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.892 -5.011 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.991 -6.540 -5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.302 -5.545 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.181 -6.182 -2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.821 -7.212 -4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.712 -8.473 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.965 -7.384 -3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.569 -8.134 -1.462 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.293 -9.237 -2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.672 -10.382 -1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.111 -10.301 -2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.462 -9.267 -1.705 1.00 0.00 H new ATOM 307 N LEU A 18 -12.687 -2.726 -4.043 1.00 0.00 N ATOM 308 CA LEU A 18 -13.026 -1.695 -3.071 1.00 0.00 C ATOM 309 C LEU A 18 -14.056 -0.725 -3.628 1.00 0.00 C ATOM 310 O LEU A 18 -14.306 -0.676 -4.850 1.00 0.00 O ATOM 311 CB LEU A 18 -11.777 -0.907 -2.656 1.00 0.00 C ATOM 312 CG LEU A 18 -11.094 -1.295 -1.344 1.00 0.00 C ATOM 313 CD1 LEU A 18 -10.711 -2.759 -1.303 1.00 0.00 C ATOM 314 CD2 LEU A 18 -9.886 -0.419 -1.129 1.00 0.00 C ATOM 0 H LEU A 18 -11.787 -2.579 -4.500 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.447 -2.201 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.042 -0.998 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.051 0.146 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.808 -1.140 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.230 -2.983 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.606 -3.372 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.021 -2.978 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.398 -0.695 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.188 -0.553 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.197 0.625 -1.082 1.00 0.00 H new ATOM 326 N GLY A 19 -14.640 0.043 -2.744 1.00 0.00 N ATOM 327 CA GLY A 19 -15.575 1.063 -3.147 1.00 0.00 C ATOM 328 C GLY A 19 -14.828 2.268 -3.677 1.00 0.00 C ATOM 329 O GLY A 19 -13.667 2.485 -3.292 1.00 0.00 O ATOM 0 H GLY A 19 -14.484 -0.019 -1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.244 0.673 -3.914 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.197 1.353 -2.300 1.00 0.00 H new ATOM 333 N SER A 20 -15.468 3.038 -4.541 1.00 0.00 N ATOM 334 CA SER A 20 -14.864 4.195 -5.178 1.00 0.00 C ATOM 335 C SER A 20 -14.297 5.202 -4.167 1.00 0.00 C ATOM 336 O SER A 20 -13.166 5.658 -4.309 1.00 0.00 O ATOM 337 CB SER A 20 -15.886 4.845 -6.107 1.00 0.00 C ATOM 338 OG SER A 20 -17.133 5.023 -5.439 1.00 0.00 O ATOM 0 H SER A 20 -16.434 2.874 -4.823 1.00 0.00 H new ATOM 0 HA SER A 20 -14.009 3.855 -5.761 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.511 5.809 -6.451 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.027 4.224 -6.992 1.00 0.00 H new ATOM 0 HG SER A 20 -17.774 5.442 -6.050 1.00 0.00 H new ATOM 344 N THR A 21 -15.066 5.520 -3.155 1.00 0.00 N ATOM 345 CA THR A 21 -14.633 6.442 -2.139 1.00 0.00 C ATOM 346 C THR A 21 -13.524 5.812 -1.295 1.00 0.00 C ATOM 347 O THR A 21 -12.512 6.444 -1.026 1.00 0.00 O ATOM 348 CB THR A 21 -15.810 6.860 -1.239 1.00 0.00 C ATOM 349 OG1 THR A 21 -16.926 7.219 -2.076 1.00 0.00 O ATOM 350 CG2 THR A 21 -15.429 8.064 -0.379 1.00 0.00 C ATOM 0 H THR A 21 -16.005 5.148 -3.014 1.00 0.00 H new ATOM 0 HA THR A 21 -14.244 7.334 -2.630 1.00 0.00 H new ATOM 0 HB THR A 21 -16.070 6.028 -0.584 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.684 7.486 -1.514 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.274 8.344 0.250 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.578 7.806 0.251 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.163 8.902 -1.023 1.00 0.00 H new ATOM 358 N VAL A 22 -13.704 4.540 -0.953 1.00 0.00 N ATOM 359 CA VAL A 22 -12.774 3.808 -0.088 1.00 0.00 C ATOM 360 C VAL A 22 -11.387 3.725 -0.710 1.00 0.00 C ATOM 361 O VAL A 22 -10.387 4.054 -0.056 1.00 0.00 O ATOM 362 CB VAL A 22 -13.295 2.374 0.229 1.00 0.00 C ATOM 363 CG1 VAL A 22 -12.250 1.567 0.970 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.556 2.446 1.067 1.00 0.00 C ATOM 0 H VAL A 22 -14.499 3.983 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.706 4.366 0.846 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.513 1.883 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.640 0.571 1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.352 1.484 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.004 2.064 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.909 1.437 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.342 2.962 2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.325 2.991 0.520 1.00 0.00 H new ATOM 374 N ARG A 23 -11.332 3.348 -1.984 1.00 0.00 N ATOM 375 CA ARG A 23 -10.062 3.274 -2.685 1.00 0.00 C ATOM 376 C ARG A 23 -9.452 4.672 -2.757 1.00 0.00 C ATOM 377 O ARG A 23 -8.272 4.847 -2.546 1.00 0.00 O ATOM 378 CB ARG A 23 -10.209 2.697 -4.122 1.00 0.00 C ATOM 379 CG ARG A 23 -11.163 3.500 -4.976 1.00 0.00 C ATOM 380 CD ARG A 23 -10.858 3.479 -6.450 1.00 0.00 C ATOM 381 NE ARG A 23 -11.595 4.570 -7.104 1.00 0.00 N ATOM 382 CZ ARG A 23 -11.717 4.773 -8.414 1.00 0.00 C ATOM 383 NH1 ARG A 23 -11.325 3.846 -9.284 1.00 0.00 N ATOM 384 NH2 ARG A 23 -12.274 5.904 -8.845 1.00 0.00 N ATOM 0 H ARG A 23 -12.145 3.092 -2.544 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.414 2.596 -2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.230 2.673 -4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.560 1.667 -4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.173 3.121 -4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.155 4.534 -4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.787 3.596 -6.615 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.144 2.519 -6.881 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.060 5.240 -6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.926 2.969 -8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.423 4.012 -10.286 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.600 6.600 -8.174 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.374 6.074 -9.846 1.00 0.00 H new ATOM 398 N GLU A 24 -10.285 5.659 -3.026 1.00 0.00 N ATOM 399 CA GLU A 24 -9.836 7.004 -3.174 1.00 0.00 C ATOM 400 C GLU A 24 -9.319 7.645 -1.894 1.00 0.00 C ATOM 401 O GLU A 24 -8.388 8.419 -1.952 1.00 0.00 O ATOM 402 CB GLU A 24 -10.786 7.845 -4.012 1.00 0.00 C ATOM 403 CG GLU A 24 -10.711 7.416 -5.481 1.00 0.00 C ATOM 404 CD GLU A 24 -11.566 8.205 -6.434 1.00 0.00 C ATOM 405 OE1 GLU A 24 -11.120 9.274 -6.901 1.00 0.00 O ATOM 406 OE2 GLU A 24 -12.663 7.732 -6.802 1.00 0.00 O ATOM 0 H GLU A 24 -11.291 5.537 -3.146 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.925 6.957 -3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.806 7.732 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.528 8.900 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.674 7.486 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.996 6.366 -5.549 1.00 0.00 H new ATOM 413 N GLN A 25 -9.897 7.293 -0.743 1.00 0.00 N ATOM 414 CA GLN A 25 -9.375 7.726 0.553 1.00 0.00 C ATOM 415 C GLN A 25 -7.948 7.211 0.710 1.00 0.00 C ATOM 416 O GLN A 25 -7.043 7.942 1.117 1.00 0.00 O ATOM 417 CB GLN A 25 -10.219 7.165 1.703 1.00 0.00 C ATOM 418 CG GLN A 25 -11.688 7.550 1.705 1.00 0.00 C ATOM 419 CD GLN A 25 -11.910 9.034 1.756 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.989 9.624 2.827 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.032 9.643 0.619 1.00 0.00 N ATOM 0 H GLN A 25 -10.730 6.707 -0.684 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.406 8.815 0.589 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.150 6.077 1.680 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.777 7.493 2.644 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.163 7.148 0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.177 7.086 2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.960 9.117 -0.252 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.200 10.649 0.595 1.00 0.00 H new ATOM 430 N LEU A 26 -7.756 5.950 0.350 1.00 0.00 N ATOM 431 CA LEU A 26 -6.451 5.319 0.409 1.00 0.00 C ATOM 432 C LEU A 26 -5.511 5.953 -0.606 1.00 0.00 C ATOM 433 O LEU A 26 -4.360 6.214 -0.306 1.00 0.00 O ATOM 434 CB LEU A 26 -6.576 3.813 0.184 1.00 0.00 C ATOM 435 CG LEU A 26 -7.354 3.038 1.259 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.493 1.584 0.874 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.671 3.155 2.618 1.00 0.00 C ATOM 0 H LEU A 26 -8.499 5.340 0.010 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.029 5.475 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.061 3.648 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.574 3.391 0.113 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.348 3.478 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.047 1.054 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.029 1.508 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.503 1.140 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.241 2.598 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.662 2.747 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.621 4.204 2.911 1.00 0.00 H new ATOM 449 N LYS A 27 -6.034 6.219 -1.791 1.00 0.00 N ATOM 450 CA LYS A 27 -5.311 6.910 -2.863 1.00 0.00 C ATOM 451 C LYS A 27 -4.823 8.273 -2.367 1.00 0.00 C ATOM 452 O LYS A 27 -3.698 8.675 -2.633 1.00 0.00 O ATOM 453 CB LYS A 27 -6.247 7.138 -4.041 1.00 0.00 C ATOM 454 CG LYS A 27 -5.613 7.850 -5.225 1.00 0.00 C ATOM 455 CD LYS A 27 -6.663 8.370 -6.192 1.00 0.00 C ATOM 456 CE LYS A 27 -7.494 9.483 -5.551 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.497 10.041 -6.469 1.00 0.00 N ATOM 0 H LYS A 27 -6.987 5.960 -2.046 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.462 6.298 -3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.629 6.174 -4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.103 7.720 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.004 8.680 -4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.944 7.165 -5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.178 8.746 -7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.317 7.553 -6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.995 9.093 -4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.830 10.280 -5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.604 11.060 -6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.189 9.894 -7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.409 9.565 -6.317 1.00 0.00 H new ATOM 471 N LYS A 28 -5.697 8.972 -1.661 1.00 0.00 N ATOM 472 CA LYS A 28 -5.381 10.254 -1.059 1.00 0.00 C ATOM 473 C LYS A 28 -4.216 10.117 -0.091 1.00 0.00 C ATOM 474 O LYS A 28 -3.313 10.948 -0.083 1.00 0.00 O ATOM 475 CB LYS A 28 -6.618 10.844 -0.383 1.00 0.00 C ATOM 476 CG LYS A 28 -7.660 11.358 -1.380 1.00 0.00 C ATOM 477 CD LYS A 28 -9.068 11.408 -0.787 1.00 0.00 C ATOM 478 CE LYS A 28 -9.162 12.222 0.480 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.904 13.656 0.245 1.00 0.00 N ATOM 0 H LYS A 28 -6.653 8.662 -1.489 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.073 10.947 -1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.075 10.085 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.313 11.663 0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.375 12.355 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.663 10.715 -2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.750 11.825 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.403 10.391 -0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.154 12.100 0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.446 11.841 1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.980 14.174 1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.948 13.777 -0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.603 14.029 -0.429 1.00 0.00 H new ATOM 493 N LYS A 29 -4.219 9.052 0.692 1.00 0.00 N ATOM 494 CA LYS A 29 -3.098 8.764 1.574 1.00 0.00 C ATOM 495 C LYS A 29 -1.847 8.433 0.792 1.00 0.00 C ATOM 496 O LYS A 29 -0.765 8.855 1.157 1.00 0.00 O ATOM 497 CB LYS A 29 -3.408 7.667 2.593 1.00 0.00 C ATOM 498 CG LYS A 29 -3.986 8.182 3.910 1.00 0.00 C ATOM 499 CD LYS A 29 -5.345 8.824 3.757 1.00 0.00 C ATOM 500 CE LYS A 29 -5.816 9.404 5.078 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.991 10.565 5.508 1.00 0.00 N ATOM 0 H LYS A 29 -4.980 8.375 0.736 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.918 9.678 2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.113 6.964 2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.493 7.112 2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.061 7.354 4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.296 8.907 4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.298 9.611 3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.064 8.086 3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.857 9.714 4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.780 8.631 5.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.494 11.092 6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.081 10.226 5.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.821 11.190 4.695 1.00 0.00 H new ATOM 515 N LEU A 30 -2.007 7.717 -0.296 1.00 0.00 N ATOM 516 CA LEU A 30 -0.889 7.348 -1.139 1.00 0.00 C ATOM 517 C LEU A 30 -0.242 8.568 -1.773 1.00 0.00 C ATOM 518 O LEU A 30 0.966 8.729 -1.710 1.00 0.00 O ATOM 519 CB LEU A 30 -1.321 6.361 -2.226 1.00 0.00 C ATOM 520 CG LEU A 30 -1.884 5.029 -1.739 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.260 4.148 -2.914 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.895 4.323 -0.822 1.00 0.00 C ATOM 0 H LEU A 30 -2.910 7.374 -0.623 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.151 6.864 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.074 6.844 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.462 6.157 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.787 5.231 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.659 3.203 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.015 4.651 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.376 3.956 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.320 3.376 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.032 4.134 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.688 4.953 0.043 1.00 0.00 H new ATOM 534 N VAL A 31 -1.052 9.452 -2.333 1.00 0.00 N ATOM 535 CA VAL A 31 -0.531 10.630 -3.004 1.00 0.00 C ATOM 536 C VAL A 31 0.197 11.565 -2.015 1.00 0.00 C ATOM 537 O VAL A 31 1.266 12.104 -2.338 1.00 0.00 O ATOM 538 CB VAL A 31 -1.626 11.386 -3.851 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.727 11.982 -2.998 1.00 0.00 C ATOM 540 CG2 VAL A 31 -1.013 12.445 -4.751 1.00 0.00 C ATOM 0 H VAL A 31 -2.069 9.376 -2.336 1.00 0.00 H new ATOM 0 HA VAL A 31 0.209 10.281 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.087 10.626 -4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.449 12.489 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.228 11.188 -2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.297 12.699 -2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.801 12.942 -5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.485 13.179 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.312 11.975 -5.441 1.00 0.00 H new ATOM 550 N GLU A 32 -0.364 11.740 -0.811 1.00 0.00 N ATOM 551 CA GLU A 32 0.282 12.564 0.204 1.00 0.00 C ATOM 552 C GLU A 32 1.556 11.903 0.748 1.00 0.00 C ATOM 553 O GLU A 32 2.583 12.554 0.881 1.00 0.00 O ATOM 554 CB GLU A 32 -0.680 12.983 1.341 1.00 0.00 C ATOM 555 CG GLU A 32 -1.265 11.842 2.149 1.00 0.00 C ATOM 556 CD GLU A 32 -2.181 12.306 3.251 1.00 0.00 C ATOM 557 OE1 GLU A 32 -3.401 12.443 3.021 1.00 0.00 O ATOM 558 OE2 GLU A 32 -1.706 12.532 4.377 1.00 0.00 O ATOM 0 H GLU A 32 -1.251 11.326 -0.524 1.00 0.00 H new ATOM 0 HA GLU A 32 0.580 13.485 -0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.147 13.650 2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.499 13.557 0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.816 11.178 1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.453 11.258 2.582 1.00 0.00 H new ATOM 565 N VAL A 33 1.489 10.593 1.006 1.00 0.00 N ATOM 566 CA VAL A 33 2.602 9.854 1.590 1.00 0.00 C ATOM 567 C VAL A 33 3.817 9.856 0.659 1.00 0.00 C ATOM 568 O VAL A 33 4.942 9.841 1.113 1.00 0.00 O ATOM 569 CB VAL A 33 2.223 8.397 2.036 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.193 7.398 0.887 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.111 7.921 3.168 1.00 0.00 C ATOM 0 H VAL A 33 0.665 10.022 0.816 1.00 0.00 H new ATOM 0 HA VAL A 33 2.868 10.384 2.505 1.00 0.00 H new ATOM 0 HB VAL A 33 1.199 8.450 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.924 6.413 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.456 7.715 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.177 7.350 0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.824 6.909 3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.151 7.924 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.998 8.586 4.024 1.00 0.00 H new ATOM 581 N LEU A 34 3.559 9.898 -0.648 1.00 0.00 N ATOM 582 CA LEU A 34 4.600 9.882 -1.685 1.00 0.00 C ATOM 583 C LEU A 34 5.650 10.969 -1.521 1.00 0.00 C ATOM 584 O LEU A 34 6.772 10.794 -1.993 1.00 0.00 O ATOM 585 CB LEU A 34 4.007 9.983 -3.088 1.00 0.00 C ATOM 586 CG LEU A 34 3.245 8.775 -3.614 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.686 9.072 -4.990 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.150 7.562 -3.665 1.00 0.00 C ATOM 0 H LEU A 34 2.612 9.945 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 34 5.094 8.919 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.335 10.841 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.819 10.198 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 34 2.418 8.561 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.143 8.202 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.009 9.924 -4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.504 9.304 -5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.591 6.706 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.993 7.765 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.518 7.341 -2.663 1.00 0.00 H new ATOM 600 N GLU A 35 5.307 12.092 -0.882 1.00 0.00 N ATOM 601 CA GLU A 35 6.294 13.151 -0.703 1.00 0.00 C ATOM 602 C GLU A 35 7.403 12.700 0.251 1.00 0.00 C ATOM 603 O GLU A 35 8.527 13.178 0.171 1.00 0.00 O ATOM 604 CB GLU A 35 5.672 14.476 -0.226 1.00 0.00 C ATOM 605 CG GLU A 35 5.004 14.417 1.135 1.00 0.00 C ATOM 606 CD GLU A 35 4.542 15.767 1.607 1.00 0.00 C ATOM 607 OE1 GLU A 35 3.444 16.217 1.218 1.00 0.00 O ATOM 608 OE2 GLU A 35 5.269 16.411 2.394 1.00 0.00 O ATOM 0 H GLU A 35 4.384 12.285 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 35 6.726 13.345 -1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.452 15.237 -0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.936 14.800 -0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.151 13.740 1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.702 14.001 1.861 1.00 0.00 H new ATOM 615 N SER A 36 7.076 11.777 1.135 1.00 0.00 N ATOM 616 CA SER A 36 8.018 11.233 2.073 1.00 0.00 C ATOM 617 C SER A 36 7.515 9.926 2.675 1.00 0.00 C ATOM 618 O SER A 36 7.038 9.898 3.791 1.00 0.00 O ATOM 619 CB SER A 36 8.386 12.263 3.144 1.00 0.00 C ATOM 620 OG SER A 36 7.231 12.920 3.656 1.00 0.00 O ATOM 0 H SER A 36 6.138 11.385 1.217 1.00 0.00 H new ATOM 0 HA SER A 36 8.933 10.995 1.531 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.916 11.769 3.959 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.068 13.001 2.721 1.00 0.00 H new ATOM 0 HG SER A 36 7.500 13.570 4.339 1.00 0.00 H new ATOM 626 N PRO A 37 7.608 8.807 1.923 1.00 0.00 N ATOM 627 CA PRO A 37 7.097 7.502 2.367 1.00 0.00 C ATOM 628 C PRO A 37 7.989 6.817 3.408 1.00 0.00 C ATOM 629 O PRO A 37 7.793 5.668 3.730 1.00 0.00 O ATOM 630 CB PRO A 37 7.054 6.691 1.074 1.00 0.00 C ATOM 631 CG PRO A 37 8.154 7.260 0.257 1.00 0.00 C ATOM 632 CD PRO A 37 8.168 8.732 0.558 1.00 0.00 C ATOM 0 HA PRO A 37 6.134 7.599 2.869 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.206 5.629 1.264 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.091 6.790 0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.109 6.800 0.512 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.986 7.080 -0.805 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.177 9.142 0.515 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.565 9.294 -0.155 1.00 0.00 H new ATOM 640 N ARG A 38 8.930 7.561 3.945 1.00 0.00 N ATOM 641 CA ARG A 38 9.867 7.088 4.974 1.00 0.00 C ATOM 642 C ARG A 38 9.277 7.217 6.387 1.00 0.00 C ATOM 643 O ARG A 38 10.002 7.319 7.374 1.00 0.00 O ATOM 644 CB ARG A 38 11.218 7.848 4.855 1.00 0.00 C ATOM 645 CG ARG A 38 11.140 9.380 4.582 1.00 0.00 C ATOM 646 CD ARG A 38 10.391 10.191 5.652 1.00 0.00 C ATOM 647 NE ARG A 38 10.972 10.073 6.996 1.00 0.00 N ATOM 648 CZ ARG A 38 10.563 10.781 8.071 1.00 0.00 C ATOM 649 NH1 ARG A 38 9.660 11.756 7.934 1.00 0.00 N ATOM 650 NH2 ARG A 38 11.072 10.525 9.274 1.00 0.00 N ATOM 0 H ARG A 38 9.079 8.535 3.682 1.00 0.00 H new ATOM 0 HA ARG A 38 10.048 6.027 4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.776 7.695 5.779 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.797 7.389 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.154 9.771 4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.653 9.538 3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.383 11.241 5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.353 9.861 5.684 1.00 0.00 H new ATOM 0 HE ARG A 38 11.737 9.411 7.126 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.275 11.969 7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.355 12.287 8.750 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.773 9.792 9.386 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.761 11.061 10.084 1.00 0.00 H new ATOM 664 N ILE A 39 7.982 7.148 6.465 1.00 0.00 N ATOM 665 CA ILE A 39 7.260 7.353 7.693 1.00 0.00 C ATOM 666 C ILE A 39 7.245 6.070 8.512 1.00 0.00 C ATOM 667 O ILE A 39 6.407 5.181 8.315 1.00 0.00 O ATOM 668 CB ILE A 39 5.834 7.886 7.377 1.00 0.00 C ATOM 669 CG1 ILE A 39 5.999 9.223 6.647 1.00 0.00 C ATOM 670 CG2 ILE A 39 4.982 8.049 8.643 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.748 9.810 6.052 1.00 0.00 C ATOM 0 H ILE A 39 7.383 6.944 5.665 1.00 0.00 H new ATOM 0 HA ILE A 39 7.759 8.107 8.301 1.00 0.00 H new ATOM 0 HB ILE A 39 5.303 7.167 6.753 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.419 9.946 7.346 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.729 9.090 5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.995 8.424 8.372 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.880 7.084 9.140 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.465 8.755 9.318 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.986 10.754 5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.333 9.116 5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.017 9.986 6.842 1.00 0.00 H new ATOM 683 N GLU A 40 8.217 5.985 9.411 1.00 0.00 N ATOM 684 CA GLU A 40 8.456 4.823 10.254 1.00 0.00 C ATOM 685 C GLU A 40 7.255 4.454 11.115 1.00 0.00 C ATOM 686 O GLU A 40 7.108 3.297 11.508 1.00 0.00 O ATOM 687 CB GLU A 40 9.707 5.016 11.114 1.00 0.00 C ATOM 688 CG GLU A 40 9.679 6.262 11.976 1.00 0.00 C ATOM 689 CD GLU A 40 10.865 6.369 12.886 1.00 0.00 C ATOM 690 OE1 GLU A 40 11.896 6.951 12.485 1.00 0.00 O ATOM 691 OE2 GLU A 40 10.789 5.896 14.042 1.00 0.00 O ATOM 0 H GLU A 40 8.878 6.744 9.578 1.00 0.00 H new ATOM 0 HA GLU A 40 8.622 3.983 9.579 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.830 4.145 11.757 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.580 5.057 10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.640 7.141 11.333 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.768 6.264 12.574 1.00 0.00 H new ATOM 698 N ALA A 41 6.381 5.419 11.372 1.00 0.00 N ATOM 699 CA ALA A 41 5.170 5.178 12.151 1.00 0.00 C ATOM 700 C ALA A 41 4.229 4.219 11.411 1.00 0.00 C ATOM 701 O ALA A 41 3.360 3.588 12.014 1.00 0.00 O ATOM 702 CB ALA A 41 4.462 6.493 12.449 1.00 0.00 C ATOM 0 H ALA A 41 6.488 6.381 11.051 1.00 0.00 H new ATOM 0 HA ALA A 41 5.456 4.714 13.095 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.561 6.297 13.030 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.127 7.143 13.018 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.191 6.981 11.513 1.00 0.00 H new ATOM 708 N ASN A 42 4.419 4.099 10.105 1.00 0.00 N ATOM 709 CA ASN A 42 3.607 3.214 9.282 1.00 0.00 C ATOM 710 C ASN A 42 4.374 1.965 8.893 1.00 0.00 C ATOM 711 O ASN A 42 3.801 1.039 8.334 1.00 0.00 O ATOM 712 CB ASN A 42 3.142 3.917 7.988 1.00 0.00 C ATOM 713 CG ASN A 42 2.136 5.029 8.202 1.00 0.00 C ATOM 714 OD1 ASN A 42 1.352 5.011 9.156 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.130 5.993 7.312 1.00 0.00 N ATOM 0 H ASN A 42 5.136 4.609 9.588 1.00 0.00 H new ATOM 0 HA ASN A 42 2.740 2.942 9.884 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.014 4.327 7.479 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.705 3.173 7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.463 6.760 7.396 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.792 5.975 6.537 1.00 0.00 H new ATOM 722 N LYS A 43 5.659 1.931 9.192 1.00 0.00 N ATOM 723 CA LYS A 43 6.511 0.890 8.742 1.00 0.00 C ATOM 724 C LYS A 43 6.315 -0.405 9.518 1.00 0.00 C ATOM 725 O LYS A 43 6.200 -0.409 10.750 1.00 0.00 O ATOM 726 CB LYS A 43 7.948 1.360 8.820 1.00 0.00 C ATOM 727 CG LYS A 43 8.832 0.618 7.891 1.00 0.00 C ATOM 728 CD LYS A 43 10.230 1.210 7.817 1.00 0.00 C ATOM 729 CE LYS A 43 11.014 0.572 6.680 1.00 0.00 C ATOM 730 NZ LYS A 43 12.339 1.184 6.465 1.00 0.00 N ATOM 0 H LYS A 43 6.127 2.638 9.759 1.00 0.00 H new ATOM 0 HA LYS A 43 6.252 0.662 7.708 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.993 2.424 8.589 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.313 1.239 9.840 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.898 -0.422 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.388 0.618 6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.168 2.288 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.750 1.050 8.761 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.142 -0.490 6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.433 0.649 5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.917 0.560 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.224 2.105 5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.812 1.319 7.381 1.00 0.00 H new ATOM 744 N LEU A 44 6.282 -1.482 8.781 1.00 0.00 N ATOM 745 CA LEU A 44 6.119 -2.810 9.308 1.00 0.00 C ATOM 746 C LEU A 44 7.440 -3.325 9.808 1.00 0.00 C ATOM 747 O LEU A 44 8.485 -3.116 9.172 1.00 0.00 O ATOM 748 CB LEU A 44 5.583 -3.750 8.236 1.00 0.00 C ATOM 749 CG LEU A 44 4.187 -3.454 7.713 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.804 -4.434 6.635 1.00 0.00 C ATOM 751 CD2 LEU A 44 3.190 -3.530 8.826 1.00 0.00 C ATOM 0 H LEU A 44 6.371 -1.459 7.765 1.00 0.00 H new ATOM 0 HA LEU A 44 5.405 -2.770 10.131 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.274 -3.736 7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.590 -4.764 8.636 1.00 0.00 H new ATOM 0 HG LEU A 44 4.189 -2.447 7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.801 -4.205 6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.512 -4.362 5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.821 -5.446 7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.194 -3.316 8.438 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.203 -4.530 9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.445 -2.799 9.593 1.00 0.00 H new ATOM 763 N ARG A 45 7.404 -3.988 10.918 1.00 0.00 N ATOM 764 CA ARG A 45 8.579 -4.502 11.527 1.00 0.00 C ATOM 765 C ARG A 45 8.814 -5.932 11.043 1.00 0.00 C ATOM 766 O ARG A 45 7.945 -6.802 11.185 1.00 0.00 O ATOM 767 CB ARG A 45 8.421 -4.474 13.047 1.00 0.00 C ATOM 768 CG ARG A 45 7.965 -3.129 13.635 1.00 0.00 C ATOM 769 CD ARG A 45 8.859 -1.957 13.224 1.00 0.00 C ATOM 770 NE ARG A 45 10.252 -2.144 13.622 1.00 0.00 N ATOM 771 CZ ARG A 45 11.051 -1.202 14.142 1.00 0.00 C ATOM 772 NH1 ARG A 45 10.587 0.018 14.428 1.00 0.00 N ATOM 773 NH2 ARG A 45 12.311 -1.485 14.371 1.00 0.00 N ATOM 0 H ARG A 45 6.545 -4.188 11.431 1.00 0.00 H new ATOM 0 HA ARG A 45 9.437 -3.889 11.252 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.702 -5.240 13.335 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.375 -4.745 13.500 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.943 -2.928 13.314 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.950 -3.202 14.722 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.808 -1.829 12.143 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.477 -1.040 13.672 1.00 0.00 H new ATOM 0 HE ARG A 45 10.652 -3.073 13.493 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.609 0.246 14.251 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.211 0.721 14.823 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.673 -2.414 14.154 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.929 -0.777 14.766 1.00 0.00 H new ATOM 787 N GLY A 46 9.956 -6.169 10.437 1.00 0.00 N ATOM 788 CA GLY A 46 10.268 -7.500 9.946 1.00 0.00 C ATOM 789 C GLY A 46 9.775 -7.712 8.534 1.00 0.00 C ATOM 790 O GLY A 46 9.651 -8.838 8.068 1.00 0.00 O ATOM 0 H GLY A 46 10.679 -5.469 10.272 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.346 -7.656 9.981 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.817 -8.244 10.603 1.00 0.00 H new ATOM 794 N MET A 47 9.470 -6.638 7.874 1.00 0.00 N ATOM 795 CA MET A 47 9.013 -6.664 6.506 1.00 0.00 C ATOM 796 C MET A 47 9.895 -5.743 5.709 1.00 0.00 C ATOM 797 O MET A 47 10.135 -4.614 6.152 1.00 0.00 O ATOM 798 CB MET A 47 7.555 -6.203 6.410 1.00 0.00 C ATOM 799 CG MET A 47 6.522 -7.198 6.929 1.00 0.00 C ATOM 800 SD MET A 47 6.318 -8.642 5.851 1.00 0.00 S ATOM 801 CE MET A 47 5.677 -7.871 4.351 1.00 0.00 C ATOM 0 H MET A 47 9.530 -5.700 8.271 1.00 0.00 H new ATOM 0 HA MET A 47 9.066 -7.681 6.118 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.448 -5.271 6.965 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.329 -5.981 5.367 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.817 -7.533 7.923 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.562 -6.693 7.035 1.00 0.00 H new ATOM 0 HE1 MET A 47 4.987 -8.555 3.857 1.00 0.00 H new ATOM 0 HE2 MET A 47 5.153 -6.951 4.610 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.503 -7.641 3.679 1.00 0.00 H new ATOM 811 N PRO A 48 10.413 -6.203 4.550 1.00 0.00 N ATOM 812 CA PRO A 48 11.320 -5.416 3.706 1.00 0.00 C ATOM 813 C PRO A 48 10.716 -4.085 3.237 1.00 0.00 C ATOM 814 O PRO A 48 9.986 -4.028 2.239 1.00 0.00 O ATOM 815 CB PRO A 48 11.635 -6.336 2.514 1.00 0.00 C ATOM 816 CG PRO A 48 10.576 -7.388 2.540 1.00 0.00 C ATOM 817 CD PRO A 48 10.164 -7.541 3.977 1.00 0.00 C ATOM 0 HA PRO A 48 12.209 -5.121 4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.618 -5.783 1.575 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.628 -6.775 2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.726 -7.099 1.921 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.954 -8.330 2.142 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.116 -7.827 4.066 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.748 -8.310 4.483 1.00 0.00 H new ATOM 825 N ASP A 49 10.951 -3.057 4.054 1.00 0.00 N ATOM 826 CA ASP A 49 10.539 -1.665 3.828 1.00 0.00 C ATOM 827 C ASP A 49 9.082 -1.544 3.456 1.00 0.00 C ATOM 828 O ASP A 49 8.702 -0.784 2.562 1.00 0.00 O ATOM 829 CB ASP A 49 11.455 -0.941 2.834 1.00 0.00 C ATOM 830 CG ASP A 49 12.875 -0.810 3.350 1.00 0.00 C ATOM 831 OD1 ASP A 49 13.076 -0.602 4.582 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.823 -0.893 2.541 1.00 0.00 O ATOM 0 H ASP A 49 11.457 -3.174 4.932 1.00 0.00 H new ATOM 0 HA ASP A 49 10.653 -1.155 4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.463 -1.484 1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.053 0.051 2.629 1.00 0.00 H new ATOM 837 N CYS A 50 8.263 -2.265 4.177 1.00 0.00 N ATOM 838 CA CYS A 50 6.849 -2.258 3.945 1.00 0.00 C ATOM 839 C CYS A 50 6.169 -1.351 4.958 1.00 0.00 C ATOM 840 O CYS A 50 6.593 -1.269 6.108 1.00 0.00 O ATOM 841 CB CYS A 50 6.304 -3.675 4.032 1.00 0.00 C ATOM 842 SG CYS A 50 7.117 -4.851 2.919 1.00 0.00 S ATOM 0 H CYS A 50 8.561 -2.872 4.940 1.00 0.00 H new ATOM 0 HA CYS A 50 6.645 -1.874 2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.408 -4.030 5.057 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.238 -3.657 3.808 1.00 0.00 H new ATOM 0 HG CYS A 50 8.249 -4.355 2.516 1.00 0.00 H new ATOM 848 N TYR A 51 5.162 -0.654 4.519 1.00 0.00 N ATOM 849 CA TYR A 51 4.433 0.285 5.335 1.00 0.00 C ATOM 850 C TYR A 51 2.948 -0.011 5.203 1.00 0.00 C ATOM 851 O TYR A 51 2.508 -0.556 4.180 1.00 0.00 O ATOM 852 CB TYR A 51 4.708 1.741 4.885 1.00 0.00 C ATOM 853 CG TYR A 51 6.163 2.204 4.963 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.120 1.729 4.079 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.570 3.116 5.918 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.434 2.143 4.146 1.00 0.00 C ATOM 857 CE2 TYR A 51 7.887 3.538 5.992 1.00 0.00 C ATOM 858 CZ TYR A 51 8.812 3.045 5.100 1.00 0.00 C ATOM 859 OH TYR A 51 10.129 3.451 5.174 1.00 0.00 O ATOM 0 H TYR A 51 4.813 -0.721 3.563 1.00 0.00 H new ATOM 0 HA TYR A 51 4.756 0.181 6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.367 1.853 3.856 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.102 2.410 5.496 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.830 1.018 3.320 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.848 3.507 6.620 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.161 1.756 3.447 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.187 4.251 6.746 1.00 0.00 H new ATOM 0 HH TYR A 51 10.232 4.095 5.905 1.00 0.00 H new ATOM 869 N LYS A 52 2.201 0.325 6.221 1.00 0.00 N ATOM 870 CA LYS A 52 0.773 0.115 6.248 1.00 0.00 C ATOM 871 C LYS A 52 0.069 1.431 6.562 1.00 0.00 C ATOM 872 O LYS A 52 0.532 2.210 7.402 1.00 0.00 O ATOM 873 CB LYS A 52 0.412 -0.938 7.332 1.00 0.00 C ATOM 874 CG LYS A 52 0.843 -0.525 8.743 1.00 0.00 C ATOM 875 CD LYS A 52 0.552 -1.580 9.806 1.00 0.00 C ATOM 876 CE LYS A 52 1.232 -1.210 11.118 1.00 0.00 C ATOM 877 NZ LYS A 52 1.035 -2.228 12.172 1.00 0.00 N ATOM 0 H LYS A 52 2.570 0.758 7.068 1.00 0.00 H new ATOM 0 HA LYS A 52 0.448 -0.249 5.273 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.665 -1.105 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.884 -1.887 7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.912 -0.311 8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.334 0.400 9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.524 -1.666 9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.905 -2.554 9.468 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.300 -1.076 10.944 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.843 -0.253 11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.518 -1.925 13.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.018 -2.339 12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.430 -3.137 11.855 1.00 0.00 H new ATOM 891 N ILE A 53 -1.016 1.679 5.907 1.00 0.00 N ATOM 892 CA ILE A 53 -1.842 2.838 6.180 1.00 0.00 C ATOM 893 C ILE A 53 -3.246 2.333 6.452 1.00 0.00 C ATOM 894 O ILE A 53 -3.665 1.329 5.858 1.00 0.00 O ATOM 895 CB ILE A 53 -1.865 3.861 4.981 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.448 4.389 4.681 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.810 5.038 5.271 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.375 5.355 3.514 1.00 0.00 C ATOM 0 H ILE A 53 -1.369 1.085 5.157 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.431 3.375 7.035 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.235 3.328 4.105 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.061 4.884 5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.207 3.542 4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.804 5.726 4.426 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.821 4.663 5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.475 5.561 6.167 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.657 5.677 3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.728 4.860 2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.001 6.223 3.721 1.00 0.00 H new ATOM 910 N LYS A 54 -3.952 2.975 7.349 1.00 0.00 N ATOM 911 CA LYS A 54 -5.298 2.574 7.645 1.00 0.00 C ATOM 912 C LYS A 54 -6.243 3.743 7.432 1.00 0.00 C ATOM 913 O LYS A 54 -5.903 4.899 7.733 1.00 0.00 O ATOM 914 CB LYS A 54 -5.490 1.937 9.060 1.00 0.00 C ATOM 915 CG LYS A 54 -5.288 2.863 10.254 1.00 0.00 C ATOM 916 CD LYS A 54 -3.838 3.234 10.461 1.00 0.00 C ATOM 917 CE LYS A 54 -3.722 4.307 11.492 1.00 0.00 C ATOM 918 NZ LYS A 54 -2.328 4.755 11.684 1.00 0.00 N ATOM 0 H LYS A 54 -3.615 3.775 7.884 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.539 1.772 6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.497 1.524 9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.797 1.101 9.155 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.874 3.770 10.109 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.667 2.378 11.154 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.272 2.357 10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.405 3.575 9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.337 5.158 11.198 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.117 3.941 12.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.300 5.500 12.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.744 3.951 11.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.957 5.130 10.788 1.00 0.00 H new ATOM 932 N LEU A 55 -7.383 3.450 6.885 1.00 0.00 N ATOM 933 CA LEU A 55 -8.404 4.425 6.603 1.00 0.00 C ATOM 934 C LEU A 55 -9.197 4.632 7.912 1.00 0.00 C ATOM 935 O LEU A 55 -9.481 3.662 8.625 1.00 0.00 O ATOM 936 CB LEU A 55 -9.279 3.844 5.468 1.00 0.00 C ATOM 937 CG LEU A 55 -10.052 4.796 4.538 1.00 0.00 C ATOM 938 CD1 LEU A 55 -10.717 3.989 3.440 1.00 0.00 C ATOM 939 CD2 LEU A 55 -11.101 5.602 5.269 1.00 0.00 C ATOM 0 H LEU A 55 -7.641 2.501 6.613 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.015 5.390 6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.633 3.229 4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.007 3.175 5.928 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.332 5.501 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.266 4.659 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.957 3.457 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.407 3.271 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.614 6.256 4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.822 4.927 5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.624 6.205 6.041 1.00 0.00 H new ATOM 951 N ARG A 56 -9.515 5.882 8.241 1.00 0.00 N ATOM 952 CA ARG A 56 -10.146 6.201 9.524 1.00 0.00 C ATOM 953 C ARG A 56 -11.623 5.809 9.607 1.00 0.00 C ATOM 954 O ARG A 56 -12.014 5.062 10.514 1.00 0.00 O ATOM 955 CB ARG A 56 -9.977 7.684 9.885 1.00 0.00 C ATOM 956 CG ARG A 56 -8.537 8.144 10.099 1.00 0.00 C ATOM 957 CD ARG A 56 -7.821 7.328 11.165 1.00 0.00 C ATOM 958 NE ARG A 56 -8.547 7.297 12.446 1.00 0.00 N ATOM 959 CZ ARG A 56 -8.010 6.911 13.612 1.00 0.00 C ATOM 960 NH1 ARG A 56 -6.698 6.700 13.709 1.00 0.00 N ATOM 961 NH2 ARG A 56 -8.778 6.770 14.689 1.00 0.00 N ATOM 0 H ARG A 56 -9.348 6.690 7.641 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.618 5.588 10.254 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.419 8.287 9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.544 7.887 10.793 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.991 8.068 9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.533 9.195 10.386 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.686 6.308 10.805 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.826 7.744 11.327 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.524 7.589 12.446 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.099 6.832 12.894 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.293 6.406 14.598 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.779 6.956 14.629 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.366 6.476 15.574 1.00 0.00 H new ATOM 975 N SER A 57 -12.425 6.331 8.690 1.00 0.00 N ATOM 976 CA SER A 57 -13.865 6.116 8.678 1.00 0.00 C ATOM 977 C SER A 57 -14.189 4.628 8.518 1.00 0.00 C ATOM 978 O SER A 57 -14.773 4.004 9.407 1.00 0.00 O ATOM 979 CB SER A 57 -14.496 6.949 7.543 1.00 0.00 C ATOM 980 OG SER A 57 -15.911 6.876 7.550 1.00 0.00 O ATOM 0 H SER A 57 -12.092 6.920 7.927 1.00 0.00 H new ATOM 0 HA SER A 57 -14.286 6.441 9.629 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.187 7.989 7.643 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.120 6.596 6.583 1.00 0.00 H new ATOM 0 HG SER A 57 -16.270 7.418 6.817 1.00 0.00 H new ATOM 986 N SER A 58 -13.816 4.083 7.405 1.00 0.00 N ATOM 987 CA SER A 58 -13.986 2.696 7.149 1.00 0.00 C ATOM 988 C SER A 58 -12.638 2.023 7.301 1.00 0.00 C ATOM 989 O SER A 58 -11.685 2.420 6.635 1.00 0.00 O ATOM 990 CB SER A 58 -14.571 2.533 5.751 1.00 0.00 C ATOM 991 OG SER A 58 -13.913 3.407 4.828 1.00 0.00 O ATOM 0 H SER A 58 -13.379 4.599 6.641 1.00 0.00 H new ATOM 0 HA SER A 58 -14.676 2.228 7.851 1.00 0.00 H new ATOM 0 HB2 SER A 58 -14.462 1.499 5.423 1.00 0.00 H new ATOM 0 HB3 SER A 58 -15.639 2.751 5.769 1.00 0.00 H new ATOM 0 HG SER A 58 -14.537 3.662 4.117 1.00 0.00 H new ATOM 997 N GLY A 59 -12.563 1.042 8.176 1.00 0.00 N ATOM 998 CA GLY A 59 -11.318 0.391 8.518 1.00 0.00 C ATOM 999 C GLY A 59 -10.756 -0.498 7.433 1.00 0.00 C ATOM 1000 O GLY A 59 -10.837 -1.726 7.513 1.00 0.00 O ATOM 0 H GLY A 59 -13.373 0.672 8.674 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.579 1.154 8.764 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.470 -0.206 9.417 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.234 0.121 6.419 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.534 -0.549 5.367 1.00 0.00 C ATOM 1006 C TYR A 60 -8.079 -0.227 5.500 1.00 0.00 C ATOM 1007 O TYR A 60 -7.716 0.879 5.914 1.00 0.00 O ATOM 1008 CB TYR A 60 -10.052 -0.147 3.990 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.407 -0.715 3.665 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.569 -0.033 3.986 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.521 -1.941 3.030 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.805 -0.557 3.680 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.753 -2.472 2.723 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.889 -1.778 3.052 1.00 0.00 C ATOM 1015 OH TYR A 60 -15.124 -2.306 2.747 1.00 0.00 O ATOM 0 H TYR A 60 -10.285 1.132 6.297 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.697 -1.623 5.456 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.100 0.940 3.933 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.339 -0.475 3.233 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.505 0.923 4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.627 -2.490 2.771 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.703 -0.013 3.932 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.825 -3.428 2.227 1.00 0.00 H new ATOM 0 HH TYR A 60 -15.009 -3.173 2.305 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.255 -1.166 5.192 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.850 -1.025 5.368 1.00 0.00 C ATOM 1027 C ARG A 61 -5.150 -1.307 4.062 1.00 0.00 C ATOM 1028 O ARG A 61 -5.650 -2.074 3.227 1.00 0.00 O ATOM 1029 CB ARG A 61 -5.390 -2.004 6.437 1.00 0.00 C ATOM 1030 CG ARG A 61 -6.129 -1.839 7.758 1.00 0.00 C ATOM 1031 CD ARG A 61 -5.768 -2.922 8.727 1.00 0.00 C ATOM 1032 NE ARG A 61 -4.354 -2.886 9.075 1.00 0.00 N ATOM 1033 CZ ARG A 61 -3.690 -3.848 9.715 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -4.335 -4.903 10.230 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -2.394 -3.724 9.874 1.00 0.00 N ATOM 0 H ARG A 61 -7.540 -2.066 4.806 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.609 -0.009 5.681 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.531 -3.022 6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.321 -1.871 6.607 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.890 -0.868 8.191 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.204 -1.853 7.579 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.368 -2.816 9.631 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.012 -3.893 8.295 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.828 -2.055 8.806 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.348 -4.978 10.135 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.813 -5.632 10.717 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.912 -2.902 9.511 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.868 -4.450 10.361 1.00 0.00 H new ATOM 1049 N LEU A 62 -4.033 -0.692 3.873 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.272 -0.870 2.678 1.00 0.00 C ATOM 1051 C LEU A 62 -1.808 -1.062 3.062 1.00 0.00 C ATOM 1052 O LEU A 62 -1.287 -0.332 3.907 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.514 0.349 1.749 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.929 0.316 0.325 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.629 1.344 -0.538 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.453 0.630 0.341 1.00 0.00 C ATOM 0 H LEU A 62 -3.617 -0.047 4.545 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.578 -1.757 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.591 0.490 1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.117 1.232 2.250 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.079 -0.686 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.213 1.318 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.695 1.119 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.484 2.336 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.064 0.600 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.297 1.624 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.931 -0.107 0.951 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.179 -2.062 2.473 1.00 0.00 N ATOM 1069 CA VAL A 63 0.203 -2.405 2.752 1.00 0.00 C ATOM 1070 C VAL A 63 1.019 -2.320 1.461 1.00 0.00 C ATOM 1071 O VAL A 63 0.652 -2.929 0.427 1.00 0.00 O ATOM 1072 CB VAL A 63 0.327 -3.843 3.351 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.780 -4.191 3.654 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.520 -3.987 4.611 1.00 0.00 C ATOM 0 H VAL A 63 -1.619 -2.666 1.779 1.00 0.00 H new ATOM 0 HA VAL A 63 0.586 -1.697 3.488 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.045 -4.541 2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.834 -5.197 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.364 -4.146 2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.182 -3.479 4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.415 -4.997 5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.185 -3.268 5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.566 -3.799 4.370 1.00 0.00 H new ATOM 1084 N TYR A 64 2.100 -1.590 1.510 1.00 0.00 N ATOM 1085 CA TYR A 64 2.947 -1.393 0.358 1.00 0.00 C ATOM 1086 C TYR A 64 4.404 -1.472 0.749 1.00 0.00 C ATOM 1087 O TYR A 64 4.731 -1.304 1.910 1.00 0.00 O ATOM 1088 CB TYR A 64 2.649 -0.035 -0.315 1.00 0.00 C ATOM 1089 CG TYR A 64 2.792 1.205 0.566 1.00 0.00 C ATOM 1090 CD1 TYR A 64 4.035 1.682 0.964 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.678 1.905 0.969 1.00 0.00 C ATOM 1092 CE1 TYR A 64 4.150 2.811 1.738 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.783 3.035 1.740 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.024 3.486 2.123 1.00 0.00 C ATOM 1095 OH TYR A 64 3.137 4.612 2.900 1.00 0.00 O ATOM 0 H TYR A 64 2.422 -1.112 2.352 1.00 0.00 H new ATOM 0 HA TYR A 64 2.734 -2.188 -0.357 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.315 0.075 -1.171 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.631 -0.062 -0.704 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.927 1.155 0.659 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.700 1.557 0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.125 3.164 2.041 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.895 3.568 2.045 1.00 0.00 H new ATOM 0 HH TYR A 64 3.986 5.060 2.705 1.00 0.00 H new ATOM 1105 N GLN A 65 5.256 -1.740 -0.196 1.00 0.00 N ATOM 1106 CA GLN A 65 6.676 -1.718 0.047 1.00 0.00 C ATOM 1107 C GLN A 65 7.271 -0.526 -0.664 1.00 0.00 C ATOM 1108 O GLN A 65 6.834 -0.163 -1.758 1.00 0.00 O ATOM 1109 CB GLN A 65 7.379 -3.015 -0.383 1.00 0.00 C ATOM 1110 CG GLN A 65 7.283 -3.338 -1.873 1.00 0.00 C ATOM 1111 CD GLN A 65 8.138 -4.529 -2.289 1.00 0.00 C ATOM 1112 OE1 GLN A 65 7.788 -5.271 -3.211 1.00 0.00 O ATOM 1113 NE2 GLN A 65 9.288 -4.687 -1.677 1.00 0.00 N ATOM 0 H GLN A 65 4.993 -1.979 -1.152 1.00 0.00 H new ATOM 0 HA GLN A 65 6.833 -1.636 1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.432 -2.948 -0.108 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.954 -3.845 0.181 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.243 -3.540 -2.127 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.587 -2.463 -2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.552 -4.059 -0.918 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.918 -5.438 -1.960 1.00 0.00 H new ATOM 1122 N VAL A 66 8.202 0.114 -0.049 1.00 0.00 N ATOM 1123 CA VAL A 66 8.841 1.241 -0.658 1.00 0.00 C ATOM 1124 C VAL A 66 10.159 0.817 -1.244 1.00 0.00 C ATOM 1125 O VAL A 66 11.090 0.447 -0.518 1.00 0.00 O ATOM 1126 CB VAL A 66 9.047 2.412 0.342 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.820 3.560 -0.300 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.707 2.913 0.840 1.00 0.00 C ATOM 0 H VAL A 66 8.545 -0.121 0.883 1.00 0.00 H new ATOM 0 HA VAL A 66 8.186 1.608 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 66 9.630 2.036 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.947 4.363 0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.798 3.204 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.267 3.934 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.863 3.734 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.113 3.264 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.179 2.102 1.343 1.00 0.00 H new ATOM 1138 N ILE A 67 10.241 0.838 -2.545 1.00 0.00 N ATOM 1139 CA ILE A 67 11.462 0.516 -3.195 1.00 0.00 C ATOM 1140 C ILE A 67 12.210 1.817 -3.350 1.00 0.00 C ATOM 1141 O ILE A 67 11.988 2.584 -4.312 1.00 0.00 O ATOM 1142 CB ILE A 67 11.223 -0.109 -4.592 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.223 -1.273 -4.492 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.548 -0.597 -5.182 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.840 -1.866 -5.831 1.00 0.00 C ATOM 0 H ILE A 67 9.471 1.076 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 67 12.017 -0.218 -2.610 1.00 0.00 H new ATOM 0 HB ILE A 67 10.804 0.652 -5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.653 -2.056 -3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.322 -0.923 -3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.370 -1.035 -6.164 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.235 0.244 -5.279 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.985 -1.348 -4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.132 -2.681 -5.679 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.380 -1.097 -6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.732 -2.248 -6.328 1.00 0.00 H new ATOM 1157 N ASP A 68 13.076 2.089 -2.404 1.00 0.00 N ATOM 1158 CA ASP A 68 13.799 3.333 -2.366 1.00 0.00 C ATOM 1159 C ASP A 68 14.832 3.381 -3.465 1.00 0.00 C ATOM 1160 O ASP A 68 15.182 4.454 -3.943 1.00 0.00 O ATOM 1161 CB ASP A 68 14.440 3.551 -0.997 1.00 0.00 C ATOM 1162 CG ASP A 68 15.609 2.638 -0.702 1.00 0.00 C ATOM 1163 OD1 ASP A 68 15.388 1.455 -0.357 1.00 0.00 O ATOM 1164 OD2 ASP A 68 16.760 3.097 -0.803 1.00 0.00 O ATOM 0 H ASP A 68 13.298 1.452 -1.639 1.00 0.00 H new ATOM 0 HA ASP A 68 13.091 4.145 -2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.776 4.586 -0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.681 3.410 -0.227 1.00 0.00 H new ATOM 1169 N GLU A 69 15.261 2.202 -3.891 1.00 0.00 N ATOM 1170 CA GLU A 69 16.244 2.032 -4.970 1.00 0.00 C ATOM 1171 C GLU A 69 15.716 2.647 -6.264 1.00 0.00 C ATOM 1172 O GLU A 69 16.436 3.320 -6.997 1.00 0.00 O ATOM 1173 CB GLU A 69 16.408 0.545 -5.263 1.00 0.00 C ATOM 1174 CG GLU A 69 16.648 -0.349 -4.071 1.00 0.00 C ATOM 1175 CD GLU A 69 16.576 -1.797 -4.474 1.00 0.00 C ATOM 1176 OE1 GLU A 69 15.474 -2.320 -4.627 1.00 0.00 O ATOM 1177 OE2 GLU A 69 17.634 -2.427 -4.689 1.00 0.00 O ATOM 0 H GLU A 69 14.936 1.319 -3.496 1.00 0.00 H new ATOM 0 HA GLU A 69 17.176 2.502 -4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.512 0.197 -5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.241 0.423 -5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.625 -0.134 -3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.906 -0.143 -3.299 1.00 0.00 H new ATOM 1184 N LYS A 70 14.437 2.426 -6.506 1.00 0.00 N ATOM 1185 CA LYS A 70 13.803 2.819 -7.751 1.00 0.00 C ATOM 1186 C LYS A 70 12.915 4.032 -7.581 1.00 0.00 C ATOM 1187 O LYS A 70 12.348 4.530 -8.560 1.00 0.00 O ATOM 1188 CB LYS A 70 13.006 1.645 -8.323 1.00 0.00 C ATOM 1189 CG LYS A 70 13.865 0.477 -8.775 1.00 0.00 C ATOM 1190 CD LYS A 70 13.014 -0.694 -9.237 1.00 0.00 C ATOM 1191 CE LYS A 70 13.866 -1.823 -9.804 1.00 0.00 C ATOM 1192 NZ LYS A 70 14.837 -2.353 -8.823 1.00 0.00 N ATOM 0 H LYS A 70 13.809 1.969 -5.845 1.00 0.00 H new ATOM 0 HA LYS A 70 14.591 3.097 -8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.303 1.294 -7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.416 1.998 -9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.518 0.797 -9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.509 0.159 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.425 -1.068 -8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.309 -0.354 -9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.215 -2.631 -10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.402 -1.462 -10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.294 -3.203 -9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.559 -1.631 -8.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.342 -2.599 -7.942 1.00 0.00 H new ATOM 1206 N VAL A 71 12.794 4.499 -6.340 1.00 0.00 N ATOM 1207 CA VAL A 71 11.997 5.689 -5.996 1.00 0.00 C ATOM 1208 C VAL A 71 10.489 5.405 -6.283 1.00 0.00 C ATOM 1209 O VAL A 71 9.701 6.285 -6.616 1.00 0.00 O ATOM 1210 CB VAL A 71 12.527 6.977 -6.770 1.00 0.00 C ATOM 1211 CG1 VAL A 71 11.845 8.264 -6.306 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.043 7.117 -6.621 1.00 0.00 C ATOM 0 H VAL A 71 13.246 4.064 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 71 12.106 5.903 -4.933 1.00 0.00 H new ATOM 0 HB VAL A 71 12.276 6.829 -7.820 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.244 9.110 -6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.771 8.189 -6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.033 8.412 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.381 8.003 -7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.298 7.213 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.532 6.234 -7.033 1.00 0.00 H new ATOM 1222 N VAL A 72 10.085 4.174 -6.065 1.00 0.00 N ATOM 1223 CA VAL A 72 8.716 3.790 -6.332 1.00 0.00 C ATOM 1224 C VAL A 72 8.136 3.000 -5.160 1.00 0.00 C ATOM 1225 O VAL A 72 8.819 2.194 -4.533 1.00 0.00 O ATOM 1226 CB VAL A 72 8.571 3.005 -7.690 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.387 1.731 -7.697 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.109 2.701 -8.022 1.00 0.00 C ATOM 0 H VAL A 72 10.679 3.426 -5.706 1.00 0.00 H new ATOM 0 HA VAL A 72 8.136 4.706 -6.441 1.00 0.00 H new ATOM 0 HB VAL A 72 8.964 3.662 -8.466 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.258 1.221 -8.652 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.440 1.973 -7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.052 1.080 -6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.055 2.159 -8.966 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.675 2.092 -7.229 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.554 3.635 -8.108 1.00 0.00 H new ATOM 1238 N VAL A 73 6.918 3.293 -4.851 1.00 0.00 N ATOM 1239 CA VAL A 73 6.179 2.652 -3.817 1.00 0.00 C ATOM 1240 C VAL A 73 5.276 1.605 -4.464 1.00 0.00 C ATOM 1241 O VAL A 73 4.475 1.924 -5.341 1.00 0.00 O ATOM 1242 CB VAL A 73 5.342 3.699 -3.048 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.489 3.053 -1.994 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.249 4.750 -2.420 1.00 0.00 C ATOM 0 H VAL A 73 6.387 4.018 -5.334 1.00 0.00 H new ATOM 0 HA VAL A 73 6.849 2.170 -3.105 1.00 0.00 H new ATOM 0 HB VAL A 73 4.680 4.185 -3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.914 3.818 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.808 2.343 -2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.126 2.529 -1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.643 5.479 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.938 4.268 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.816 5.255 -3.202 1.00 0.00 H new ATOM 1254 N PHE A 74 5.422 0.389 -4.044 1.00 0.00 N ATOM 1255 CA PHE A 74 4.743 -0.732 -4.640 1.00 0.00 C ATOM 1256 C PHE A 74 3.679 -1.282 -3.682 1.00 0.00 C ATOM 1257 O PHE A 74 4.006 -1.843 -2.639 1.00 0.00 O ATOM 1258 CB PHE A 74 5.808 -1.793 -4.947 1.00 0.00 C ATOM 1259 CG PHE A 74 5.340 -3.006 -5.678 1.00 0.00 C ATOM 1260 CD1 PHE A 74 5.226 -2.986 -7.047 1.00 0.00 C ATOM 1261 CD2 PHE A 74 5.044 -4.176 -5.000 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.824 -4.101 -7.733 1.00 0.00 C ATOM 1263 CE2 PHE A 74 4.643 -5.300 -5.683 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.533 -5.261 -7.054 1.00 0.00 C ATOM 0 H PHE A 74 6.027 0.136 -3.263 1.00 0.00 H new ATOM 0 HA PHE A 74 4.228 -0.436 -5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.599 -1.324 -5.533 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.255 -2.112 -4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.456 -2.080 -7.589 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.129 -4.206 -3.924 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.735 -4.069 -8.809 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.415 -6.209 -5.146 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.218 -6.140 -7.596 1.00 0.00 H new ATOM 1274 N VAL A 75 2.422 -1.098 -4.029 1.00 0.00 N ATOM 1275 CA VAL A 75 1.309 -1.588 -3.223 1.00 0.00 C ATOM 1276 C VAL A 75 1.127 -3.076 -3.453 1.00 0.00 C ATOM 1277 O VAL A 75 1.028 -3.528 -4.603 1.00 0.00 O ATOM 1278 CB VAL A 75 -0.012 -0.833 -3.541 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.181 -1.373 -2.715 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.160 0.659 -3.304 1.00 0.00 C ATOM 0 H VAL A 75 2.137 -0.606 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 75 1.548 -1.404 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.244 -1.000 -4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.088 -0.821 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.326 -2.430 -2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.963 -1.253 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.774 1.174 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.426 0.834 -2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.951 1.041 -3.949 1.00 0.00 H new ATOM 1290 N ILE A 76 1.090 -3.838 -2.375 1.00 0.00 N ATOM 1291 CA ILE A 76 1.002 -5.278 -2.495 1.00 0.00 C ATOM 1292 C ILE A 76 -0.364 -5.784 -2.025 1.00 0.00 C ATOM 1293 O ILE A 76 -0.975 -6.639 -2.669 1.00 0.00 O ATOM 1294 CB ILE A 76 2.084 -5.979 -1.640 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.452 -5.313 -1.820 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.174 -7.446 -2.046 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.510 -5.833 -0.870 1.00 0.00 C ATOM 0 H ILE A 76 1.119 -3.487 -1.418 1.00 0.00 H new ATOM 0 HA ILE A 76 1.150 -5.514 -3.549 1.00 0.00 H new ATOM 0 HB ILE A 76 1.801 -5.896 -0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.789 -5.467 -2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.345 -4.238 -1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.936 -7.944 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.210 -7.929 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.440 -7.516 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.451 -5.316 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.195 -5.655 0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.646 -6.903 -1.028 1.00 0.00 H new ATOM 1309 N SER A 77 -0.850 -5.245 -0.928 1.00 0.00 N ATOM 1310 CA SER A 77 -2.093 -5.706 -0.350 1.00 0.00 C ATOM 1311 C SER A 77 -2.973 -4.527 0.016 1.00 0.00 C ATOM 1312 O SER A 77 -2.478 -3.498 0.487 1.00 0.00 O ATOM 1313 CB SER A 77 -1.807 -6.563 0.890 1.00 0.00 C ATOM 1314 OG SER A 77 -0.994 -7.691 0.566 1.00 0.00 O ATOM 0 H SER A 77 -0.401 -4.485 -0.417 1.00 0.00 H new ATOM 0 HA SER A 77 -2.620 -6.314 -1.085 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.307 -5.957 1.646 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.747 -6.903 1.324 1.00 0.00 H new ATOM 0 HG SER A 77 -0.606 -8.061 1.386 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.252 -4.662 -0.220 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.204 -3.628 0.080 1.00 0.00 C ATOM 1322 C VAL A 78 -6.570 -4.250 0.425 1.00 0.00 C ATOM 1323 O VAL A 78 -7.003 -5.225 -0.212 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.313 -2.592 -1.093 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.763 -3.236 -2.391 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -6.212 -1.429 -0.732 1.00 0.00 C ATOM 0 H VAL A 78 -4.664 -5.500 -0.629 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.854 -3.077 0.953 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.307 -2.204 -1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.823 -2.478 -3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.046 -4.003 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.744 -3.691 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.262 -0.734 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.213 -1.799 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.810 -0.916 0.142 1.00 0.00 H new ATOM 1336 N GLY A 79 -7.195 -3.749 1.460 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.497 -4.225 1.840 1.00 0.00 C ATOM 1338 C GLY A 79 -8.594 -4.338 3.323 1.00 0.00 C ATOM 1339 O GLY A 79 -7.996 -3.544 4.038 1.00 0.00 O ATOM 0 H GLY A 79 -6.821 -3.010 2.055 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.263 -3.544 1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.685 -5.196 1.381 1.00 0.00 H new ATOM 1343 N LYS A 80 -9.324 -5.290 3.803 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.400 -5.496 5.222 1.00 0.00 C ATOM 1345 C LYS A 80 -8.402 -6.550 5.628 1.00 0.00 C ATOM 1346 O LYS A 80 -8.202 -7.542 4.907 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.796 -5.922 5.670 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.904 -4.924 5.375 1.00 0.00 C ATOM 1349 CD LYS A 80 -13.247 -5.418 5.906 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.258 -5.490 7.432 1.00 0.00 C ATOM 1351 NZ LYS A 80 -14.504 -6.072 7.965 1.00 0.00 N ATOM 0 H LYS A 80 -9.876 -5.938 3.241 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.173 -4.546 5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.042 -6.867 5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.774 -6.109 6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.662 -3.963 5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.973 -4.760 4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.040 -4.751 5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.461 -6.404 5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.410 -6.086 7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.126 -4.488 7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.958 -5.392 8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.150 -6.289 7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.285 -6.946 8.485 1.00 0.00 H new ATOM 1365 N ALA A 81 -7.767 -6.332 6.742 1.00 0.00 N ATOM 1366 CA ALA A 81 -6.842 -7.281 7.285 1.00 0.00 C ATOM 1367 C ALA A 81 -7.453 -7.854 8.527 1.00 0.00 C ATOM 1368 O ALA A 81 -7.473 -7.195 9.581 1.00 0.00 O ATOM 1369 CB ALA A 81 -5.521 -6.618 7.607 1.00 0.00 C ATOM 0 H ALA A 81 -7.877 -5.486 7.302 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.644 -8.069 6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.834 -7.357 8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.096 -6.193 6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.680 -5.825 8.338 1.00 0.00 H new ATOM 1375 N GLU A 82 -7.988 -9.024 8.429 1.00 0.00 N ATOM 1376 CA GLU A 82 -8.713 -9.581 9.539 1.00 0.00 C ATOM 1377 C GLU A 82 -8.005 -10.788 10.109 1.00 0.00 C ATOM 1378 O GLU A 82 -7.990 -10.995 11.315 1.00 0.00 O ATOM 1379 CB GLU A 82 -10.162 -9.878 9.141 1.00 0.00 C ATOM 1380 CG GLU A 82 -10.857 -8.650 8.557 1.00 0.00 C ATOM 1381 CD GLU A 82 -12.336 -8.814 8.355 1.00 0.00 C ATOM 1382 OE1 GLU A 82 -12.754 -9.331 7.315 1.00 0.00 O ATOM 1383 OE2 GLU A 82 -13.111 -8.373 9.231 1.00 0.00 O ATOM 0 H GLU A 82 -7.942 -9.617 7.600 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.746 -8.841 10.339 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.179 -10.686 8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.714 -10.226 10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.685 -7.801 9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.396 -8.407 7.599 1.00 0.00 H new ATOM 1390 N ALA A 83 -7.364 -11.541 9.256 1.00 0.00 N ATOM 1391 CA ALA A 83 -6.635 -12.717 9.676 1.00 0.00 C ATOM 1392 C ALA A 83 -5.130 -12.458 9.631 1.00 0.00 C ATOM 1393 O ALA A 83 -4.335 -13.386 9.785 1.00 0.00 O ATOM 1394 CB ALA A 83 -6.999 -13.898 8.785 1.00 0.00 C ATOM 0 H ALA A 83 -7.330 -11.361 8.253 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.910 -12.953 10.704 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.446 -14.781 9.107 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.069 -14.093 8.858 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.743 -13.666 7.751 1.00 0.00 H new ATOM 1400 N SER A 84 -4.753 -11.180 9.405 1.00 0.00 N ATOM 1401 CA SER A 84 -3.338 -10.748 9.291 1.00 0.00 C ATOM 1402 C SER A 84 -2.706 -11.359 8.031 1.00 0.00 C ATOM 1403 O SER A 84 -1.488 -11.451 7.869 1.00 0.00 O ATOM 1404 CB SER A 84 -2.563 -11.102 10.566 1.00 0.00 C ATOM 1405 OG SER A 84 -3.174 -10.481 11.708 1.00 0.00 O ATOM 0 H SER A 84 -5.420 -10.416 9.296 1.00 0.00 H new ATOM 0 HA SER A 84 -3.295 -9.664 9.187 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.542 -12.184 10.699 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.528 -10.772 10.474 1.00 0.00 H new ATOM 0 HG SER A 84 -2.671 -10.716 12.516 1.00 0.00 H new ATOM 1411 N GLU A 85 -3.582 -11.638 7.118 1.00 0.00 N ATOM 1412 CA GLU A 85 -3.329 -12.265 5.867 1.00 0.00 C ATOM 1413 C GLU A 85 -2.536 -11.341 4.949 1.00 0.00 C ATOM 1414 O GLU A 85 -1.614 -11.782 4.260 1.00 0.00 O ATOM 1415 CB GLU A 85 -4.682 -12.673 5.214 1.00 0.00 C ATOM 1416 CG GLU A 85 -5.676 -11.518 4.905 1.00 0.00 C ATOM 1417 CD GLU A 85 -6.217 -10.788 6.131 1.00 0.00 C ATOM 1418 OE1 GLU A 85 -5.523 -9.916 6.670 1.00 0.00 O ATOM 1419 OE2 GLU A 85 -7.323 -11.100 6.596 1.00 0.00 O ATOM 0 H GLU A 85 -4.569 -11.414 7.242 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.728 -13.160 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.468 -13.198 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.179 -13.384 5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.179 -10.794 4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.517 -11.923 4.342 1.00 0.00 H new ATOM 1426 N VAL A 86 -2.851 -10.047 5.017 1.00 0.00 N ATOM 1427 CA VAL A 86 -2.239 -9.031 4.156 1.00 0.00 C ATOM 1428 C VAL A 86 -0.716 -8.967 4.288 1.00 0.00 C ATOM 1429 O VAL A 86 -0.033 -8.576 3.342 1.00 0.00 O ATOM 1430 CB VAL A 86 -2.836 -7.613 4.381 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -4.327 -7.596 4.065 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -2.577 -7.124 5.802 1.00 0.00 C ATOM 0 H VAL A 86 -3.538 -9.672 5.671 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.479 -9.354 3.143 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.335 -6.928 3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.722 -6.594 4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.482 -7.881 3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.845 -8.302 4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.006 -6.130 5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.037 -7.811 6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.503 -7.081 5.982 1.00 0.00 H new ATOM 1442 N TYR A 87 -0.194 -9.365 5.446 1.00 0.00 N ATOM 1443 CA TYR A 87 1.243 -9.335 5.679 1.00 0.00 C ATOM 1444 C TYR A 87 1.887 -10.513 4.976 1.00 0.00 C ATOM 1445 O TYR A 87 2.844 -10.362 4.211 1.00 0.00 O ATOM 1446 CB TYR A 87 1.570 -9.442 7.169 1.00 0.00 C ATOM 1447 CG TYR A 87 0.930 -8.416 8.071 1.00 0.00 C ATOM 1448 CD1 TYR A 87 1.311 -7.085 8.038 1.00 0.00 C ATOM 1449 CD2 TYR A 87 -0.027 -8.799 8.991 1.00 0.00 C ATOM 1450 CE1 TYR A 87 0.750 -6.168 8.903 1.00 0.00 C ATOM 1451 CE2 TYR A 87 -0.597 -7.891 9.850 1.00 0.00 C ATOM 1452 CZ TYR A 87 -0.204 -6.579 9.806 1.00 0.00 C ATOM 1453 OH TYR A 87 -0.761 -5.672 10.682 1.00 0.00 O ATOM 0 H TYR A 87 -0.744 -9.710 6.233 1.00 0.00 H new ATOM 0 HA TYR A 87 1.623 -8.388 5.296 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.273 -10.433 7.514 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.651 -9.374 7.287 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.056 -6.761 7.327 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.333 -9.834 9.036 1.00 0.00 H new ATOM 0 HE1 TYR A 87 1.058 -5.133 8.872 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.350 -8.209 10.556 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.418 -6.127 11.250 1.00 0.00 H new ATOM 1463 N SER A 88 1.327 -11.679 5.225 1.00 0.00 N ATOM 1464 CA SER A 88 1.820 -12.926 4.701 1.00 0.00 C ATOM 1465 C SER A 88 1.762 -12.948 3.174 1.00 0.00 C ATOM 1466 O SER A 88 2.727 -13.349 2.517 1.00 0.00 O ATOM 1467 CB SER A 88 1.003 -14.051 5.305 1.00 0.00 C ATOM 1468 OG SER A 88 0.979 -13.906 6.719 1.00 0.00 O ATOM 0 H SER A 88 0.498 -11.783 5.811 1.00 0.00 H new ATOM 0 HA SER A 88 2.869 -13.051 4.971 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.012 -14.032 4.909 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.433 -15.015 5.034 1.00 0.00 H new ATOM 0 HG SER A 88 0.450 -14.631 7.113 1.00 0.00 H new ATOM 1474 N GLU A 89 0.661 -12.462 2.614 1.00 0.00 N ATOM 1475 CA GLU A 89 0.506 -12.418 1.167 1.00 0.00 C ATOM 1476 C GLU A 89 1.510 -11.449 0.555 1.00 0.00 C ATOM 1477 O GLU A 89 1.978 -11.644 -0.565 1.00 0.00 O ATOM 1478 CB GLU A 89 -0.897 -11.988 0.773 1.00 0.00 C ATOM 1479 CG GLU A 89 -2.013 -12.844 1.329 1.00 0.00 C ATOM 1480 CD GLU A 89 -3.354 -12.427 0.790 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -3.727 -11.254 0.924 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -4.038 -13.261 0.173 1.00 0.00 O ATOM 0 H GLU A 89 -0.134 -12.095 3.138 1.00 0.00 H new ATOM 0 HA GLU A 89 0.685 -13.425 0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.051 -10.960 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.968 -11.988 -0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.829 -13.889 1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.019 -12.772 2.417 1.00 0.00 H new ATOM 1489 N ALA A 90 1.858 -10.424 1.314 1.00 0.00 N ATOM 1490 CA ALA A 90 2.780 -9.417 0.854 1.00 0.00 C ATOM 1491 C ALA A 90 4.193 -9.965 0.791 1.00 0.00 C ATOM 1492 O ALA A 90 4.834 -9.921 -0.261 1.00 0.00 O ATOM 1493 CB ALA A 90 2.718 -8.172 1.727 1.00 0.00 C ATOM 0 H ALA A 90 1.508 -10.273 2.260 1.00 0.00 H new ATOM 0 HA ALA A 90 2.483 -9.130 -0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.425 -7.431 1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.710 -7.758 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.974 -8.434 2.753 1.00 0.00 H new ATOM 1499 N VAL A 91 4.661 -10.532 1.897 1.00 0.00 N ATOM 1500 CA VAL A 91 6.022 -11.049 1.969 1.00 0.00 C ATOM 1501 C VAL A 91 6.238 -12.205 0.973 1.00 0.00 C ATOM 1502 O VAL A 91 7.276 -12.290 0.321 1.00 0.00 O ATOM 1503 CB VAL A 91 6.436 -11.453 3.431 1.00 0.00 C ATOM 1504 CG1 VAL A 91 5.597 -12.595 3.985 1.00 0.00 C ATOM 1505 CG2 VAL A 91 7.923 -11.766 3.524 1.00 0.00 C ATOM 0 H VAL A 91 4.120 -10.645 2.754 1.00 0.00 H new ATOM 0 HA VAL A 91 6.684 -10.234 1.677 1.00 0.00 H new ATOM 0 HB VAL A 91 6.235 -10.584 4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.927 -12.831 4.997 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.548 -12.299 4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.714 -13.474 3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.173 -12.041 4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.163 -12.594 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.499 -10.887 3.233 1.00 0.00 H new ATOM 1515 N LYS A 92 5.216 -13.028 0.794 1.00 0.00 N ATOM 1516 CA LYS A 92 5.288 -14.159 -0.124 1.00 0.00 C ATOM 1517 C LYS A 92 5.160 -13.722 -1.585 1.00 0.00 C ATOM 1518 O LYS A 92 5.349 -14.525 -2.505 1.00 0.00 O ATOM 1519 CB LYS A 92 4.262 -15.239 0.236 1.00 0.00 C ATOM 1520 CG LYS A 92 4.505 -15.902 1.599 1.00 0.00 C ATOM 1521 CD LYS A 92 5.877 -16.586 1.678 1.00 0.00 C ATOM 1522 CE LYS A 92 6.009 -17.746 0.692 1.00 0.00 C ATOM 1523 NZ LYS A 92 5.048 -18.830 0.982 1.00 0.00 N ATOM 0 H LYS A 92 4.321 -12.934 1.275 1.00 0.00 H new ATOM 0 HA LYS A 92 6.279 -14.599 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.266 -14.795 0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.272 -16.007 -0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 92 4.431 -15.150 2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.723 -16.638 1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.658 -15.852 1.477 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.038 -16.954 2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.848 -17.380 -0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.024 -18.141 0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.280 -19.663 0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.102 -19.081 1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.085 -18.509 0.756 1.00 0.00 H new ATOM 1537 N ARG A 93 4.789 -12.473 -1.790 1.00 0.00 N ATOM 1538 CA ARG A 93 4.730 -11.903 -3.119 1.00 0.00 C ATOM 1539 C ARG A 93 6.102 -11.362 -3.494 1.00 0.00 C ATOM 1540 O ARG A 93 6.517 -11.410 -4.658 1.00 0.00 O ATOM 1541 CB ARG A 93 3.654 -10.801 -3.198 1.00 0.00 C ATOM 1542 CG ARG A 93 3.523 -10.113 -4.555 1.00 0.00 C ATOM 1543 CD ARG A 93 3.171 -11.095 -5.663 1.00 0.00 C ATOM 1544 NE ARG A 93 3.021 -10.418 -6.952 1.00 0.00 N ATOM 1545 CZ ARG A 93 3.076 -10.997 -8.152 1.00 0.00 C ATOM 1546 NH1 ARG A 93 3.332 -12.289 -8.269 1.00 0.00 N ATOM 1547 NH2 ARG A 93 2.886 -10.256 -9.225 1.00 0.00 N ATOM 0 H ARG A 93 4.522 -11.830 -1.045 1.00 0.00 H new ATOM 0 HA ARG A 93 4.449 -12.679 -3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.690 -11.238 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.876 -10.044 -2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 93 2.755 -9.342 -4.497 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.460 -9.612 -4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.949 -11.855 -5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.245 -11.612 -5.412 1.00 0.00 H new ATOM 0 HE ARG A 93 2.860 -9.411 -6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.490 -12.855 -7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.371 -12.720 -9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.701 -9.258 -9.129 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.924 -10.681 -10.152 1.00 0.00 H new ATOM 1561 N ILE A 94 6.805 -10.890 -2.499 1.00 0.00 N ATOM 1562 CA ILE A 94 8.131 -10.333 -2.673 1.00 0.00 C ATOM 1563 C ILE A 94 9.150 -11.458 -2.811 1.00 0.00 C ATOM 1564 O ILE A 94 9.963 -11.464 -3.744 1.00 0.00 O ATOM 1565 CB ILE A 94 8.502 -9.454 -1.460 1.00 0.00 C ATOM 1566 CG1 ILE A 94 7.438 -8.379 -1.271 1.00 0.00 C ATOM 1567 CG2 ILE A 94 9.882 -8.815 -1.654 1.00 0.00 C ATOM 1568 CD1 ILE A 94 7.547 -7.641 0.031 1.00 0.00 C ATOM 0 H ILE A 94 6.475 -10.879 -1.534 1.00 0.00 H new ATOM 0 HA ILE A 94 8.138 -9.721 -3.575 1.00 0.00 H new ATOM 0 HB ILE A 94 8.545 -10.079 -0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.508 -7.664 -2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 94 6.453 -8.841 -1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 94 10.123 -8.200 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.633 -9.597 -1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.872 -8.193 -2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.757 -6.893 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.446 -8.344 0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.518 -7.149 0.090 1.00 0.00 H new ATOM 1580 N LEU A 95 9.083 -12.402 -1.895 1.00 0.00 N ATOM 1581 CA LEU A 95 9.984 -13.536 -1.860 1.00 0.00 C ATOM 1582 C LEU A 95 9.647 -14.512 -2.959 1.00 0.00 C ATOM 1583 O LEU A 95 10.494 -14.752 -3.842 1.00 0.00 O ATOM 1584 CB LEU A 95 9.938 -14.240 -0.504 1.00 0.00 C ATOM 1585 CG LEU A 95 10.361 -13.418 0.714 1.00 0.00 C ATOM 1586 CD1 LEU A 95 10.264 -14.260 1.972 1.00 0.00 C ATOM 1587 CD2 LEU A 95 11.773 -12.877 0.541 1.00 0.00 C ATOM 1588 OXT LEU A 95 8.511 -15.008 -2.988 1.00 0.00 O ATOM 0 H LEU A 95 8.393 -12.403 -1.144 1.00 0.00 H new ATOM 0 HA LEU A 95 10.995 -13.160 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.920 -14.593 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.576 -15.122 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 95 9.684 -12.569 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.568 -13.664 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.236 -14.595 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.919 -15.127 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 95 12.050 -12.296 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.469 -13.707 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 95 11.813 -12.240 -0.342 1.00 0.00 H new TER 1600 LEU A 95