USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1076 hydrogens (28 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 29 TYR OH : rot 153:sc= -0.299 USER MOD Set 1.2: A 97 THR OG1 : rot 61:sc= 0.392 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -1 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 150:sc= 0 (180deg=-1.04) USER MOD Single : A 28 GLN : amide:sc= 0.0409 K(o=0.041,f=-2.6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.966 K(o=-0.97,f=-8.8!) USER MOD Single : A 38 SER OG : rot -38:sc= 0.83 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -51:sc= -3.55! USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 63 GLN : amide:sc= -0.063 K(o=-0.063,f=-0.73) USER MOD Single : A 65 GLN : amide:sc= -2.39 X(o=-2.4,f=-2.6) USER MOD Single : A 67 SER OG : rot 93:sc= 0.173 USER MOD Single : A 69 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.18) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 51:sc= 0.311 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.238 USER MOD Single : A 80 ASN : amide:sc= -0.212 K(o=-0.21,f=-0.82) USER MOD Single : A 81 THR OG1 : rot -131:sc= -1.23 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 94:sc= 0.246 USER MOD Single : A 89 HIS : no HE2:sc= -2.34! C(o=-2.3!,f=-4.3!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 95 LYS NZ :NH3+ 146:sc= 0.689 (180deg=0.167) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -118:sc= 0.159 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= -0.113 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot -99:sc= 0.436 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.16) USER MOD Single : A 126 SER OG : rot 63:sc= 0.0185 USER MOD Single : A 127 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.15) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 PBU O2 : rot -156:sc= 0.0628 USER MOD Single : A 300 PBU O3 : rot 180:sc= 0.0677 USER MOD Single : A 300 PBU O6 : rot 180:sc= -0.0625 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 3.702 -0.659 8.516 1.00 13.00 N ATOM 2 CA GLY A 2 2.936 -0.718 7.285 1.00 45.03 C ATOM 3 C GLY A 2 1.951 0.427 7.159 1.00 74.45 C ATOM 4 O GLY A 2 0.796 0.309 7.565 1.00 70.43 O ATOM 0 HA2 GLY A 2 3.618 -0.701 6.435 1.00 45.03 H new ATOM 0 HA3 GLY A 2 2.396 -1.664 7.242 1.00 45.03 H new ATOM 8 N ALA A 3 2.410 1.540 6.596 1.00 61.25 N ATOM 9 CA ALA A 3 1.562 2.712 6.417 1.00 41.32 C ATOM 10 C ALA A 3 0.256 2.343 5.721 1.00 71.03 C ATOM 11 O ALA A 3 0.259 1.661 4.696 1.00 35.03 O ATOM 12 CB ALA A 3 2.300 3.783 5.626 1.00 4.40 C ATOM 0 H ALA A 3 3.365 1.655 6.256 1.00 61.25 H new ATOM 0 HA ALA A 3 1.319 3.108 7.403 1.00 41.32 H new ATOM 0 HB1 ALA A 3 1.654 4.652 5.500 1.00 4.40 H new ATOM 0 HB2 ALA A 3 3.202 4.076 6.164 1.00 4.40 H new ATOM 0 HB3 ALA A 3 2.573 3.389 4.647 1.00 4.40 H new ATOM 18 N ARG A 4 -0.858 2.798 6.284 1.00 5.33 N ATOM 19 CA ARG A 4 -2.172 2.513 5.719 1.00 52.14 C ATOM 20 C ARG A 4 -2.274 3.040 4.291 1.00 72.31 C ATOM 21 O ARG A 4 -2.390 2.268 3.341 1.00 62.35 O ATOM 22 CB ARG A 4 -3.269 3.136 6.584 1.00 63.03 C ATOM 23 CG ARG A 4 -4.604 2.416 6.486 1.00 13.34 C ATOM 24 CD ARG A 4 -5.708 3.192 7.187 1.00 14.32 C ATOM 25 NE ARG A 4 -5.582 3.129 8.641 1.00 0.11 N ATOM 26 CZ ARG A 4 -5.830 2.036 9.354 1.00 51.21 C ATOM 27 NH1 ARG A 4 -6.213 0.919 8.750 1.00 65.41 N ATOM 28 NH2 ARG A 4 -5.693 2.058 10.674 1.00 53.23 N ATOM 0 H ARG A 4 -0.877 3.366 7.131 1.00 5.33 H new ATOM 0 HA ARG A 4 -2.305 1.431 5.700 1.00 52.14 H new ATOM 0 HB2 ARG A 4 -2.943 3.138 7.624 1.00 63.03 H new ATOM 0 HB3 ARG A 4 -3.405 4.177 6.290 1.00 63.03 H new ATOM 0 HG2 ARG A 4 -4.866 2.275 5.438 1.00 13.34 H new ATOM 0 HG3 ARG A 4 -4.517 1.424 6.929 1.00 13.34 H new ATOM 0 HD2 ARG A 4 -5.680 4.233 6.865 1.00 14.32 H new ATOM 0 HD3 ARG A 4 -6.677 2.792 6.889 1.00 14.32 H new ATOM 0 HE ARG A 4 -5.287 3.971 9.136 1.00 0.11 H new ATOM 0 HH11 ARG A 4 -6.318 0.898 7.736 1.00 65.41 H new ATOM 0 HH12 ARG A 4 -6.403 0.081 9.300 1.00 65.41 H new ATOM 0 HH21 ARG A 4 -5.397 2.915 11.142 1.00 53.23 H new ATOM 0 HH22 ARG A 4 -5.884 1.218 11.221 1.00 53.23 H new ATOM 42 N ALA A 5 -2.230 4.361 4.149 1.00 24.50 N ATOM 43 CA ALA A 5 -2.316 4.992 2.838 1.00 40.43 C ATOM 44 C ALA A 5 -2.082 6.496 2.935 1.00 44.02 C ATOM 45 O ALA A 5 -2.911 7.228 3.476 1.00 53.12 O ATOM 46 CB ALA A 5 -3.670 4.706 2.202 1.00 15.41 C ATOM 0 H ALA A 5 -2.135 5.015 4.926 1.00 24.50 H new ATOM 0 HA ALA A 5 -1.534 4.570 2.207 1.00 40.43 H new ATOM 0 HB1 ALA A 5 -3.720 5.183 1.223 1.00 15.41 H new ATOM 0 HB2 ALA A 5 -3.798 3.630 2.088 1.00 15.41 H new ATOM 0 HB3 ALA A 5 -4.462 5.100 2.839 1.00 15.41 H new ATOM 52 N SER A 6 -0.950 6.949 2.409 1.00 74.13 N ATOM 53 CA SER A 6 -0.604 8.365 2.441 1.00 64.41 C ATOM 54 C SER A 6 -1.232 9.104 1.263 1.00 45.24 C ATOM 55 O SER A 6 -1.435 8.531 0.193 1.00 41.25 O ATOM 56 CB SER A 6 0.914 8.543 2.417 1.00 33.44 C ATOM 57 OG SER A 6 1.371 8.858 1.114 1.00 53.24 O ATOM 0 H SER A 6 -0.256 6.356 1.955 1.00 74.13 H new ATOM 0 HA SER A 6 -0.997 8.788 3.366 1.00 64.41 H new ATOM 0 HB2 SER A 6 1.201 9.336 3.108 1.00 33.44 H new ATOM 0 HB3 SER A 6 1.396 7.629 2.763 1.00 33.44 H new ATOM 0 HG SER A 6 2.345 8.968 1.127 1.00 53.24 H new ATOM 63 N VAL A 7 -1.538 10.381 1.469 1.00 24.12 N ATOM 64 CA VAL A 7 -2.143 11.200 0.425 1.00 52.12 C ATOM 65 C VAL A 7 -1.229 12.358 0.036 1.00 52.40 C ATOM 66 O VAL A 7 -0.912 12.545 -1.140 1.00 3.33 O ATOM 67 CB VAL A 7 -3.505 11.764 0.871 1.00 51.11 C ATOM 68 CG1 VAL A 7 -4.118 12.615 -0.231 1.00 41.32 C ATOM 69 CG2 VAL A 7 -4.444 10.635 1.269 1.00 12.12 C ATOM 0 H VAL A 7 -1.377 10.871 2.349 1.00 24.12 H new ATOM 0 HA VAL A 7 -2.292 10.552 -0.438 1.00 52.12 H new ATOM 0 HB VAL A 7 -3.348 12.400 1.742 1.00 51.11 H new ATOM 0 HG11 VAL A 7 -5.080 13.005 0.103 1.00 41.32 H new ATOM 0 HG12 VAL A 7 -3.451 13.445 -0.463 1.00 41.32 H new ATOM 0 HG13 VAL A 7 -4.263 12.006 -1.123 1.00 41.32 H new ATOM 0 HG21 VAL A 7 -5.402 11.051 1.581 1.00 12.12 H new ATOM 0 HG22 VAL A 7 -4.597 9.972 0.418 1.00 12.12 H new ATOM 0 HG23 VAL A 7 -4.007 10.072 2.094 1.00 12.12 H new ATOM 79 N LEU A 8 -0.807 13.130 1.031 1.00 2.13 N ATOM 80 CA LEU A 8 0.072 14.270 0.794 1.00 71.25 C ATOM 81 C LEU A 8 1.451 14.029 1.400 1.00 23.52 C ATOM 82 O LEU A 8 1.569 13.529 2.519 1.00 74.11 O ATOM 83 CB LEU A 8 -0.541 15.543 1.381 1.00 42.11 C ATOM 84 CG LEU A 8 -1.756 16.105 0.642 1.00 1.11 C ATOM 85 CD1 LEU A 8 -2.586 16.980 1.569 1.00 71.33 C ATOM 86 CD2 LEU A 8 -1.317 16.890 -0.585 1.00 63.21 C ATOM 0 H LEU A 8 -1.059 12.988 2.009 1.00 2.13 H new ATOM 0 HA LEU A 8 0.185 14.393 -0.283 1.00 71.25 H new ATOM 0 HB2 LEU A 8 -0.830 15.341 2.413 1.00 42.11 H new ATOM 0 HB3 LEU A 8 0.230 16.313 1.410 1.00 42.11 H new ATOM 0 HG LEU A 8 -2.375 15.271 0.312 1.00 1.11 H new ATOM 0 HD11 LEU A 8 -3.446 17.371 1.026 1.00 71.33 H new ATOM 0 HD12 LEU A 8 -2.930 16.388 2.417 1.00 71.33 H new ATOM 0 HD13 LEU A 8 -1.977 17.809 1.929 1.00 71.33 H new ATOM 0 HD21 LEU A 8 -2.194 17.283 -1.099 1.00 63.21 H new ATOM 0 HD22 LEU A 8 -0.676 17.716 -0.278 1.00 63.21 H new ATOM 0 HD23 LEU A 8 -0.766 16.234 -1.259 1.00 63.21 H new ATOM 98 N SER A 9 2.491 14.392 0.656 1.00 44.43 N ATOM 99 CA SER A 9 3.862 14.214 1.119 1.00 1.31 C ATOM 100 C SER A 9 4.206 15.233 2.200 1.00 32.13 C ATOM 101 O SER A 9 3.330 15.921 2.723 1.00 51.40 O ATOM 102 CB SER A 9 4.838 14.344 -0.051 1.00 73.44 C ATOM 103 OG SER A 9 5.342 15.666 -0.151 1.00 4.14 O ATOM 0 H SER A 9 2.410 14.811 -0.270 1.00 44.43 H new ATOM 0 HA SER A 9 3.949 13.215 1.546 1.00 1.31 H new ATOM 0 HB2 SER A 9 5.664 13.646 0.081 1.00 73.44 H new ATOM 0 HB3 SER A 9 4.336 14.072 -0.979 1.00 73.44 H new ATOM 0 HG SER A 9 5.965 15.722 -0.905 1.00 4.14 H new ATOM 109 N GLY A 10 5.491 15.325 2.531 1.00 64.01 N ATOM 110 CA GLY A 10 5.930 16.262 3.548 1.00 33.32 C ATOM 111 C GLY A 10 5.646 17.703 3.170 1.00 52.34 C ATOM 112 O GLY A 10 4.887 18.392 3.850 1.00 53.35 O ATOM 0 H GLY A 10 6.235 14.767 2.113 1.00 64.01 H new ATOM 0 HA2 GLY A 10 5.431 16.032 4.490 1.00 33.32 H new ATOM 0 HA3 GLY A 10 7.000 16.137 3.715 1.00 33.32 H new ATOM 116 N GLY A 11 6.261 18.160 2.083 1.00 54.32 N ATOM 117 CA GLY A 11 6.060 19.526 1.637 1.00 61.15 C ATOM 118 C GLY A 11 4.600 19.841 1.373 1.00 13.44 C ATOM 119 O GLY A 11 4.151 20.963 1.600 1.00 62.01 O ATOM 0 H GLY A 11 6.894 17.609 1.504 1.00 54.32 H new ATOM 0 HA2 GLY A 11 6.446 20.212 2.391 1.00 61.15 H new ATOM 0 HA3 GLY A 11 6.636 19.696 0.727 1.00 61.15 H new ATOM 123 N GLU A 12 3.859 18.847 0.893 1.00 61.15 N ATOM 124 CA GLU A 12 2.443 19.025 0.596 1.00 2.41 C ATOM 125 C GLU A 12 1.626 19.125 1.882 1.00 12.30 C ATOM 126 O GLU A 12 0.720 19.951 1.992 1.00 30.44 O ATOM 127 CB GLU A 12 1.928 17.866 -0.259 1.00 2.01 C ATOM 128 CG GLU A 12 2.851 17.502 -1.409 1.00 40.52 C ATOM 129 CD GLU A 12 2.187 16.594 -2.426 1.00 42.15 C ATOM 130 OE1 GLU A 12 1.910 15.424 -2.086 1.00 14.23 O ATOM 131 OE2 GLU A 12 1.943 17.053 -3.562 1.00 21.14 O ATOM 0 H GLU A 12 4.216 17.911 0.702 1.00 61.15 H new ATOM 0 HA GLU A 12 2.329 19.955 0.040 1.00 2.41 H new ATOM 0 HB2 GLU A 12 1.789 16.991 0.376 1.00 2.01 H new ATOM 0 HB3 GLU A 12 0.948 18.128 -0.659 1.00 2.01 H new ATOM 0 HG2 GLU A 12 3.184 18.414 -1.905 1.00 40.52 H new ATOM 0 HG3 GLU A 12 3.740 17.010 -1.014 1.00 40.52 H new ATOM 138 N LEU A 13 1.953 18.276 2.851 1.00 74.54 N ATOM 139 CA LEU A 13 1.251 18.268 4.129 1.00 12.53 C ATOM 140 C LEU A 13 1.178 19.672 4.720 1.00 52.51 C ATOM 141 O LEU A 13 0.112 20.127 5.134 1.00 23.03 O ATOM 142 CB LEU A 13 1.950 17.325 5.111 1.00 64.13 C ATOM 143 CG LEU A 13 1.198 17.031 6.409 1.00 30.14 C ATOM 144 CD1 LEU A 13 -0.100 16.294 6.119 1.00 22.33 C ATOM 145 CD2 LEU A 13 2.071 16.224 7.360 1.00 61.31 C ATOM 0 H LEU A 13 2.699 17.585 2.775 1.00 74.54 H new ATOM 0 HA LEU A 13 0.235 17.914 3.955 1.00 12.53 H new ATOM 0 HB2 LEU A 13 2.141 16.380 4.603 1.00 64.13 H new ATOM 0 HB3 LEU A 13 2.920 17.752 5.365 1.00 64.13 H new ATOM 0 HG LEU A 13 0.954 17.979 6.888 1.00 30.14 H new ATOM 0 HD11 LEU A 13 -0.621 16.093 7.055 1.00 22.33 H new ATOM 0 HD12 LEU A 13 -0.731 16.908 5.476 1.00 22.33 H new ATOM 0 HD13 LEU A 13 0.121 15.352 5.618 1.00 22.33 H new ATOM 0 HD21 LEU A 13 1.520 16.024 8.279 1.00 61.31 H new ATOM 0 HD22 LEU A 13 2.346 15.280 6.889 1.00 61.31 H new ATOM 0 HD23 LEU A 13 2.973 16.789 7.594 1.00 61.31 H new ATOM 157 N ASP A 14 2.317 20.354 4.753 1.00 30.34 N ATOM 158 CA ASP A 14 2.382 21.709 5.291 1.00 43.34 C ATOM 159 C ASP A 14 1.379 22.619 4.590 1.00 25.24 C ATOM 160 O ASP A 14 0.496 23.195 5.227 1.00 62.02 O ATOM 161 CB ASP A 14 3.795 22.273 5.138 1.00 33.11 C ATOM 162 CG ASP A 14 4.304 22.913 6.415 1.00 31.43 C ATOM 163 OD1 ASP A 14 4.047 24.119 6.617 1.00 13.54 O ATOM 164 OD2 ASP A 14 4.959 22.209 7.212 1.00 44.33 O ATOM 0 H ASP A 14 3.208 19.992 4.414 1.00 30.34 H new ATOM 0 HA ASP A 14 2.129 21.667 6.350 1.00 43.34 H new ATOM 0 HB2 ASP A 14 4.473 21.472 4.841 1.00 33.11 H new ATOM 0 HB3 ASP A 14 3.804 23.012 4.336 1.00 33.11 H new ATOM 169 N LYS A 15 1.520 22.747 3.275 1.00 21.33 N ATOM 170 CA LYS A 15 0.627 23.588 2.486 1.00 13.52 C ATOM 171 C LYS A 15 -0.832 23.227 2.748 1.00 12.24 C ATOM 172 O LYS A 15 -1.680 24.105 2.902 1.00 61.52 O ATOM 173 CB LYS A 15 0.940 23.441 0.996 1.00 60.31 C ATOM 174 CG LYS A 15 1.641 24.649 0.400 1.00 63.22 C ATOM 175 CD LYS A 15 3.066 24.321 -0.011 1.00 71.31 C ATOM 176 CE LYS A 15 3.909 25.579 -0.152 1.00 12.11 C ATOM 177 NZ LYS A 15 4.384 26.080 1.168 1.00 64.14 N ATOM 0 H LYS A 15 2.245 22.278 2.732 1.00 21.33 H new ATOM 0 HA LYS A 15 0.786 24.624 2.784 1.00 13.52 H new ATOM 0 HB2 LYS A 15 1.565 22.560 0.850 1.00 60.31 H new ATOM 0 HB3 LYS A 15 0.011 23.266 0.454 1.00 60.31 H new ATOM 0 HG2 LYS A 15 1.084 25.003 -0.467 1.00 63.22 H new ATOM 0 HG3 LYS A 15 1.649 25.461 1.127 1.00 63.22 H new ATOM 0 HD2 LYS A 15 3.517 23.661 0.730 1.00 71.31 H new ATOM 0 HD3 LYS A 15 3.057 23.780 -0.957 1.00 71.31 H new ATOM 0 HE2 LYS A 15 4.767 25.371 -0.792 1.00 12.11 H new ATOM 0 HE3 LYS A 15 3.324 26.355 -0.646 1.00 12.11 H new ATOM 0 HZ1 LYS A 15 4.955 26.938 1.029 1.00 64.14 H new ATOM 0 HZ2 LYS A 15 3.566 26.302 1.770 1.00 64.14 H new ATOM 0 HZ3 LYS A 15 4.964 25.350 1.628 1.00 64.14 H new ATOM 191 N TRP A 16 -1.115 21.931 2.800 1.00 42.30 N ATOM 192 CA TRP A 16 -2.473 21.455 3.045 1.00 13.35 C ATOM 193 C TRP A 16 -3.059 22.101 4.296 1.00 75.14 C ATOM 194 O TRP A 16 -4.181 22.604 4.277 1.00 43.15 O ATOM 195 CB TRP A 16 -2.482 19.932 3.191 1.00 24.41 C ATOM 196 CG TRP A 16 -3.813 19.384 3.608 1.00 3.41 C ATOM 197 CD1 TRP A 16 -4.146 18.883 4.835 1.00 62.41 C ATOM 198 CD2 TRP A 16 -4.989 19.279 2.797 1.00 12.54 C ATOM 199 NE1 TRP A 16 -5.457 18.474 4.835 1.00 42.05 N ATOM 200 CE2 TRP A 16 -5.997 18.707 3.598 1.00 53.22 C ATOM 201 CE3 TRP A 16 -5.288 19.614 1.474 1.00 24.25 C ATOM 202 CZ2 TRP A 16 -7.281 18.462 3.116 1.00 73.55 C ATOM 203 CZ3 TRP A 16 -6.562 19.372 0.997 1.00 2.55 C ATOM 204 CH2 TRP A 16 -7.546 18.801 1.816 1.00 13.53 C ATOM 0 H TRP A 16 -0.424 21.191 2.676 1.00 42.30 H new ATOM 0 HA TRP A 16 -3.090 21.736 2.191 1.00 13.35 H new ATOM 0 HB2 TRP A 16 -2.193 19.481 2.242 1.00 24.41 H new ATOM 0 HB3 TRP A 16 -1.731 19.640 3.925 1.00 24.41 H new ATOM 0 HD1 TRP A 16 -3.477 18.818 5.680 1.00 62.41 H new ATOM 0 HE1 TRP A 16 -5.949 18.063 5.628 1.00 42.05 H new ATOM 0 HE3 TRP A 16 -4.537 20.054 0.835 1.00 24.25 H new ATOM 0 HZ2 TRP A 16 -8.040 18.021 3.745 1.00 73.55 H new ATOM 0 HZ3 TRP A 16 -6.804 19.627 -0.024 1.00 2.55 H new ATOM 0 HH2 TRP A 16 -8.533 18.625 1.414 1.00 13.53 H new ATOM 215 N GLU A 17 -2.290 22.084 5.381 1.00 1.52 N ATOM 216 CA GLU A 17 -2.736 22.669 6.640 1.00 21.04 C ATOM 217 C GLU A 17 -2.941 24.175 6.499 1.00 41.32 C ATOM 218 O GLU A 17 -3.643 24.796 7.297 1.00 0.11 O ATOM 219 CB GLU A 17 -1.720 22.383 7.748 1.00 31.52 C ATOM 220 CG GLU A 17 -1.799 20.969 8.296 1.00 54.34 C ATOM 221 CD GLU A 17 -1.207 20.848 9.686 1.00 14.53 C ATOM 222 OE1 GLU A 17 -1.533 21.693 10.545 1.00 2.02 O ATOM 223 OE2 GLU A 17 -0.417 19.908 9.917 1.00 73.33 O ATOM 0 H GLU A 17 -1.357 21.672 5.413 1.00 1.52 H new ATOM 0 HA GLU A 17 -3.690 22.214 6.905 1.00 21.04 H new ATOM 0 HB2 GLU A 17 -0.716 22.559 7.362 1.00 31.52 H new ATOM 0 HB3 GLU A 17 -1.876 23.089 8.564 1.00 31.52 H new ATOM 0 HG2 GLU A 17 -2.841 20.650 8.320 1.00 54.34 H new ATOM 0 HG3 GLU A 17 -1.274 20.292 7.622 1.00 54.34 H new ATOM 230 N LYS A 18 -2.322 24.756 5.476 1.00 31.25 N ATOM 231 CA LYS A 18 -2.436 26.189 5.227 1.00 13.54 C ATOM 232 C LYS A 18 -3.836 26.547 4.741 1.00 73.11 C ATOM 233 O LYS A 18 -4.548 27.318 5.384 1.00 75.40 O ATOM 234 CB LYS A 18 -1.396 26.631 4.195 1.00 41.42 C ATOM 235 CG LYS A 18 -0.636 27.883 4.595 1.00 30.02 C ATOM 236 CD LYS A 18 -1.225 29.124 3.945 1.00 71.30 C ATOM 237 CE LYS A 18 -0.696 30.396 4.592 1.00 52.33 C ATOM 238 NZ LYS A 18 -1.156 31.616 3.873 1.00 62.22 N ATOM 0 H LYS A 18 -1.737 24.257 4.806 1.00 31.25 H new ATOM 0 HA LYS A 18 -2.253 26.712 6.165 1.00 13.54 H new ATOM 0 HB2 LYS A 18 -0.685 25.820 4.037 1.00 41.42 H new ATOM 0 HB3 LYS A 18 -1.895 26.808 3.242 1.00 41.42 H new ATOM 0 HG2 LYS A 18 -0.659 27.993 5.679 1.00 30.02 H new ATOM 0 HG3 LYS A 18 0.410 27.782 4.307 1.00 30.02 H new ATOM 0 HD2 LYS A 18 -0.985 29.128 2.882 1.00 71.30 H new ATOM 0 HD3 LYS A 18 -2.312 29.098 4.026 1.00 71.30 H new ATOM 0 HE2 LYS A 18 -1.026 30.440 5.630 1.00 52.33 H new ATOM 0 HE3 LYS A 18 0.394 30.371 4.605 1.00 52.33 H new ATOM 0 HZ1 LYS A 18 -0.775 32.461 4.344 1.00 62.22 H new ATOM 0 HZ2 LYS A 18 -0.820 31.587 2.889 1.00 62.22 H new ATOM 0 HZ3 LYS A 18 -2.195 31.654 3.883 1.00 62.22 H new ATOM 252 N ILE A 19 -4.224 25.981 3.603 1.00 21.32 N ATOM 253 CA ILE A 19 -5.541 26.240 3.033 1.00 72.14 C ATOM 254 C ILE A 19 -6.631 26.123 4.092 1.00 44.41 C ATOM 255 O ILE A 19 -6.549 25.287 4.993 1.00 62.24 O ATOM 256 CB ILE A 19 -5.855 25.269 1.879 1.00 62.50 C ATOM 257 CG1 ILE A 19 -4.738 25.306 0.834 1.00 41.10 C ATOM 258 CG2 ILE A 19 -7.193 25.617 1.244 1.00 30.13 C ATOM 259 CD1 ILE A 19 -4.149 23.946 0.531 1.00 3.10 C ATOM 0 H ILE A 19 -3.646 25.341 3.058 1.00 21.32 H new ATOM 0 HA ILE A 19 -5.523 27.259 2.645 1.00 72.14 H new ATOM 0 HB ILE A 19 -5.917 24.258 2.281 1.00 62.50 H new ATOM 0 HG12 ILE A 19 -5.128 25.738 -0.088 1.00 41.10 H new ATOM 0 HG13 ILE A 19 -3.945 25.967 1.185 1.00 41.10 H new ATOM 0 HG21 ILE A 19 -7.401 24.922 0.430 1.00 30.13 H new ATOM 0 HG22 ILE A 19 -7.981 25.545 1.993 1.00 30.13 H new ATOM 0 HG23 ILE A 19 -7.157 26.634 0.853 1.00 30.13 H new ATOM 0 HD11 ILE A 19 -3.363 24.048 -0.218 1.00 3.10 H new ATOM 0 HD12 ILE A 19 -3.729 23.520 1.442 1.00 3.10 H new ATOM 0 HD13 ILE A 19 -4.930 23.288 0.150 1.00 3.10 H new ATOM 271 N ARG A 20 -7.653 26.966 3.977 1.00 0.52 N ATOM 272 CA ARG A 20 -8.761 26.956 4.924 1.00 0.31 C ATOM 273 C ARG A 20 -10.054 26.518 4.244 1.00 65.23 C ATOM 274 O ARG A 20 -10.221 26.686 3.035 1.00 74.10 O ATOM 275 CB ARG A 20 -8.942 28.343 5.544 1.00 65.21 C ATOM 276 CG ARG A 20 -8.199 28.525 6.857 1.00 32.53 C ATOM 277 CD ARG A 20 -8.005 29.997 7.187 1.00 61.01 C ATOM 278 NE ARG A 20 -6.676 30.267 7.727 1.00 15.12 N ATOM 279 CZ ARG A 20 -6.256 31.476 8.081 1.00 24.52 C ATOM 280 NH1 ARG A 20 -7.060 32.524 7.953 1.00 45.45 N ATOM 281 NH2 ARG A 20 -5.032 31.641 8.565 1.00 73.23 N ATOM 0 H ARG A 20 -7.736 27.664 3.238 1.00 0.52 H new ATOM 0 HA ARG A 20 -8.526 26.241 5.712 1.00 0.31 H new ATOM 0 HB2 ARG A 20 -8.599 29.096 4.835 1.00 65.21 H new ATOM 0 HB3 ARG A 20 -10.004 28.522 5.710 1.00 65.21 H new ATOM 0 HG2 ARG A 20 -8.754 28.041 7.661 1.00 32.53 H new ATOM 0 HG3 ARG A 20 -7.228 28.033 6.798 1.00 32.53 H new ATOM 0 HD2 ARG A 20 -8.159 30.593 6.288 1.00 61.01 H new ATOM 0 HD3 ARG A 20 -8.760 30.309 7.909 1.00 61.01 H new ATOM 0 HE ARG A 20 -6.034 29.483 7.839 1.00 15.12 H new ATOM 0 HH11 ARG A 20 -8.002 32.402 7.582 1.00 45.45 H new ATOM 0 HH12 ARG A 20 -6.736 33.452 8.225 1.00 45.45 H new ATOM 0 HH21 ARG A 20 -4.411 30.838 8.666 1.00 73.23 H new ATOM 0 HH22 ARG A 20 -4.712 32.571 8.836 1.00 73.23 H new ATOM 295 N LEU A 21 -10.968 25.956 5.028 1.00 44.31 N ATOM 296 CA LEU A 21 -12.248 25.493 4.502 1.00 72.45 C ATOM 297 C LEU A 21 -13.026 26.644 3.873 1.00 61.31 C ATOM 298 O LEU A 21 -13.674 26.477 2.839 1.00 11.15 O ATOM 299 CB LEU A 21 -13.076 24.849 5.614 1.00 62.34 C ATOM 300 CG LEU A 21 -12.472 23.606 6.268 1.00 41.21 C ATOM 301 CD1 LEU A 21 -13.301 23.179 7.469 1.00 54.31 C ATOM 302 CD2 LEU A 21 -12.366 22.472 5.260 1.00 51.23 C ATOM 0 H LEU A 21 -10.847 25.810 6.030 1.00 44.31 H new ATOM 0 HA LEU A 21 -12.048 24.750 3.730 1.00 72.45 H new ATOM 0 HB2 LEU A 21 -13.248 25.595 6.389 1.00 62.34 H new ATOM 0 HB3 LEU A 21 -14.051 24.583 5.206 1.00 62.34 H new ATOM 0 HG LEU A 21 -11.468 23.852 6.615 1.00 41.21 H new ATOM 0 HD11 LEU A 21 -12.856 22.293 7.922 1.00 54.31 H new ATOM 0 HD12 LEU A 21 -13.325 23.987 8.200 1.00 54.31 H new ATOM 0 HD13 LEU A 21 -14.317 22.951 7.147 1.00 54.31 H new ATOM 0 HD21 LEU A 21 -11.934 21.595 5.743 1.00 51.23 H new ATOM 0 HD22 LEU A 21 -13.359 22.226 4.883 1.00 51.23 H new ATOM 0 HD23 LEU A 21 -11.729 22.780 4.431 1.00 51.23 H new ATOM 314 N ARG A 22 -12.956 27.813 4.503 1.00 44.22 N ATOM 315 CA ARG A 22 -13.654 28.992 4.004 1.00 1.43 C ATOM 316 C ARG A 22 -12.681 30.146 3.781 1.00 11.23 C ATOM 317 O ARG A 22 -11.596 30.196 4.362 1.00 51.02 O ATOM 318 CB ARG A 22 -14.748 29.416 4.986 1.00 22.01 C ATOM 319 CG ARG A 22 -16.087 28.741 4.733 1.00 31.34 C ATOM 320 CD ARG A 22 -16.902 28.625 6.012 1.00 1.14 C ATOM 321 NE ARG A 22 -18.313 28.362 5.740 1.00 34.35 N ATOM 322 CZ ARG A 22 -19.165 29.289 5.317 1.00 20.03 C ATOM 323 NH1 ARG A 22 -18.752 30.533 5.119 1.00 74.41 N ATOM 324 NH2 ARG A 22 -20.434 28.972 5.092 1.00 10.32 N ATOM 0 H ARG A 22 -12.423 27.968 5.359 1.00 44.22 H new ATOM 0 HA ARG A 22 -14.112 28.736 3.049 1.00 1.43 H new ATOM 0 HB2 ARG A 22 -14.422 29.189 6.001 1.00 22.01 H new ATOM 0 HB3 ARG A 22 -14.878 30.497 4.928 1.00 22.01 H new ATOM 0 HG2 ARG A 22 -16.649 29.310 3.993 1.00 31.34 H new ATOM 0 HG3 ARG A 22 -15.922 27.748 4.314 1.00 31.34 H new ATOM 0 HD2 ARG A 22 -16.496 27.823 6.629 1.00 1.14 H new ATOM 0 HD3 ARG A 22 -16.809 29.547 6.586 1.00 1.14 H new ATOM 0 HE ARG A 22 -18.663 27.415 5.883 1.00 34.35 H new ATOM 0 HH11 ARG A 22 -17.778 30.780 5.292 1.00 74.41 H new ATOM 0 HH12 ARG A 22 -19.409 31.243 4.794 1.00 74.41 H new ATOM 0 HH21 ARG A 22 -20.756 28.016 5.244 1.00 10.32 H new ATOM 0 HH22 ARG A 22 -21.088 29.684 4.767 1.00 10.32 H new ATOM 338 N PRO A 23 -13.076 31.096 2.920 1.00 12.44 N ATOM 339 CA PRO A 23 -12.253 32.266 2.602 1.00 41.44 C ATOM 340 C PRO A 23 -12.145 33.235 3.773 1.00 25.02 C ATOM 341 O PRO A 23 -11.094 33.832 4.004 1.00 42.02 O ATOM 342 CB PRO A 23 -13.001 32.917 1.435 1.00 33.52 C ATOM 343 CG PRO A 23 -14.415 32.481 1.601 1.00 43.34 C ATOM 344 CD PRO A 23 -14.356 31.100 2.193 1.00 11.01 C ATOM 0 HA PRO A 23 -11.225 31.990 2.367 1.00 41.44 H new ATOM 0 HB2 PRO A 23 -12.915 34.003 1.467 1.00 33.52 H new ATOM 0 HB3 PRO A 23 -12.597 32.593 0.476 1.00 33.52 H new ATOM 0 HG2 PRO A 23 -14.959 33.163 2.254 1.00 43.34 H new ATOM 0 HG3 PRO A 23 -14.936 32.473 0.644 1.00 43.34 H new ATOM 0 HD2 PRO A 23 -15.198 30.912 2.860 1.00 11.01 H new ATOM 0 HD3 PRO A 23 -14.383 30.330 1.422 1.00 11.01 H new ATOM 352 N GLY A 24 -13.240 33.388 4.512 1.00 10.32 N ATOM 353 CA GLY A 24 -13.247 34.286 5.652 1.00 35.23 C ATOM 354 C GLY A 24 -13.390 33.551 6.970 1.00 52.54 C ATOM 355 O GLY A 24 -13.995 34.062 7.911 1.00 34.24 O ATOM 0 H GLY A 24 -14.122 32.906 4.341 1.00 10.32 H new ATOM 0 HA2 GLY A 24 -12.323 34.864 5.661 1.00 35.23 H new ATOM 0 HA3 GLY A 24 -14.067 34.997 5.545 1.00 35.23 H new ATOM 359 N GLY A 25 -12.834 32.345 7.036 1.00 3.40 N ATOM 360 CA GLY A 25 -12.916 31.556 8.251 1.00 21.04 C ATOM 361 C GLY A 25 -11.570 31.393 8.929 1.00 51.23 C ATOM 362 O GLY A 25 -10.569 31.953 8.481 1.00 75.41 O ATOM 0 H GLY A 25 -12.328 31.901 6.270 1.00 3.40 H new ATOM 0 HA2 GLY A 25 -13.612 32.031 8.942 1.00 21.04 H new ATOM 0 HA3 GLY A 25 -13.322 30.572 8.015 1.00 21.04 H new ATOM 366 N LYS A 26 -11.544 30.624 10.012 1.00 32.34 N ATOM 367 CA LYS A 26 -10.311 30.389 10.755 1.00 53.42 C ATOM 368 C LYS A 26 -10.005 28.897 10.843 1.00 65.02 C ATOM 369 O LYS A 26 -8.972 28.494 11.376 1.00 71.35 O ATOM 370 CB LYS A 26 -10.416 30.983 12.161 1.00 24.42 C ATOM 371 CG LYS A 26 -9.069 31.248 12.811 1.00 25.13 C ATOM 372 CD LYS A 26 -9.202 31.424 14.315 1.00 32.01 C ATOM 373 CE LYS A 26 -8.903 32.855 14.737 1.00 50.25 C ATOM 374 NZ LYS A 26 -7.449 33.073 14.968 1.00 73.45 N ATOM 0 H LYS A 26 -12.363 30.152 10.395 1.00 32.34 H new ATOM 0 HA LYS A 26 -9.496 30.878 10.221 1.00 53.42 H new ATOM 0 HB2 LYS A 26 -10.976 31.917 12.111 1.00 24.42 H new ATOM 0 HB3 LYS A 26 -10.987 30.302 12.792 1.00 24.42 H new ATOM 0 HG2 LYS A 26 -8.392 30.420 12.599 1.00 25.13 H new ATOM 0 HG3 LYS A 26 -8.624 32.143 12.377 1.00 25.13 H new ATOM 0 HD2 LYS A 26 -10.211 31.155 14.626 1.00 32.01 H new ATOM 0 HD3 LYS A 26 -8.520 30.743 14.824 1.00 32.01 H new ATOM 0 HE2 LYS A 26 -9.255 33.542 13.967 1.00 50.25 H new ATOM 0 HE3 LYS A 26 -9.454 33.088 15.648 1.00 50.25 H new ATOM 0 HZ1 LYS A 26 -7.287 34.060 15.254 1.00 73.45 H new ATOM 0 HZ2 LYS A 26 -7.118 32.436 15.720 1.00 73.45 H new ATOM 0 HZ3 LYS A 26 -6.925 32.876 14.092 1.00 73.45 H new ATOM 388 N LYS A 27 -10.912 28.081 10.316 1.00 50.40 N ATOM 389 CA LYS A 27 -10.739 26.632 10.332 1.00 23.33 C ATOM 390 C LYS A 27 -9.888 26.172 9.154 1.00 64.34 C ATOM 391 O LYS A 27 -10.358 26.130 8.017 1.00 33.42 O ATOM 392 CB LYS A 27 -12.101 25.936 10.294 1.00 13.32 C ATOM 393 CG LYS A 27 -12.090 24.545 10.906 1.00 22.44 C ATOM 394 CD LYS A 27 -13.482 23.935 10.928 1.00 15.30 C ATOM 395 CE LYS A 27 -13.424 22.422 11.074 1.00 12.53 C ATOM 396 NZ LYS A 27 -14.656 21.878 11.709 1.00 30.54 N ATOM 0 H LYS A 27 -11.774 28.398 9.873 1.00 50.40 H new ATOM 0 HA LYS A 27 -10.225 26.362 11.255 1.00 23.33 H new ATOM 0 HB2 LYS A 27 -12.829 26.551 10.823 1.00 13.32 H new ATOM 0 HB3 LYS A 27 -12.435 25.866 9.259 1.00 13.32 H new ATOM 0 HG2 LYS A 27 -11.419 23.902 10.337 1.00 22.44 H new ATOM 0 HG3 LYS A 27 -11.698 24.596 11.922 1.00 22.44 H new ATOM 0 HD2 LYS A 27 -14.054 24.360 11.753 1.00 15.30 H new ATOM 0 HD3 LYS A 27 -14.008 24.193 10.009 1.00 15.30 H new ATOM 0 HE2 LYS A 27 -13.290 21.967 10.092 1.00 12.53 H new ATOM 0 HE3 LYS A 27 -12.556 22.148 11.673 1.00 12.53 H new ATOM 0 HZ1 LYS A 27 -14.832 20.915 11.357 1.00 30.54 H new ATOM 0 HZ2 LYS A 27 -14.532 21.852 12.741 1.00 30.54 H new ATOM 0 HZ3 LYS A 27 -15.466 22.486 11.473 1.00 30.54 H new ATOM 410 N GLN A 28 -8.635 25.828 9.433 1.00 53.34 N ATOM 411 CA GLN A 28 -7.719 25.371 8.394 1.00 44.54 C ATOM 412 C GLN A 28 -7.997 23.917 8.025 1.00 32.05 C ATOM 413 O GLN A 28 -8.860 23.269 8.619 1.00 64.44 O ATOM 414 CB GLN A 28 -6.271 25.524 8.858 1.00 12.21 C ATOM 415 CG GLN A 28 -6.026 26.776 9.686 1.00 53.34 C ATOM 416 CD GLN A 28 -5.959 26.488 11.173 1.00 65.12 C ATOM 417 OE1 GLN A 28 -6.618 25.574 11.670 1.00 33.40 O ATOM 418 NE2 GLN A 28 -5.161 27.269 11.892 1.00 64.42 N ATOM 0 H GLN A 28 -8.231 25.857 10.369 1.00 53.34 H new ATOM 0 HA GLN A 28 -7.876 25.988 7.509 1.00 44.54 H new ATOM 0 HB2 GLN A 28 -5.992 24.649 9.446 1.00 12.21 H new ATOM 0 HB3 GLN A 28 -5.619 25.542 7.985 1.00 12.21 H new ATOM 0 HG2 GLN A 28 -5.093 27.241 9.367 1.00 53.34 H new ATOM 0 HG3 GLN A 28 -6.822 27.495 9.495 1.00 53.34 H new ATOM 0 HE21 GLN A 28 -4.633 28.015 11.438 1.00 64.42 H new ATOM 0 HE22 GLN A 28 -5.076 27.123 12.898 1.00 64.42 H new ATOM 427 N TYR A 29 -7.261 23.409 7.044 1.00 75.15 N ATOM 428 CA TYR A 29 -7.429 22.032 6.595 1.00 61.22 C ATOM 429 C TYR A 29 -6.580 21.079 7.431 1.00 63.25 C ATOM 430 O TYR A 29 -5.477 21.421 7.856 1.00 2.12 O ATOM 431 CB TYR A 29 -7.052 21.906 5.117 1.00 5.14 C ATOM 432 CG TYR A 29 -8.240 21.959 4.183 1.00 54.12 C ATOM 433 CD1 TYR A 29 -9.111 20.882 4.074 1.00 74.11 C ATOM 434 CD2 TYR A 29 -8.490 23.085 3.409 1.00 72.00 C ATOM 435 CE1 TYR A 29 -10.197 20.925 3.221 1.00 32.33 C ATOM 436 CE2 TYR A 29 -9.574 23.138 2.554 1.00 2.44 C ATOM 437 CZ TYR A 29 -10.425 22.056 2.464 1.00 13.33 C ATOM 438 OH TYR A 29 -11.505 22.103 1.613 1.00 63.41 O ATOM 0 H TYR A 29 -6.541 23.930 6.544 1.00 75.15 H new ATOM 0 HA TYR A 29 -8.477 21.761 6.720 1.00 61.22 H new ATOM 0 HB2 TYR A 29 -6.360 22.707 4.857 1.00 5.14 H new ATOM 0 HB3 TYR A 29 -6.522 20.966 4.965 1.00 5.14 H new ATOM 0 HD1 TYR A 29 -8.936 19.996 4.666 1.00 74.11 H new ATOM 0 HD2 TYR A 29 -7.826 23.934 3.477 1.00 72.00 H new ATOM 0 HE1 TYR A 29 -10.864 20.078 3.147 1.00 32.33 H new ATOM 0 HE2 TYR A 29 -9.754 24.021 1.960 1.00 2.44 H new ATOM 0 HH TYR A 29 -11.783 23.034 1.489 1.00 63.41 H new ATOM 448 N LYS A 30 -7.105 19.880 7.662 1.00 33.34 N ATOM 449 CA LYS A 30 -6.397 18.874 8.445 1.00 1.11 C ATOM 450 C LYS A 30 -6.596 17.483 7.850 1.00 12.21 C ATOM 451 O LYS A 30 -7.420 17.292 6.955 1.00 32.12 O ATOM 452 CB LYS A 30 -6.882 18.894 9.896 1.00 42.30 C ATOM 453 CG LYS A 30 -5.776 19.155 10.904 1.00 51.43 C ATOM 454 CD LYS A 30 -6.235 18.863 12.324 1.00 54.25 C ATOM 455 CE LYS A 30 -6.964 20.052 12.928 1.00 63.02 C ATOM 456 NZ LYS A 30 -7.639 19.697 14.208 1.00 54.42 N ATOM 0 H LYS A 30 -8.018 19.582 7.318 1.00 33.34 H new ATOM 0 HA LYS A 30 -5.334 19.112 8.421 1.00 1.11 H new ATOM 0 HB2 LYS A 30 -7.648 19.662 10.003 1.00 42.30 H new ATOM 0 HB3 LYS A 30 -7.353 17.938 10.126 1.00 42.30 H new ATOM 0 HG2 LYS A 30 -4.911 18.536 10.665 1.00 51.43 H new ATOM 0 HG3 LYS A 30 -5.454 20.194 10.831 1.00 51.43 H new ATOM 0 HD2 LYS A 30 -6.892 17.993 12.324 1.00 54.25 H new ATOM 0 HD3 LYS A 30 -5.373 18.611 12.942 1.00 54.25 H new ATOM 0 HE2 LYS A 30 -6.256 20.862 13.103 1.00 63.02 H new ATOM 0 HE3 LYS A 30 -7.703 20.424 12.218 1.00 63.02 H new ATOM 0 HZ1 LYS A 30 -8.125 20.534 14.588 1.00 54.42 H new ATOM 0 HZ2 LYS A 30 -8.333 18.942 14.037 1.00 54.42 H new ATOM 0 HZ3 LYS A 30 -6.931 19.367 14.894 1.00 54.42 H new ATOM 470 N LEU A 31 -5.837 16.516 8.354 1.00 1.13 N ATOM 471 CA LEU A 31 -5.931 15.141 7.873 1.00 23.40 C ATOM 472 C LEU A 31 -7.379 14.660 7.880 1.00 73.13 C ATOM 473 O LEU A 31 -7.798 13.907 7.000 1.00 22.14 O ATOM 474 CB LEU A 31 -5.071 14.218 8.738 1.00 72.32 C ATOM 475 CG LEU A 31 -3.560 14.320 8.530 1.00 52.54 C ATOM 476 CD1 LEU A 31 -2.835 14.310 9.867 1.00 25.01 C ATOM 477 CD2 LEU A 31 -3.065 13.185 7.646 1.00 44.32 C ATOM 0 H LEU A 31 -5.150 16.658 9.095 1.00 1.13 H new ATOM 0 HA LEU A 31 -5.563 15.114 6.847 1.00 23.40 H new ATOM 0 HB2 LEU A 31 -5.288 14.428 9.785 1.00 72.32 H new ATOM 0 HB3 LEU A 31 -5.375 13.188 8.549 1.00 72.32 H new ATOM 0 HG LEU A 31 -3.345 15.264 8.030 1.00 52.54 H new ATOM 0 HD11 LEU A 31 -1.761 14.383 9.699 1.00 25.01 H new ATOM 0 HD12 LEU A 31 -3.167 15.157 10.467 1.00 25.01 H new ATOM 0 HD13 LEU A 31 -3.057 13.382 10.394 1.00 25.01 H new ATOM 0 HD21 LEU A 31 -1.987 13.274 7.509 1.00 44.32 H new ATOM 0 HD22 LEU A 31 -3.293 12.230 8.119 1.00 44.32 H new ATOM 0 HD23 LEU A 31 -3.560 13.237 6.676 1.00 44.32 H new ATOM 489 N LYS A 32 -8.139 15.101 8.876 1.00 61.31 N ATOM 490 CA LYS A 32 -9.541 14.719 8.997 1.00 53.15 C ATOM 491 C LYS A 32 -10.270 14.899 7.668 1.00 22.13 C ATOM 492 O LYS A 32 -10.930 13.980 7.182 1.00 21.22 O ATOM 493 CB LYS A 32 -10.226 15.551 10.083 1.00 23.21 C ATOM 494 CG LYS A 32 -11.027 14.720 11.071 1.00 33.53 C ATOM 495 CD LYS A 32 -10.160 14.234 12.221 1.00 10.30 C ATOM 496 CE LYS A 32 -10.608 14.830 13.547 1.00 11.43 C ATOM 497 NZ LYS A 32 -10.016 16.176 13.779 1.00 41.33 N ATOM 0 H LYS A 32 -7.807 15.724 9.612 1.00 61.31 H new ATOM 0 HA LYS A 32 -9.582 13.666 9.275 1.00 53.15 H new ATOM 0 HB2 LYS A 32 -9.470 16.117 10.626 1.00 23.21 H new ATOM 0 HB3 LYS A 32 -10.888 16.276 9.610 1.00 23.21 H new ATOM 0 HG2 LYS A 32 -11.853 15.314 11.462 1.00 33.53 H new ATOM 0 HG3 LYS A 32 -11.465 13.864 10.557 1.00 33.53 H new ATOM 0 HD2 LYS A 32 -10.204 13.146 12.277 1.00 10.30 H new ATOM 0 HD3 LYS A 32 -9.120 14.502 12.033 1.00 10.30 H new ATOM 0 HE2 LYS A 32 -11.695 14.904 13.563 1.00 11.43 H new ATOM 0 HE3 LYS A 32 -10.322 14.163 14.360 1.00 11.43 H new ATOM 0 HZ1 LYS A 32 -10.346 16.548 14.693 1.00 41.33 H new ATOM 0 HZ2 LYS A 32 -8.979 16.102 13.789 1.00 41.33 H new ATOM 0 HZ3 LYS A 32 -10.309 16.820 13.017 1.00 41.33 H new ATOM 511 N HIS A 33 -10.145 16.088 7.087 1.00 52.44 N ATOM 512 CA HIS A 33 -10.790 16.387 5.812 1.00 2.23 C ATOM 513 C HIS A 33 -10.307 15.435 4.722 1.00 51.21 C ATOM 514 O HIS A 33 -11.112 15.128 3.842 1.00 35.34 O ATOM 515 CB HIS A 33 -10.511 17.833 5.403 1.00 70.32 C ATOM 516 CG HIS A 33 -10.809 18.829 6.481 1.00 20.32 C ATOM 517 ND1 HIS A 33 -9.889 19.755 6.925 1.00 23.43 N ATOM 518 CD2 HIS A 33 -11.933 19.042 7.204 1.00 2.54 C ATOM 519 CE1 HIS A 33 -10.434 20.494 7.876 1.00 40.25 C ATOM 520 NE2 HIS A 33 -11.675 20.081 8.063 1.00 10.45 N ATOM 0 H HIS A 33 -9.604 16.859 7.478 1.00 52.44 H new ATOM 0 HA HIS A 33 -11.865 16.253 5.936 1.00 2.23 H new ATOM 0 HB2 HIS A 33 -9.464 17.925 5.115 1.00 70.32 H new ATOM 0 HB3 HIS A 33 -11.106 18.074 4.522 1.00 70.32 H new ATOM 0 HD2 HIS A 33 -12.861 18.496 7.121 1.00 2.54 H new ATOM 0 HE1 HIS A 33 -9.948 21.298 8.409 1.00 40.25 H new ATOM 0 HE2 HIS A 33 -12.334 20.471 8.736 1.00 10.45 H new ATOM 528 N ILE A 34 -9.060 14.976 4.755 1.00 3.11 N ATOM 529 CA ILE A 34 -8.554 14.064 3.737 1.00 24.12 C ATOM 530 C ILE A 34 -9.121 12.661 3.925 1.00 21.42 C ATOM 531 O ILE A 34 -9.928 12.193 3.121 1.00 50.10 O ATOM 532 CB ILE A 34 -7.016 13.992 3.759 1.00 25.13 C ATOM 533 CG1 ILE A 34 -6.416 15.398 3.696 1.00 24.32 C ATOM 534 CG2 ILE A 34 -6.510 13.142 2.605 1.00 53.24 C ATOM 535 CD1 ILE A 34 -4.912 15.420 3.850 1.00 71.05 C ATOM 0 H ILE A 34 -8.382 15.221 5.476 1.00 3.11 H new ATOM 0 HA ILE A 34 -8.877 14.457 2.773 1.00 24.12 H new ATOM 0 HB ILE A 34 -6.702 13.526 4.693 1.00 25.13 H new ATOM 0 HG12 ILE A 34 -6.682 15.856 2.743 1.00 24.32 H new ATOM 0 HG13 ILE A 34 -6.862 16.010 4.480 1.00 24.32 H new ATOM 0 HG21 ILE A 34 -5.421 13.100 2.634 1.00 53.24 H new ATOM 0 HG22 ILE A 34 -6.914 12.133 2.692 1.00 53.24 H new ATOM 0 HG23 ILE A 34 -6.831 13.582 1.661 1.00 53.24 H new ATOM 0 HD11 ILE A 34 -4.556 16.449 3.795 1.00 71.05 H new ATOM 0 HD12 ILE A 34 -4.639 14.992 4.815 1.00 71.05 H new ATOM 0 HD13 ILE A 34 -4.456 14.835 3.051 1.00 71.05 H new ATOM 547 N VAL A 35 -8.695 11.995 4.993 1.00 4.14 N ATOM 548 CA VAL A 35 -9.163 10.646 5.290 1.00 42.12 C ATOM 549 C VAL A 35 -10.679 10.550 5.163 1.00 50.44 C ATOM 550 O VAL A 35 -11.212 9.522 4.744 1.00 42.14 O ATOM 551 CB VAL A 35 -8.749 10.208 6.708 1.00 41.42 C ATOM 552 CG1 VAL A 35 -9.301 8.825 7.022 1.00 64.34 C ATOM 553 CG2 VAL A 35 -7.235 10.232 6.852 1.00 51.25 C ATOM 0 H VAL A 35 -8.026 12.367 5.667 1.00 4.14 H new ATOM 0 HA VAL A 35 -8.697 9.982 4.562 1.00 42.12 H new ATOM 0 HB VAL A 35 -9.170 10.913 7.425 1.00 41.42 H new ATOM 0 HG11 VAL A 35 -8.999 8.532 8.027 1.00 64.34 H new ATOM 0 HG12 VAL A 35 -10.389 8.845 6.962 1.00 64.34 H new ATOM 0 HG13 VAL A 35 -8.911 8.106 6.302 1.00 64.34 H new ATOM 0 HG21 VAL A 35 -6.960 9.920 7.860 1.00 51.25 H new ATOM 0 HG22 VAL A 35 -6.790 9.551 6.127 1.00 51.25 H new ATOM 0 HG23 VAL A 35 -6.868 11.243 6.673 1.00 51.25 H new ATOM 563 N TRP A 36 -11.368 11.625 5.525 1.00 73.24 N ATOM 564 CA TRP A 36 -12.824 11.662 5.451 1.00 52.55 C ATOM 565 C TRP A 36 -13.304 11.346 4.038 1.00 72.13 C ATOM 566 O TRP A 36 -14.082 10.416 3.831 1.00 41.32 O ATOM 567 CB TRP A 36 -13.343 13.033 5.885 1.00 52.24 C ATOM 568 CG TRP A 36 -14.820 13.196 5.695 1.00 4.41 C ATOM 569 CD1 TRP A 36 -15.801 12.886 6.594 1.00 31.42 C ATOM 570 CD2 TRP A 36 -15.485 13.705 4.533 1.00 34.35 C ATOM 571 NE1 TRP A 36 -17.035 13.173 6.062 1.00 53.33 N ATOM 572 CE2 TRP A 36 -16.868 13.677 4.799 1.00 60.25 C ATOM 573 CE3 TRP A 36 -15.047 14.184 3.296 1.00 15.50 C ATOM 574 CZ2 TRP A 36 -17.812 14.108 3.872 1.00 65.14 C ATOM 575 CZ3 TRP A 36 -15.984 14.611 2.377 1.00 64.11 C ATOM 576 CH2 TRP A 36 -17.354 14.572 2.668 1.00 43.32 C ATOM 0 H TRP A 36 -10.942 12.484 5.873 1.00 73.24 H new ATOM 0 HA TRP A 36 -13.217 10.903 6.127 1.00 52.55 H new ATOM 0 HB2 TRP A 36 -13.100 13.190 6.936 1.00 52.24 H new ATOM 0 HB3 TRP A 36 -12.824 13.806 5.319 1.00 52.24 H new ATOM 0 HD1 TRP A 36 -15.631 12.476 7.578 1.00 31.42 H new ATOM 0 HE1 TRP A 36 -17.930 13.033 6.531 1.00 53.33 H new ATOM 0 HE3 TRP A 36 -13.993 14.220 3.063 1.00 15.50 H new ATOM 0 HZ2 TRP A 36 -18.868 14.078 4.094 1.00 65.14 H new ATOM 0 HZ3 TRP A 36 -15.656 14.982 1.417 1.00 64.11 H new ATOM 0 HH2 TRP A 36 -18.062 14.915 1.928 1.00 43.32 H new ATOM 587 N ALA A 37 -12.836 12.128 3.070 1.00 4.00 N ATOM 588 CA ALA A 37 -13.217 11.930 1.678 1.00 44.15 C ATOM 589 C ALA A 37 -12.728 10.581 1.161 1.00 62.31 C ATOM 590 O ALA A 37 -13.430 9.899 0.414 1.00 32.50 O ATOM 591 CB ALA A 37 -12.671 13.058 0.815 1.00 53.11 C ATOM 0 H ALA A 37 -12.193 12.904 3.225 1.00 4.00 H new ATOM 0 HA ALA A 37 -14.305 11.938 1.621 1.00 44.15 H new ATOM 0 HB1 ALA A 37 -12.964 12.897 -0.223 1.00 53.11 H new ATOM 0 HB2 ALA A 37 -13.074 14.009 1.162 1.00 53.11 H new ATOM 0 HB3 ALA A 37 -11.584 13.077 0.887 1.00 53.11 H new ATOM 597 N SER A 38 -11.519 10.203 1.562 1.00 52.25 N ATOM 598 CA SER A 38 -10.933 8.936 1.136 1.00 60.55 C ATOM 599 C SER A 38 -11.814 7.763 1.551 1.00 25.43 C ATOM 600 O SER A 38 -11.757 6.688 0.954 1.00 43.43 O ATOM 601 CB SER A 38 -9.532 8.773 1.729 1.00 10.33 C ATOM 602 OG SER A 38 -9.597 8.350 3.080 1.00 42.41 O ATOM 0 H SER A 38 -10.926 10.755 2.181 1.00 52.25 H new ATOM 0 HA SER A 38 -10.860 8.945 0.048 1.00 60.55 H new ATOM 0 HB2 SER A 38 -8.968 8.047 1.144 1.00 10.33 H new ATOM 0 HB3 SER A 38 -8.995 9.719 1.666 1.00 10.33 H new ATOM 0 HG SER A 38 -10.348 8.795 3.526 1.00 42.41 H new ATOM 608 N ARG A 39 -12.630 7.978 2.579 1.00 55.12 N ATOM 609 CA ARG A 39 -13.522 6.939 3.076 1.00 44.43 C ATOM 610 C ARG A 39 -14.830 6.924 2.290 1.00 4.14 C ATOM 611 O ARG A 39 -15.547 5.923 2.279 1.00 21.52 O ATOM 612 CB ARG A 39 -13.810 7.152 4.563 1.00 70.23 C ATOM 613 CG ARG A 39 -13.786 5.870 5.378 1.00 13.33 C ATOM 614 CD ARG A 39 -13.985 6.148 6.860 1.00 30.34 C ATOM 615 NE ARG A 39 -15.362 5.907 7.282 1.00 60.51 N ATOM 616 CZ ARG A 39 -15.884 6.395 8.402 1.00 64.53 C ATOM 617 NH1 ARG A 39 -15.148 7.148 9.206 1.00 23.53 N ATOM 618 NH2 ARG A 39 -17.146 6.132 8.717 1.00 12.14 N ATOM 0 H ARG A 39 -12.691 8.863 3.083 1.00 55.12 H new ATOM 0 HA ARG A 39 -13.027 5.977 2.944 1.00 44.43 H new ATOM 0 HB2 ARG A 39 -13.075 7.846 4.971 1.00 70.23 H new ATOM 0 HB3 ARG A 39 -14.787 7.623 4.671 1.00 70.23 H new ATOM 0 HG2 ARG A 39 -14.568 5.198 5.025 1.00 13.33 H new ATOM 0 HG3 ARG A 39 -12.835 5.359 5.227 1.00 13.33 H new ATOM 0 HD2 ARG A 39 -13.312 5.517 7.441 1.00 30.34 H new ATOM 0 HD3 ARG A 39 -13.716 7.182 7.074 1.00 30.34 H new ATOM 0 HE ARG A 39 -15.956 5.332 6.684 1.00 60.51 H new ATOM 0 HH11 ARG A 39 -14.178 7.354 8.966 1.00 23.53 H new ATOM 0 HH12 ARG A 39 -15.551 7.522 10.065 1.00 23.53 H new ATOM 0 HH21 ARG A 39 -17.716 5.555 8.099 1.00 12.14 H new ATOM 0 HH22 ARG A 39 -17.546 6.507 9.577 1.00 12.14 H new ATOM 632 N GLU A 40 -15.135 8.041 1.636 1.00 34.03 N ATOM 633 CA GLU A 40 -16.357 8.156 0.850 1.00 21.24 C ATOM 634 C GLU A 40 -16.171 7.549 -0.538 1.00 74.22 C ATOM 635 O GLU A 40 -17.062 6.879 -1.060 1.00 25.43 O ATOM 636 CB GLU A 40 -16.773 9.623 0.725 1.00 70.42 C ATOM 637 CG GLU A 40 -18.251 9.813 0.431 1.00 21.35 C ATOM 638 CD GLU A 40 -19.029 10.292 1.642 1.00 63.34 C ATOM 639 OE1 GLU A 40 -18.819 11.450 2.062 1.00 12.12 O ATOM 640 OE2 GLU A 40 -19.848 9.511 2.169 1.00 4.31 O ATOM 0 H GLU A 40 -14.553 8.878 1.635 1.00 34.03 H new ATOM 0 HA GLU A 40 -17.143 7.605 1.366 1.00 21.24 H new ATOM 0 HB2 GLU A 40 -16.526 10.142 1.651 1.00 70.42 H new ATOM 0 HB3 GLU A 40 -16.190 10.091 -0.068 1.00 70.42 H new ATOM 0 HG2 GLU A 40 -18.367 10.533 -0.379 1.00 21.35 H new ATOM 0 HG3 GLU A 40 -18.673 8.870 0.082 1.00 21.35 H new ATOM 647 N LEU A 41 -15.005 7.788 -1.130 1.00 65.10 N ATOM 648 CA LEU A 41 -14.700 7.267 -2.458 1.00 2.53 C ATOM 649 C LEU A 41 -14.701 5.741 -2.456 1.00 40.44 C ATOM 650 O LEU A 41 -15.197 5.111 -3.390 1.00 55.01 O ATOM 651 CB LEU A 41 -13.343 7.787 -2.932 1.00 55.42 C ATOM 652 CG LEU A 41 -13.198 9.307 -3.015 1.00 41.43 C ATOM 653 CD1 LEU A 41 -11.736 9.710 -2.905 1.00 72.33 C ATOM 654 CD2 LEU A 41 -13.802 9.830 -4.310 1.00 25.00 C ATOM 0 H LEU A 41 -14.256 8.339 -0.711 1.00 65.10 H new ATOM 0 HA LEU A 41 -15.473 7.612 -3.144 1.00 2.53 H new ATOM 0 HB2 LEU A 41 -12.575 7.405 -2.259 1.00 55.42 H new ATOM 0 HB3 LEU A 41 -13.140 7.368 -3.918 1.00 55.42 H new ATOM 0 HG LEU A 41 -13.740 9.751 -2.180 1.00 41.43 H new ATOM 0 HD11 LEU A 41 -11.652 10.795 -2.966 1.00 72.33 H new ATOM 0 HD12 LEU A 41 -11.335 9.368 -1.951 1.00 72.33 H new ATOM 0 HD13 LEU A 41 -11.171 9.256 -3.719 1.00 72.33 H new ATOM 0 HD21 LEU A 41 -13.690 10.913 -4.352 1.00 25.00 H new ATOM 0 HD22 LEU A 41 -13.289 9.379 -5.159 1.00 25.00 H new ATOM 0 HD23 LEU A 41 -14.861 9.573 -4.348 1.00 25.00 H new ATOM 666 N GLU A 42 -14.145 5.155 -1.400 1.00 71.34 N ATOM 667 CA GLU A 42 -14.083 3.703 -1.279 1.00 23.35 C ATOM 668 C GLU A 42 -15.476 3.115 -1.076 1.00 43.11 C ATOM 669 O GLU A 42 -15.697 1.923 -1.297 1.00 71.41 O ATOM 670 CB GLU A 42 -13.176 3.306 -0.112 1.00 22.11 C ATOM 671 CG GLU A 42 -12.804 1.832 -0.105 1.00 71.34 C ATOM 672 CD GLU A 42 -12.216 1.385 1.219 1.00 62.11 C ATOM 673 OE1 GLU A 42 -10.993 1.552 1.411 1.00 25.14 O ATOM 674 OE2 GLU A 42 -12.978 0.869 2.063 1.00 15.41 O ATOM 0 H GLU A 42 -13.732 5.662 -0.617 1.00 71.34 H new ATOM 0 HA GLU A 42 -13.669 3.303 -2.205 1.00 23.35 H new ATOM 0 HB2 GLU A 42 -12.264 3.902 -0.152 1.00 22.11 H new ATOM 0 HB3 GLU A 42 -13.676 3.551 0.825 1.00 22.11 H new ATOM 0 HG2 GLU A 42 -13.690 1.236 -0.324 1.00 71.34 H new ATOM 0 HG3 GLU A 42 -12.085 1.639 -0.901 1.00 71.34 H new ATOM 681 N ARG A 43 -16.413 3.958 -0.653 1.00 54.14 N ATOM 682 CA ARG A 43 -17.784 3.521 -0.420 1.00 62.20 C ATOM 683 C ARG A 43 -18.619 3.645 -1.691 1.00 72.14 C ATOM 684 O ARG A 43 -19.555 2.876 -1.910 1.00 10.53 O ATOM 685 CB ARG A 43 -18.420 4.345 0.702 1.00 73.35 C ATOM 686 CG ARG A 43 -18.054 3.861 2.096 1.00 75.03 C ATOM 687 CD ARG A 43 -18.746 2.549 2.429 1.00 34.33 C ATOM 688 NE ARG A 43 -19.708 2.700 3.518 1.00 21.51 N ATOM 689 CZ ARG A 43 -20.423 1.696 4.012 1.00 41.11 C ATOM 690 NH1 ARG A 43 -20.286 0.473 3.516 1.00 72.43 N ATOM 691 NH2 ARG A 43 -21.278 1.912 5.002 1.00 25.05 N ATOM 0 H ARG A 43 -16.247 4.947 -0.465 1.00 54.14 H new ATOM 0 HA ARG A 43 -17.759 2.472 -0.124 1.00 62.20 H new ATOM 0 HB2 ARG A 43 -18.113 5.386 0.596 1.00 73.35 H new ATOM 0 HB3 ARG A 43 -19.504 4.319 0.591 1.00 73.35 H new ATOM 0 HG2 ARG A 43 -16.974 3.732 2.166 1.00 75.03 H new ATOM 0 HG3 ARG A 43 -18.333 4.617 2.830 1.00 75.03 H new ATOM 0 HD2 ARG A 43 -19.257 2.173 1.543 1.00 34.33 H new ATOM 0 HD3 ARG A 43 -17.999 1.805 2.705 1.00 34.33 H new ATOM 0 HE ARG A 43 -19.838 3.628 3.921 1.00 21.51 H new ATOM 0 HH11 ARG A 43 -19.630 0.302 2.754 1.00 72.43 H new ATOM 0 HH12 ARG A 43 -20.836 -0.297 3.897 1.00 72.43 H new ATOM 0 HH21 ARG A 43 -21.388 2.851 5.386 1.00 25.05 H new ATOM 0 HH22 ARG A 43 -21.826 1.139 5.380 1.00 25.05 H new ATOM 705 N PHE A 44 -18.273 4.620 -2.527 1.00 2.31 N ATOM 706 CA PHE A 44 -18.991 4.846 -3.776 1.00 50.32 C ATOM 707 C PHE A 44 -18.620 3.792 -4.815 1.00 52.41 C ATOM 708 O PHE A 44 -19.468 3.022 -5.265 1.00 63.32 O ATOM 709 CB PHE A 44 -18.685 6.243 -4.319 1.00 51.10 C ATOM 710 CG PHE A 44 -19.850 7.187 -4.235 1.00 61.23 C ATOM 711 CD1 PHE A 44 -21.077 6.846 -4.781 1.00 55.35 C ATOM 712 CD2 PHE A 44 -19.718 8.417 -3.610 1.00 2.42 C ATOM 713 CE1 PHE A 44 -22.150 7.712 -4.705 1.00 64.04 C ATOM 714 CE2 PHE A 44 -20.790 9.286 -3.530 1.00 75.51 C ATOM 715 CZ PHE A 44 -22.007 8.934 -4.080 1.00 33.53 C ATOM 0 H PHE A 44 -17.500 5.265 -2.362 1.00 2.31 H new ATOM 0 HA PHE A 44 -20.059 4.769 -3.571 1.00 50.32 H new ATOM 0 HB2 PHE A 44 -17.846 6.664 -3.765 1.00 51.10 H new ATOM 0 HB3 PHE A 44 -18.370 6.159 -5.359 1.00 51.10 H new ATOM 0 HD1 PHE A 44 -21.196 5.891 -5.272 1.00 55.35 H new ATOM 0 HD2 PHE A 44 -18.768 8.699 -3.181 1.00 2.42 H new ATOM 0 HE1 PHE A 44 -23.101 7.433 -5.135 1.00 64.04 H new ATOM 0 HE2 PHE A 44 -20.676 10.240 -3.037 1.00 75.51 H new ATOM 0 HZ PHE A 44 -22.845 9.613 -4.021 1.00 33.53 H new ATOM 725 N ALA A 45 -17.345 3.763 -5.191 1.00 42.24 N ATOM 726 CA ALA A 45 -16.861 2.803 -6.175 1.00 50.24 C ATOM 727 C ALA A 45 -15.471 3.183 -6.675 1.00 11.00 C ATOM 728 O ALA A 45 -15.018 2.697 -7.711 1.00 0.12 O ATOM 729 CB ALA A 45 -17.834 2.705 -7.341 1.00 70.42 C ATOM 0 H ALA A 45 -16.629 4.393 -4.829 1.00 42.24 H new ATOM 0 HA ALA A 45 -16.792 1.829 -5.691 1.00 50.24 H new ATOM 0 HB1 ALA A 45 -17.459 1.984 -8.068 1.00 70.42 H new ATOM 0 HB2 ALA A 45 -18.808 2.379 -6.976 1.00 70.42 H new ATOM 0 HB3 ALA A 45 -17.933 3.681 -7.816 1.00 70.42 H new ATOM 735 N VAL A 46 -14.799 4.057 -5.932 1.00 2.22 N ATOM 736 CA VAL A 46 -13.460 4.503 -6.299 1.00 3.33 C ATOM 737 C VAL A 46 -12.463 4.229 -5.178 1.00 62.42 C ATOM 738 O VAL A 46 -12.779 4.389 -4.000 1.00 23.31 O ATOM 739 CB VAL A 46 -13.441 6.006 -6.633 1.00 55.15 C ATOM 740 CG1 VAL A 46 -12.028 6.463 -6.960 1.00 55.51 C ATOM 741 CG2 VAL A 46 -14.387 6.307 -7.786 1.00 62.44 C ATOM 0 H VAL A 46 -15.160 4.470 -5.072 1.00 2.22 H new ATOM 0 HA VAL A 46 -13.170 3.938 -7.185 1.00 3.33 H new ATOM 0 HB VAL A 46 -13.783 6.559 -5.758 1.00 55.15 H new ATOM 0 HG11 VAL A 46 -12.035 7.528 -7.193 1.00 55.51 H new ATOM 0 HG12 VAL A 46 -11.380 6.284 -6.102 1.00 55.51 H new ATOM 0 HG13 VAL A 46 -11.655 5.906 -7.819 1.00 55.51 H new ATOM 0 HG21 VAL A 46 -14.361 7.374 -8.009 1.00 62.44 H new ATOM 0 HG22 VAL A 46 -14.077 5.745 -8.667 1.00 62.44 H new ATOM 0 HG23 VAL A 46 -15.401 6.019 -7.509 1.00 62.44 H new ATOM 751 N ASN A 47 -11.257 3.818 -5.554 1.00 42.04 N ATOM 752 CA ASN A 47 -10.213 3.522 -4.580 1.00 75.14 C ATOM 753 C ASN A 47 -9.556 4.806 -4.081 1.00 11.33 C ATOM 754 O ASN A 47 -9.332 5.752 -4.835 1.00 35.41 O ATOM 755 CB ASN A 47 -9.156 2.603 -5.197 1.00 64.11 C ATOM 756 CG ASN A 47 -9.666 1.188 -5.396 1.00 25.51 C ATOM 757 OD1 ASN A 47 -10.093 0.818 -6.489 1.00 55.13 O ATOM 758 ND2 ASN A 47 -9.625 0.390 -4.335 1.00 62.31 N ATOM 0 H ASN A 47 -10.978 3.682 -6.526 1.00 42.04 H new ATOM 0 HA ASN A 47 -10.675 3.016 -3.732 1.00 75.14 H new ATOM 0 HB2 ASN A 47 -8.840 3.011 -6.157 1.00 64.11 H new ATOM 0 HB3 ASN A 47 -8.276 2.582 -4.554 1.00 64.11 H new ATOM 0 HD21 ASN A 47 -9.956 -0.572 -4.407 1.00 62.31 H new ATOM 0 HD22 ASN A 47 -9.263 0.739 -3.448 1.00 62.31 H new ATOM 765 N PRO A 48 -9.239 4.839 -2.777 1.00 62.15 N ATOM 766 CA PRO A 48 -8.602 6.000 -2.147 1.00 40.34 C ATOM 767 C PRO A 48 -7.160 6.189 -2.604 1.00 62.33 C ATOM 768 O PRO A 48 -6.515 7.178 -2.261 1.00 75.52 O ATOM 769 CB PRO A 48 -8.652 5.665 -0.655 1.00 14.22 C ATOM 770 CG PRO A 48 -8.705 4.177 -0.603 1.00 32.53 C ATOM 771 CD PRO A 48 -9.477 3.747 -1.819 1.00 73.21 C ATOM 0 HA PRO A 48 -9.105 6.932 -2.405 1.00 40.34 H new ATOM 0 HB2 PRO A 48 -7.775 6.048 -0.133 1.00 14.22 H new ATOM 0 HB3 PRO A 48 -9.526 6.109 -0.178 1.00 14.22 H new ATOM 0 HG2 PRO A 48 -7.702 3.751 -0.607 1.00 32.53 H new ATOM 0 HG3 PRO A 48 -9.193 3.836 0.310 1.00 32.53 H new ATOM 0 HD2 PRO A 48 -9.122 2.791 -2.203 1.00 73.21 H new ATOM 0 HD3 PRO A 48 -10.538 3.628 -1.600 1.00 73.21 H new ATOM 779 N GLY A 49 -6.659 5.232 -3.380 1.00 64.41 N ATOM 780 CA GLY A 49 -5.296 5.313 -3.871 1.00 11.13 C ATOM 781 C GLY A 49 -5.133 6.351 -4.963 1.00 64.44 C ATOM 782 O GLY A 49 -4.012 6.712 -5.326 1.00 3.42 O ATOM 0 H GLY A 49 -7.173 4.403 -3.677 1.00 64.41 H new ATOM 0 HA2 GLY A 49 -4.629 5.553 -3.043 1.00 11.13 H new ATOM 0 HA3 GLY A 49 -4.992 4.338 -4.253 1.00 11.13 H new ATOM 786 N LEU A 50 -6.253 6.834 -5.490 1.00 43.15 N ATOM 787 CA LEU A 50 -6.231 7.836 -6.550 1.00 34.33 C ATOM 788 C LEU A 50 -6.116 9.241 -5.967 1.00 12.05 C ATOM 789 O LEU A 50 -6.044 10.226 -6.703 1.00 23.33 O ATOM 790 CB LEU A 50 -7.492 7.729 -7.408 1.00 24.44 C ATOM 791 CG LEU A 50 -7.880 6.320 -7.858 1.00 71.23 C ATOM 792 CD1 LEU A 50 -9.244 6.331 -8.530 1.00 61.04 C ATOM 793 CD2 LEU A 50 -6.825 5.752 -8.796 1.00 44.41 C ATOM 0 H LEU A 50 -7.188 6.548 -5.200 1.00 43.15 H new ATOM 0 HA LEU A 50 -5.358 7.649 -7.175 1.00 34.33 H new ATOM 0 HB2 LEU A 50 -8.326 8.152 -6.848 1.00 24.44 H new ATOM 0 HB3 LEU A 50 -7.357 8.348 -8.295 1.00 24.44 H new ATOM 0 HG LEU A 50 -7.938 5.680 -6.978 1.00 71.23 H new ATOM 0 HD11 LEU A 50 -9.503 5.320 -8.844 1.00 61.04 H new ATOM 0 HD12 LEU A 50 -9.993 6.696 -7.827 1.00 61.04 H new ATOM 0 HD13 LEU A 50 -9.215 6.985 -9.402 1.00 61.04 H new ATOM 0 HD21 LEU A 50 -7.117 4.749 -9.107 1.00 44.41 H new ATOM 0 HD22 LEU A 50 -6.736 6.392 -9.674 1.00 44.41 H new ATOM 0 HD23 LEU A 50 -5.866 5.708 -8.280 1.00 44.41 H new ATOM 805 N LEU A 51 -6.098 9.327 -4.641 1.00 40.15 N ATOM 806 CA LEU A 51 -5.990 10.611 -3.959 1.00 21.21 C ATOM 807 C LEU A 51 -4.531 10.958 -3.680 1.00 71.12 C ATOM 808 O LEU A 51 -4.168 12.131 -3.594 1.00 21.24 O ATOM 809 CB LEU A 51 -6.779 10.583 -2.648 1.00 74.31 C ATOM 810 CG LEU A 51 -8.298 10.471 -2.782 1.00 3.34 C ATOM 811 CD1 LEU A 51 -8.928 10.141 -1.438 1.00 44.21 C ATOM 812 CD2 LEU A 51 -8.881 11.758 -3.345 1.00 43.00 C ATOM 0 H LEU A 51 -6.157 8.522 -4.017 1.00 40.15 H new ATOM 0 HA LEU A 51 -6.409 11.377 -4.611 1.00 21.21 H new ATOM 0 HB2 LEU A 51 -6.424 9.743 -2.051 1.00 74.31 H new ATOM 0 HB3 LEU A 51 -6.549 11.490 -2.089 1.00 74.31 H new ATOM 0 HG LEU A 51 -8.524 9.661 -3.475 1.00 3.34 H new ATOM 0 HD11 LEU A 51 -10.009 10.065 -1.552 1.00 44.21 H new ATOM 0 HD12 LEU A 51 -8.534 9.192 -1.075 1.00 44.21 H new ATOM 0 HD13 LEU A 51 -8.693 10.929 -0.723 1.00 44.21 H new ATOM 0 HD21 LEU A 51 -9.963 11.659 -3.433 1.00 43.00 H new ATOM 0 HD22 LEU A 51 -8.645 12.587 -2.677 1.00 43.00 H new ATOM 0 HD23 LEU A 51 -8.453 11.952 -4.329 1.00 43.00 H new ATOM 824 N GLU A 52 -3.699 9.931 -3.542 1.00 21.03 N ATOM 825 CA GLU A 52 -2.280 10.128 -3.273 1.00 72.34 C ATOM 826 C GLU A 52 -1.575 10.728 -4.488 1.00 3.23 C ATOM 827 O GLU A 52 -0.524 11.357 -4.363 1.00 5.24 O ATOM 828 CB GLU A 52 -1.620 8.801 -2.892 1.00 21.24 C ATOM 829 CG GLU A 52 -1.704 7.744 -3.980 1.00 62.14 C ATOM 830 CD GLU A 52 -0.364 7.100 -4.273 1.00 11.24 C ATOM 831 OE1 GLU A 52 0.621 7.843 -4.469 1.00 72.34 O ATOM 832 OE2 GLU A 52 -0.298 5.853 -4.306 1.00 21.45 O ATOM 0 H GLU A 52 -3.983 8.954 -3.612 1.00 21.03 H new ATOM 0 HA GLU A 52 -2.188 10.824 -2.439 1.00 72.34 H new ATOM 0 HB2 GLU A 52 -0.572 8.982 -2.653 1.00 21.24 H new ATOM 0 HB3 GLU A 52 -2.091 8.417 -1.987 1.00 21.24 H new ATOM 0 HG2 GLU A 52 -2.415 6.974 -3.679 1.00 62.14 H new ATOM 0 HG3 GLU A 52 -2.092 8.197 -4.892 1.00 62.14 H new ATOM 839 N THR A 53 -2.163 10.529 -5.664 1.00 12.33 N ATOM 840 CA THR A 53 -1.592 11.048 -6.900 1.00 61.12 C ATOM 841 C THR A 53 -2.534 12.046 -7.564 1.00 13.22 C ATOM 842 O THR A 53 -3.707 11.751 -7.789 1.00 45.32 O ATOM 843 CB THR A 53 -1.281 9.913 -7.894 1.00 64.34 C ATOM 844 OG1 THR A 53 -2.410 9.685 -8.746 1.00 2.33 O ATOM 845 CG2 THR A 53 -0.926 8.630 -7.158 1.00 60.13 C ATOM 0 H THR A 53 -3.034 10.012 -5.786 1.00 12.33 H new ATOM 0 HA THR A 53 -0.663 11.552 -6.633 1.00 61.12 H new ATOM 0 HB THR A 53 -0.425 10.214 -8.498 1.00 64.34 H new ATOM 0 HG1 THR A 53 -2.204 8.963 -9.376 1.00 2.33 H new ATOM 0 HG21 THR A 53 -0.711 7.843 -7.881 1.00 60.13 H new ATOM 0 HG22 THR A 53 -0.049 8.799 -6.534 1.00 60.13 H new ATOM 0 HG23 THR A 53 -1.764 8.327 -6.531 1.00 60.13 H new ATOM 853 N SER A 54 -2.012 13.227 -7.875 1.00 70.43 N ATOM 854 CA SER A 54 -2.808 14.271 -8.511 1.00 61.10 C ATOM 855 C SER A 54 -3.551 13.724 -9.726 1.00 1.22 C ATOM 856 O SER A 54 -4.680 14.125 -10.008 1.00 50.11 O ATOM 857 CB SER A 54 -1.914 15.440 -8.930 1.00 63.23 C ATOM 858 OG SER A 54 -1.745 15.474 -10.336 1.00 53.34 O ATOM 0 H SER A 54 -1.042 13.486 -7.697 1.00 70.43 H new ATOM 0 HA SER A 54 -3.542 14.625 -7.787 1.00 61.10 H new ATOM 0 HB2 SER A 54 -2.354 16.378 -8.591 1.00 63.23 H new ATOM 0 HB3 SER A 54 -0.942 15.350 -8.446 1.00 63.23 H new ATOM 0 HG SER A 54 -1.171 16.231 -10.578 1.00 53.34 H new ATOM 864 N GLU A 55 -2.909 12.805 -10.440 1.00 43.22 N ATOM 865 CA GLU A 55 -3.509 12.203 -11.625 1.00 13.43 C ATOM 866 C GLU A 55 -4.807 11.484 -11.271 1.00 24.20 C ATOM 867 O GLU A 55 -5.769 11.503 -12.039 1.00 31.02 O ATOM 868 CB GLU A 55 -2.531 11.221 -12.276 1.00 33.42 C ATOM 869 CG GLU A 55 -3.036 10.636 -13.584 1.00 20.41 C ATOM 870 CD GLU A 55 -2.647 9.182 -13.762 1.00 13.25 C ATOM 871 OE1 GLU A 55 -1.434 8.900 -13.853 1.00 73.32 O ATOM 872 OE2 GLU A 55 -3.555 8.325 -13.809 1.00 72.31 O ATOM 0 H GLU A 55 -1.974 12.461 -10.219 1.00 43.22 H new ATOM 0 HA GLU A 55 -3.736 13.001 -12.332 1.00 13.43 H new ATOM 0 HB2 GLU A 55 -1.584 11.730 -12.457 1.00 33.42 H new ATOM 0 HB3 GLU A 55 -2.327 10.408 -11.579 1.00 33.42 H new ATOM 0 HG2 GLU A 55 -4.122 10.725 -13.622 1.00 20.41 H new ATOM 0 HG3 GLU A 55 -2.639 11.219 -14.415 1.00 20.41 H new ATOM 879 N GLY A 56 -4.827 10.849 -10.103 1.00 50.40 N ATOM 880 CA GLY A 56 -6.012 10.132 -9.668 1.00 52.44 C ATOM 881 C GLY A 56 -7.117 11.063 -9.211 1.00 0.02 C ATOM 882 O GLY A 56 -8.300 10.750 -9.355 1.00 34.42 O ATOM 0 H GLY A 56 -4.044 10.818 -9.450 1.00 50.40 H new ATOM 0 HA2 GLY A 56 -6.379 9.512 -10.486 1.00 52.44 H new ATOM 0 HA3 GLY A 56 -5.747 9.459 -8.852 1.00 52.44 H new ATOM 886 N CYS A 57 -6.734 12.207 -8.656 1.00 35.41 N ATOM 887 CA CYS A 57 -7.700 13.185 -8.173 1.00 65.31 C ATOM 888 C CYS A 57 -8.358 13.921 -9.337 1.00 2.33 C ATOM 889 O CYS A 57 -9.433 14.503 -9.188 1.00 34.22 O ATOM 890 CB CYS A 57 -7.021 14.189 -7.240 1.00 0.53 C ATOM 891 SG CYS A 57 -7.301 13.868 -5.482 1.00 21.02 S ATOM 0 H CYS A 57 -5.759 12.480 -8.529 1.00 35.41 H new ATOM 0 HA CYS A 57 -8.472 12.651 -7.620 1.00 65.31 H new ATOM 0 HB2 CYS A 57 -5.948 14.181 -7.434 1.00 0.53 H new ATOM 0 HB3 CYS A 57 -7.380 15.190 -7.477 1.00 0.53 H new ATOM 0 HG CYS A 57 -8.575 13.726 -5.264 1.00 21.02 H new ATOM 897 N ARG A 58 -7.705 13.891 -10.494 1.00 12.44 N ATOM 898 CA ARG A 58 -8.225 14.556 -11.682 1.00 52.11 C ATOM 899 C ARG A 58 -9.450 13.825 -12.223 1.00 14.04 C ATOM 900 O ARG A 58 -10.388 14.450 -12.717 1.00 14.11 O ATOM 901 CB ARG A 58 -7.145 14.633 -12.763 1.00 32.21 C ATOM 902 CG ARG A 58 -7.480 15.593 -13.892 1.00 65.34 C ATOM 903 CD ARG A 58 -7.066 15.031 -15.243 1.00 0.15 C ATOM 904 NE ARG A 58 -7.334 15.967 -16.332 1.00 4.15 N ATOM 905 CZ ARG A 58 -7.172 15.667 -17.615 1.00 11.23 C ATOM 906 NH1 ARG A 58 -6.744 14.463 -17.969 1.00 64.01 N ATOM 907 NH2 ARG A 58 -7.438 16.573 -18.547 1.00 53.24 N ATOM 0 H ARG A 58 -6.815 13.413 -10.634 1.00 12.44 H new ATOM 0 HA ARG A 58 -8.522 15.567 -11.401 1.00 52.11 H new ATOM 0 HB2 ARG A 58 -6.205 14.939 -12.304 1.00 32.21 H new ATOM 0 HB3 ARG A 58 -6.987 13.638 -13.179 1.00 32.21 H new ATOM 0 HG2 ARG A 58 -8.551 15.795 -13.894 1.00 65.34 H new ATOM 0 HG3 ARG A 58 -6.977 16.545 -13.723 1.00 65.34 H new ATOM 0 HD2 ARG A 58 -6.003 14.791 -15.225 1.00 0.15 H new ATOM 0 HD3 ARG A 58 -7.600 14.099 -15.427 1.00 0.15 H new ATOM 0 HE ARG A 58 -7.664 16.902 -16.094 1.00 4.15 H new ATOM 0 HH11 ARG A 58 -6.538 13.764 -17.255 1.00 64.01 H new ATOM 0 HH12 ARG A 58 -6.620 14.235 -18.956 1.00 64.01 H new ATOM 0 HH21 ARG A 58 -7.767 17.500 -18.278 1.00 53.24 H new ATOM 0 HH22 ARG A 58 -7.313 16.342 -19.533 1.00 53.24 H new ATOM 921 N GLN A 59 -9.432 12.499 -12.126 1.00 33.53 N ATOM 922 CA GLN A 59 -10.541 11.685 -12.606 1.00 42.15 C ATOM 923 C GLN A 59 -11.757 11.827 -11.696 1.00 74.12 C ATOM 924 O GLN A 59 -12.898 11.732 -12.149 1.00 50.23 O ATOM 925 CB GLN A 59 -10.123 10.216 -12.692 1.00 35.11 C ATOM 926 CG GLN A 59 -10.437 9.570 -14.032 1.00 60.45 C ATOM 927 CD GLN A 59 -10.061 8.102 -14.076 1.00 3.24 C ATOM 928 OE1 GLN A 59 -10.399 7.336 -13.172 1.00 72.31 O ATOM 929 NE2 GLN A 59 -9.360 7.701 -15.128 1.00 74.40 N ATOM 0 H GLN A 59 -8.662 11.967 -11.720 1.00 33.53 H new ATOM 0 HA GLN A 59 -10.812 12.038 -13.601 1.00 42.15 H new ATOM 0 HB2 GLN A 59 -9.052 10.140 -12.504 1.00 35.11 H new ATOM 0 HB3 GLN A 59 -10.626 9.657 -11.902 1.00 35.11 H new ATOM 0 HG2 GLN A 59 -11.502 9.675 -14.241 1.00 60.45 H new ATOM 0 HG3 GLN A 59 -9.904 10.101 -14.821 1.00 60.45 H new ATOM 0 HE21 GLN A 59 -9.102 8.370 -15.854 1.00 74.40 H new ATOM 0 HE22 GLN A 59 -9.079 6.724 -15.211 1.00 74.40 H new ATOM 938 N ILE A 60 -11.504 12.055 -10.412 1.00 54.14 N ATOM 939 CA ILE A 60 -12.578 12.211 -9.439 1.00 32.00 C ATOM 940 C ILE A 60 -13.372 13.488 -9.697 1.00 32.13 C ATOM 941 O ILE A 60 -14.599 13.461 -9.783 1.00 64.34 O ATOM 942 CB ILE A 60 -12.033 12.241 -7.998 1.00 74.54 C ATOM 943 CG1 ILE A 60 -11.230 10.971 -7.707 1.00 61.05 C ATOM 944 CG2 ILE A 60 -13.173 12.394 -7.003 1.00 40.45 C ATOM 945 CD1 ILE A 60 -10.285 11.109 -6.535 1.00 74.24 C ATOM 0 H ILE A 60 -10.565 12.136 -10.021 1.00 54.14 H new ATOM 0 HA ILE A 60 -13.234 11.348 -9.552 1.00 32.00 H new ATOM 0 HB ILE A 60 -11.370 13.100 -7.894 1.00 74.54 H new ATOM 0 HG12 ILE A 60 -11.921 10.151 -7.512 1.00 61.05 H new ATOM 0 HG13 ILE A 60 -10.658 10.701 -8.595 1.00 61.05 H new ATOM 0 HG21 ILE A 60 -12.771 12.413 -5.990 1.00 40.45 H new ATOM 0 HG22 ILE A 60 -13.706 13.324 -7.200 1.00 40.45 H new ATOM 0 HG23 ILE A 60 -13.860 11.554 -7.105 1.00 40.45 H new ATOM 0 HD11 ILE A 60 -9.749 10.171 -6.387 1.00 74.24 H new ATOM 0 HD12 ILE A 60 -9.570 11.907 -6.736 1.00 74.24 H new ATOM 0 HD13 ILE A 60 -10.853 11.348 -5.636 1.00 74.24 H new ATOM 957 N LEU A 61 -12.662 14.605 -9.819 1.00 10.51 N ATOM 958 CA LEU A 61 -13.300 15.892 -10.069 1.00 1.25 C ATOM 959 C LEU A 61 -14.024 15.890 -11.411 1.00 2.42 C ATOM 960 O LEU A 61 -15.166 16.337 -11.513 1.00 34.12 O ATOM 961 CB LEU A 61 -12.259 17.013 -10.041 1.00 11.55 C ATOM 962 CG LEU A 61 -11.504 17.194 -8.723 1.00 2.10 C ATOM 963 CD1 LEU A 61 -10.128 17.791 -8.975 1.00 32.42 C ATOM 964 CD2 LEU A 61 -12.301 18.069 -7.767 1.00 72.11 C ATOM 0 H LEU A 61 -11.645 14.645 -9.749 1.00 10.51 H new ATOM 0 HA LEU A 61 -14.034 16.065 -9.282 1.00 1.25 H new ATOM 0 HB2 LEU A 61 -11.531 16.826 -10.831 1.00 11.55 H new ATOM 0 HB3 LEU A 61 -12.758 17.951 -10.283 1.00 11.55 H new ATOM 0 HG LEU A 61 -11.374 16.214 -8.263 1.00 2.10 H new ATOM 0 HD11 LEU A 61 -9.605 17.913 -8.026 1.00 32.42 H new ATOM 0 HD12 LEU A 61 -9.556 17.126 -9.622 1.00 32.42 H new ATOM 0 HD13 LEU A 61 -10.236 18.763 -9.457 1.00 32.42 H new ATOM 0 HD21 LEU A 61 -11.748 18.187 -6.835 1.00 72.11 H new ATOM 0 HD22 LEU A 61 -12.463 19.048 -8.219 1.00 72.11 H new ATOM 0 HD23 LEU A 61 -13.263 17.600 -7.561 1.00 72.11 H new ATOM 976 N GLY A 62 -13.353 15.380 -12.440 1.00 22.42 N ATOM 977 CA GLY A 62 -13.949 15.328 -13.762 1.00 12.45 C ATOM 978 C GLY A 62 -15.120 14.367 -13.831 1.00 33.51 C ATOM 979 O GLY A 62 -15.899 14.398 -14.783 1.00 62.01 O ATOM 0 H GLY A 62 -12.407 15.002 -12.381 1.00 22.42 H new ATOM 0 HA2 GLY A 62 -14.284 16.326 -14.046 1.00 12.45 H new ATOM 0 HA3 GLY A 62 -13.193 15.027 -14.487 1.00 12.45 H new ATOM 983 N GLN A 63 -15.243 13.513 -12.822 1.00 12.55 N ATOM 984 CA GLN A 63 -16.327 12.538 -12.774 1.00 55.10 C ATOM 985 C GLN A 63 -17.531 13.099 -12.025 1.00 64.44 C ATOM 986 O GLN A 63 -18.670 12.980 -12.481 1.00 52.05 O ATOM 987 CB GLN A 63 -15.851 11.247 -12.104 1.00 64.34 C ATOM 988 CG GLN A 63 -15.216 10.259 -13.069 1.00 72.32 C ATOM 989 CD GLN A 63 -16.119 9.081 -13.377 1.00 61.30 C ATOM 990 OE1 GLN A 63 -17.343 9.183 -13.289 1.00 11.25 O ATOM 991 NE2 GLN A 63 -15.519 7.955 -13.742 1.00 51.22 N ATOM 0 H GLN A 63 -14.606 13.475 -12.026 1.00 12.55 H new ATOM 0 HA GLN A 63 -16.629 12.318 -13.798 1.00 55.10 H new ATOM 0 HB2 GLN A 63 -15.130 11.496 -11.325 1.00 64.34 H new ATOM 0 HB3 GLN A 63 -16.698 10.769 -11.613 1.00 64.34 H new ATOM 0 HG2 GLN A 63 -14.967 10.773 -13.997 1.00 72.32 H new ATOM 0 HG3 GLN A 63 -14.280 9.894 -12.646 1.00 72.32 H new ATOM 0 HE21 GLN A 63 -14.502 7.915 -13.802 1.00 51.22 H new ATOM 0 HE22 GLN A 63 -16.075 7.129 -13.963 1.00 51.22 H new ATOM 1000 N LEU A 64 -17.274 13.711 -10.876 1.00 24.54 N ATOM 1001 CA LEU A 64 -18.338 14.292 -10.063 1.00 55.01 C ATOM 1002 C LEU A 64 -18.798 15.626 -10.641 1.00 23.52 C ATOM 1003 O LEU A 64 -19.950 16.023 -10.469 1.00 1.15 O ATOM 1004 CB LEU A 64 -17.859 14.484 -8.623 1.00 12.11 C ATOM 1005 CG LEU A 64 -17.249 13.255 -7.948 1.00 21.22 C ATOM 1006 CD1 LEU A 64 -16.523 13.652 -6.672 1.00 22.03 C ATOM 1007 CD2 LEU A 64 -18.326 12.221 -7.652 1.00 53.02 C ATOM 0 H LEU A 64 -16.338 13.819 -10.485 1.00 24.54 H new ATOM 0 HA LEU A 64 -19.184 13.604 -10.069 1.00 55.01 H new ATOM 0 HB2 LEU A 64 -17.119 15.285 -8.611 1.00 12.11 H new ATOM 0 HB3 LEU A 64 -18.704 14.822 -8.022 1.00 12.11 H new ATOM 0 HG LEU A 64 -16.524 12.811 -8.630 1.00 21.22 H new ATOM 0 HD11 LEU A 64 -16.095 12.764 -6.205 1.00 22.03 H new ATOM 0 HD12 LEU A 64 -15.726 14.356 -6.911 1.00 22.03 H new ATOM 0 HD13 LEU A 64 -17.227 14.120 -5.984 1.00 22.03 H new ATOM 0 HD21 LEU A 64 -17.875 11.353 -7.172 1.00 53.02 H new ATOM 0 HD22 LEU A 64 -19.074 12.655 -6.989 1.00 53.02 H new ATOM 0 HD23 LEU A 64 -18.801 11.914 -8.584 1.00 53.02 H new ATOM 1019 N GLN A 65 -17.891 16.312 -11.328 1.00 54.35 N ATOM 1020 CA GLN A 65 -18.205 17.601 -11.933 1.00 21.02 C ATOM 1021 C GLN A 65 -19.522 17.536 -12.698 1.00 21.43 C ATOM 1022 O GLN A 65 -20.460 18.289 -12.434 1.00 34.42 O ATOM 1023 CB GLN A 65 -17.078 18.038 -12.870 1.00 10.44 C ATOM 1024 CG GLN A 65 -17.493 19.111 -13.862 1.00 71.03 C ATOM 1025 CD GLN A 65 -17.763 18.552 -15.246 1.00 21.43 C ATOM 1026 OE1 GLN A 65 -16.876 17.984 -15.883 1.00 20.01 O ATOM 1027 NE2 GLN A 65 -18.994 18.713 -15.719 1.00 13.34 N ATOM 0 H GLN A 65 -16.933 15.997 -11.480 1.00 54.35 H new ATOM 0 HA GLN A 65 -18.306 18.334 -11.133 1.00 21.02 H new ATOM 0 HB2 GLN A 65 -16.245 18.409 -12.274 1.00 10.44 H new ATOM 0 HB3 GLN A 65 -16.715 17.169 -13.418 1.00 10.44 H new ATOM 0 HG2 GLN A 65 -18.389 19.613 -13.496 1.00 71.03 H new ATOM 0 HG3 GLN A 65 -16.709 19.865 -13.925 1.00 71.03 H new ATOM 0 HE21 GLN A 65 -19.698 19.190 -15.156 1.00 13.34 H new ATOM 0 HE22 GLN A 65 -19.235 18.359 -16.645 1.00 13.34 H new ATOM 1036 N PRO A 66 -19.598 16.616 -13.671 1.00 34.33 N ATOM 1037 CA PRO A 66 -20.796 16.431 -14.495 1.00 30.13 C ATOM 1038 C PRO A 66 -21.956 15.834 -13.705 1.00 74.03 C ATOM 1039 O PRO A 66 -23.079 15.751 -14.202 1.00 3.00 O ATOM 1040 CB PRO A 66 -20.332 15.459 -15.583 1.00 14.15 C ATOM 1041 CG PRO A 66 -19.199 14.713 -14.965 1.00 64.21 C ATOM 1042 CD PRO A 66 -18.519 15.685 -14.041 1.00 13.41 C ATOM 0 HA PRO A 66 -21.174 17.377 -14.883 1.00 30.13 H new ATOM 0 HB2 PRO A 66 -21.135 14.785 -15.880 1.00 14.15 H new ATOM 0 HB3 PRO A 66 -20.014 15.991 -16.480 1.00 14.15 H new ATOM 0 HG2 PRO A 66 -19.558 13.841 -14.419 1.00 64.21 H new ATOM 0 HG3 PRO A 66 -18.509 14.350 -15.727 1.00 64.21 H new ATOM 0 HD2 PRO A 66 -18.103 15.184 -13.167 1.00 13.41 H new ATOM 0 HD3 PRO A 66 -17.695 16.200 -14.535 1.00 13.41 H new ATOM 1050 N SER A 67 -21.676 15.420 -12.474 1.00 52.24 N ATOM 1051 CA SER A 67 -22.696 14.827 -11.617 1.00 71.24 C ATOM 1052 C SER A 67 -23.148 15.815 -10.546 1.00 73.12 C ATOM 1053 O SER A 67 -24.005 15.503 -9.719 1.00 1.04 O ATOM 1054 CB SER A 67 -22.163 13.554 -10.959 1.00 54.52 C ATOM 1055 OG SER A 67 -21.757 12.607 -11.933 1.00 5.01 O ATOM 0 H SER A 67 -20.752 15.484 -12.047 1.00 52.24 H new ATOM 0 HA SER A 67 -23.555 14.574 -12.239 1.00 71.24 H new ATOM 0 HB2 SER A 67 -21.320 13.800 -10.313 1.00 54.52 H new ATOM 0 HB3 SER A 67 -22.935 13.119 -10.324 1.00 54.52 H new ATOM 0 HG SER A 67 -20.800 12.713 -12.114 1.00 5.01 H new ATOM 1061 N LEU A 68 -22.565 17.009 -10.570 1.00 23.42 N ATOM 1062 CA LEU A 68 -22.907 18.046 -9.602 1.00 4.43 C ATOM 1063 C LEU A 68 -24.363 18.474 -9.753 1.00 3.25 C ATOM 1064 O LEU A 68 -24.926 19.114 -8.866 1.00 24.22 O ATOM 1065 CB LEU A 68 -21.987 19.256 -9.774 1.00 2.14 C ATOM 1066 CG LEU A 68 -20.632 19.174 -9.071 1.00 30.14 C ATOM 1067 CD1 LEU A 68 -19.619 20.077 -9.757 1.00 44.15 C ATOM 1068 CD2 LEU A 68 -20.771 19.546 -7.602 1.00 14.03 C ATOM 0 H LEU A 68 -21.854 17.283 -11.248 1.00 23.42 H new ATOM 0 HA LEU A 68 -22.771 17.633 -8.602 1.00 4.43 H new ATOM 0 HB2 LEU A 68 -21.813 19.406 -10.839 1.00 2.14 H new ATOM 0 HB3 LEU A 68 -22.510 20.140 -9.409 1.00 2.14 H new ATOM 0 HG LEU A 68 -20.273 18.147 -9.134 1.00 30.14 H new ATOM 0 HD11 LEU A 68 -18.661 20.005 -9.243 1.00 44.15 H new ATOM 0 HD12 LEU A 68 -19.498 19.766 -10.795 1.00 44.15 H new ATOM 0 HD13 LEU A 68 -19.971 21.108 -9.726 1.00 44.15 H new ATOM 0 HD21 LEU A 68 -19.797 19.482 -7.117 1.00 14.03 H new ATOM 0 HD22 LEU A 68 -21.152 20.564 -7.519 1.00 14.03 H new ATOM 0 HD23 LEU A 68 -21.464 18.859 -7.117 1.00 14.03 H new ATOM 1080 N GLN A 69 -24.967 18.115 -10.881 1.00 54.34 N ATOM 1081 CA GLN A 69 -26.358 18.460 -11.147 1.00 72.41 C ATOM 1082 C GLN A 69 -27.300 17.639 -10.273 1.00 72.33 C ATOM 1083 O GLN A 69 -28.237 18.173 -9.681 1.00 2.15 O ATOM 1084 CB GLN A 69 -26.687 18.236 -12.624 1.00 61.44 C ATOM 1085 CG GLN A 69 -27.666 19.252 -13.190 1.00 75.33 C ATOM 1086 CD GLN A 69 -27.099 20.659 -13.214 1.00 50.40 C ATOM 1087 OE1 GLN A 69 -26.111 20.930 -13.897 1.00 60.42 O ATOM 1088 NE2 GLN A 69 -27.722 21.561 -12.466 1.00 45.03 N ATOM 0 H GLN A 69 -24.514 17.585 -11.626 1.00 54.34 H new ATOM 0 HA GLN A 69 -26.497 19.514 -10.907 1.00 72.41 H new ATOM 0 HB2 GLN A 69 -25.764 18.272 -13.203 1.00 61.44 H new ATOM 0 HB3 GLN A 69 -27.102 17.236 -12.748 1.00 61.44 H new ATOM 0 HG2 GLN A 69 -27.943 18.959 -14.203 1.00 75.33 H new ATOM 0 HG3 GLN A 69 -28.579 19.242 -12.594 1.00 75.33 H new ATOM 0 HE21 GLN A 69 -28.538 21.292 -11.916 1.00 45.03 H new ATOM 0 HE22 GLN A 69 -27.385 22.524 -12.441 1.00 45.03 H new ATOM 1097 N THR A 70 -27.045 16.337 -10.198 1.00 53.20 N ATOM 1098 CA THR A 70 -27.870 15.441 -9.398 1.00 44.21 C ATOM 1099 C THR A 70 -27.064 14.815 -8.265 1.00 72.31 C ATOM 1100 O THR A 70 -27.305 13.672 -7.878 1.00 34.14 O ATOM 1101 CB THR A 70 -28.481 14.320 -10.260 1.00 35.25 C ATOM 1102 OG1 THR A 70 -27.494 13.802 -11.159 1.00 60.55 O ATOM 1103 CG2 THR A 70 -29.675 14.833 -11.048 1.00 73.14 C ATOM 0 H THR A 70 -26.273 15.879 -10.682 1.00 53.20 H new ATOM 0 HA THR A 70 -28.674 16.044 -8.977 1.00 44.21 H new ATOM 0 HB THR A 70 -28.820 13.525 -9.597 1.00 35.25 H new ATOM 0 HG1 THR A 70 -27.889 13.089 -11.703 1.00 60.55 H new ATOM 0 HG21 THR A 70 -30.089 14.023 -11.649 1.00 73.14 H new ATOM 0 HG22 THR A 70 -30.436 15.199 -10.359 1.00 73.14 H new ATOM 0 HG23 THR A 70 -29.357 15.645 -11.702 1.00 73.14 H new ATOM 1111 N GLY A 71 -26.106 15.571 -7.739 1.00 34.15 N ATOM 1112 CA GLY A 71 -25.279 15.073 -6.654 1.00 64.31 C ATOM 1113 C GLY A 71 -25.766 15.535 -5.295 1.00 13.11 C ATOM 1114 O GLY A 71 -25.905 16.734 -5.053 1.00 31.14 O ATOM 0 H GLY A 71 -25.887 16.519 -8.044 1.00 34.15 H new ATOM 0 HA2 GLY A 71 -25.267 13.983 -6.681 1.00 64.31 H new ATOM 0 HA3 GLY A 71 -24.252 15.407 -6.801 1.00 64.31 H new ATOM 1118 N SER A 72 -26.026 14.582 -4.406 1.00 64.24 N ATOM 1119 CA SER A 72 -26.505 14.897 -3.065 1.00 41.00 C ATOM 1120 C SER A 72 -25.485 15.742 -2.308 1.00 55.24 C ATOM 1121 O SER A 72 -24.502 16.210 -2.884 1.00 65.43 O ATOM 1122 CB SER A 72 -26.795 13.611 -2.289 1.00 34.00 C ATOM 1123 OG SER A 72 -25.595 12.948 -1.933 1.00 74.33 O ATOM 0 H SER A 72 -25.913 13.585 -4.590 1.00 64.24 H new ATOM 0 HA SER A 72 -27.427 15.471 -3.161 1.00 41.00 H new ATOM 0 HB2 SER A 72 -27.365 13.846 -1.390 1.00 34.00 H new ATOM 0 HB3 SER A 72 -27.414 12.949 -2.895 1.00 34.00 H new ATOM 0 HG SER A 72 -25.808 12.130 -1.437 1.00 74.33 H new ATOM 1129 N GLU A 73 -25.725 15.931 -1.015 1.00 20.31 N ATOM 1130 CA GLU A 73 -24.827 16.721 -0.179 1.00 44.22 C ATOM 1131 C GLU A 73 -23.483 16.018 -0.010 1.00 12.43 C ATOM 1132 O GLU A 73 -22.434 16.661 0.009 1.00 10.12 O ATOM 1133 CB GLU A 73 -25.460 16.972 1.191 1.00 52.02 C ATOM 1134 CG GLU A 73 -26.236 18.276 1.273 1.00 40.45 C ATOM 1135 CD GLU A 73 -27.494 18.154 2.110 1.00 1.01 C ATOM 1136 OE1 GLU A 73 -27.410 18.341 3.341 1.00 35.21 O ATOM 1137 OE2 GLU A 73 -28.566 17.871 1.532 1.00 73.55 O ATOM 0 H GLU A 73 -26.533 15.549 -0.523 1.00 20.31 H new ATOM 0 HA GLU A 73 -24.658 17.677 -0.674 1.00 44.22 H new ATOM 0 HB2 GLU A 73 -26.129 16.145 1.430 1.00 52.02 H new ATOM 0 HB3 GLU A 73 -24.676 16.977 1.949 1.00 52.02 H new ATOM 0 HG2 GLU A 73 -25.596 19.050 1.697 1.00 40.45 H new ATOM 0 HG3 GLU A 73 -26.503 18.599 0.267 1.00 40.45 H new ATOM 1144 N GLU A 74 -23.525 14.695 0.113 1.00 53.20 N ATOM 1145 CA GLU A 74 -22.310 13.906 0.282 1.00 4.20 C ATOM 1146 C GLU A 74 -21.338 14.151 -0.867 1.00 74.31 C ATOM 1147 O GLU A 74 -20.131 14.282 -0.657 1.00 74.54 O ATOM 1148 CB GLU A 74 -22.652 12.416 0.367 1.00 51.15 C ATOM 1149 CG GLU A 74 -23.385 12.031 1.641 1.00 51.21 C ATOM 1150 CD GLU A 74 -24.570 11.123 1.381 1.00 53.45 C ATOM 1151 OE1 GLU A 74 -24.426 10.177 0.577 1.00 11.40 O ATOM 1152 OE2 GLU A 74 -25.641 11.356 1.979 1.00 73.20 O ATOM 0 H GLU A 74 -24.386 14.148 0.099 1.00 53.20 H new ATOM 0 HA GLU A 74 -21.832 14.216 1.211 1.00 4.20 H new ATOM 0 HB2 GLU A 74 -23.266 12.143 -0.492 1.00 51.15 H new ATOM 0 HB3 GLU A 74 -21.732 11.836 0.298 1.00 51.15 H new ATOM 0 HG2 GLU A 74 -22.692 11.532 2.318 1.00 51.21 H new ATOM 0 HG3 GLU A 74 -23.728 12.934 2.145 1.00 51.21 H new ATOM 1159 N LEU A 75 -21.870 14.211 -2.083 1.00 41.32 N ATOM 1160 CA LEU A 75 -21.049 14.441 -3.267 1.00 5.50 C ATOM 1161 C LEU A 75 -20.547 15.880 -3.311 1.00 51.54 C ATOM 1162 O LEU A 75 -19.464 16.154 -3.830 1.00 3.54 O ATOM 1163 CB LEU A 75 -21.849 14.129 -4.533 1.00 43.03 C ATOM 1164 CG LEU A 75 -21.041 14.016 -5.827 1.00 11.22 C ATOM 1165 CD1 LEU A 75 -21.573 12.883 -6.690 1.00 53.24 C ATOM 1166 CD2 LEU A 75 -21.072 15.331 -6.591 1.00 63.13 C ATOM 0 H LEU A 75 -22.866 14.104 -2.275 1.00 41.32 H new ATOM 0 HA LEU A 75 -20.186 13.777 -3.216 1.00 5.50 H new ATOM 0 HB2 LEU A 75 -22.384 13.192 -4.379 1.00 43.03 H new ATOM 0 HB3 LEU A 75 -22.601 14.907 -4.665 1.00 43.03 H new ATOM 0 HG LEU A 75 -20.006 13.793 -5.569 1.00 11.22 H new ATOM 0 HD11 LEU A 75 -20.986 12.817 -7.606 1.00 53.24 H new ATOM 0 HD12 LEU A 75 -21.498 11.943 -6.143 1.00 53.24 H new ATOM 0 HD13 LEU A 75 -22.616 13.075 -6.940 1.00 53.24 H new ATOM 0 HD21 LEU A 75 -20.492 15.232 -7.509 1.00 63.13 H new ATOM 0 HD22 LEU A 75 -22.103 15.584 -6.839 1.00 63.13 H new ATOM 0 HD23 LEU A 75 -20.643 16.121 -5.974 1.00 63.13 H new ATOM 1178 N ARG A 76 -21.339 16.794 -2.762 1.00 73.10 N ATOM 1179 CA ARG A 76 -20.972 18.206 -2.737 1.00 62.11 C ATOM 1180 C ARG A 76 -19.684 18.419 -1.950 1.00 34.14 C ATOM 1181 O ARG A 76 -18.708 18.962 -2.471 1.00 50.42 O ATOM 1182 CB ARG A 76 -22.101 19.036 -2.124 1.00 5.12 C ATOM 1183 CG ARG A 76 -22.087 20.494 -2.553 1.00 51.01 C ATOM 1184 CD ARG A 76 -23.055 21.328 -1.728 1.00 42.12 C ATOM 1185 NE ARG A 76 -22.447 21.807 -0.489 1.00 43.43 N ATOM 1186 CZ ARG A 76 -21.620 22.845 -0.430 1.00 1.03 C ATOM 1187 NH1 ARG A 76 -21.305 23.509 -1.534 1.00 2.13 N ATOM 1188 NH2 ARG A 76 -21.108 23.220 0.735 1.00 34.31 N ATOM 0 H ARG A 76 -22.238 16.584 -2.329 1.00 73.10 H new ATOM 0 HA ARG A 76 -20.807 18.532 -3.764 1.00 62.11 H new ATOM 0 HB2 ARG A 76 -23.058 18.594 -2.402 1.00 5.12 H new ATOM 0 HB3 ARG A 76 -22.029 18.985 -1.038 1.00 5.12 H new ATOM 0 HG2 ARG A 76 -21.079 20.895 -2.448 1.00 51.01 H new ATOM 0 HG3 ARG A 76 -22.351 20.566 -3.608 1.00 51.01 H new ATOM 0 HD2 ARG A 76 -23.394 22.179 -2.318 1.00 42.12 H new ATOM 0 HD3 ARG A 76 -23.937 20.732 -1.492 1.00 42.12 H new ATOM 0 HE ARG A 76 -22.670 21.318 0.378 1.00 43.43 H new ATOM 0 HH11 ARG A 76 -21.698 23.223 -2.431 1.00 2.13 H new ATOM 0 HH12 ARG A 76 -20.670 24.306 -1.486 1.00 2.13 H new ATOM 0 HH21 ARG A 76 -21.349 22.711 1.586 1.00 34.31 H new ATOM 0 HH22 ARG A 76 -20.473 24.017 0.780 1.00 34.31 H new ATOM 1202 N SER A 77 -19.686 17.990 -0.692 1.00 31.34 N ATOM 1203 CA SER A 77 -18.519 18.139 0.169 1.00 10.40 C ATOM 1204 C SER A 77 -17.272 17.571 -0.503 1.00 60.44 C ATOM 1205 O SER A 77 -16.189 18.153 -0.423 1.00 2.22 O ATOM 1206 CB SER A 77 -18.754 17.437 1.509 1.00 53.24 C ATOM 1207 OG SER A 77 -19.750 16.436 1.392 1.00 21.40 O ATOM 0 H SER A 77 -20.483 17.536 -0.246 1.00 31.34 H new ATOM 0 HA SER A 77 -18.363 19.203 0.346 1.00 10.40 H new ATOM 0 HB2 SER A 77 -17.823 16.989 1.857 1.00 53.24 H new ATOM 0 HB3 SER A 77 -19.055 18.169 2.259 1.00 53.24 H new ATOM 0 HG SER A 77 -19.540 15.853 0.633 1.00 21.40 H new ATOM 1213 N LEU A 78 -17.433 16.432 -1.167 1.00 12.11 N ATOM 1214 CA LEU A 78 -16.322 15.784 -1.855 1.00 10.34 C ATOM 1215 C LEU A 78 -15.658 16.741 -2.839 1.00 41.45 C ATOM 1216 O LEU A 78 -14.458 17.006 -2.750 1.00 64.11 O ATOM 1217 CB LEU A 78 -16.810 14.534 -2.590 1.00 73.44 C ATOM 1218 CG LEU A 78 -16.469 13.195 -1.937 1.00 42.14 C ATOM 1219 CD1 LEU A 78 -14.966 13.058 -1.753 1.00 31.04 C ATOM 1220 CD2 LEU A 78 -17.187 13.054 -0.603 1.00 44.33 C ATOM 0 H LEU A 78 -18.322 15.938 -1.244 1.00 12.11 H new ATOM 0 HA LEU A 78 -15.584 15.493 -1.107 1.00 10.34 H new ATOM 0 HB2 LEU A 78 -17.893 14.599 -2.695 1.00 73.44 H new ATOM 0 HB3 LEU A 78 -16.391 14.542 -3.596 1.00 73.44 H new ATOM 0 HG LEU A 78 -16.808 12.395 -2.595 1.00 42.14 H new ATOM 0 HD11 LEU A 78 -14.742 12.098 -1.287 1.00 31.04 H new ATOM 0 HD12 LEU A 78 -14.474 13.113 -2.724 1.00 31.04 H new ATOM 0 HD13 LEU A 78 -14.602 13.864 -1.116 1.00 31.04 H new ATOM 0 HD21 LEU A 78 -16.932 12.095 -0.152 1.00 44.33 H new ATOM 0 HD22 LEU A 78 -16.880 13.861 0.063 1.00 44.33 H new ATOM 0 HD23 LEU A 78 -18.264 13.106 -0.762 1.00 44.33 H new ATOM 1232 N TYR A 79 -16.445 17.258 -3.777 1.00 11.14 N ATOM 1233 CA TYR A 79 -15.933 18.185 -4.778 1.00 24.42 C ATOM 1234 C TYR A 79 -15.136 19.309 -4.123 1.00 52.20 C ATOM 1235 O TYR A 79 -14.089 19.715 -4.624 1.00 34.21 O ATOM 1236 CB TYR A 79 -17.086 18.772 -5.595 1.00 31.53 C ATOM 1237 CG TYR A 79 -16.692 19.168 -7.000 1.00 51.35 C ATOM 1238 CD1 TYR A 79 -16.115 18.246 -7.866 1.00 60.15 C ATOM 1239 CD2 TYR A 79 -16.895 20.461 -7.462 1.00 20.31 C ATOM 1240 CE1 TYR A 79 -15.753 18.602 -9.151 1.00 44.30 C ATOM 1241 CE2 TYR A 79 -16.537 20.826 -8.746 1.00 31.40 C ATOM 1242 CZ TYR A 79 -15.966 19.893 -9.586 1.00 64.22 C ATOM 1243 OH TYR A 79 -15.607 20.253 -10.865 1.00 21.12 O ATOM 0 H TYR A 79 -17.440 17.050 -3.864 1.00 11.14 H new ATOM 0 HA TYR A 79 -15.268 17.633 -5.442 1.00 24.42 H new ATOM 0 HB2 TYR A 79 -17.893 18.041 -5.645 1.00 31.53 H new ATOM 0 HB3 TYR A 79 -17.479 19.647 -5.077 1.00 31.53 H new ATOM 0 HD1 TYR A 79 -15.947 17.234 -7.528 1.00 60.15 H new ATOM 0 HD2 TYR A 79 -17.341 21.195 -6.807 1.00 20.31 H new ATOM 0 HE1 TYR A 79 -15.306 17.873 -9.811 1.00 44.30 H new ATOM 0 HE2 TYR A 79 -16.703 21.836 -9.090 1.00 31.40 H new ATOM 0 HH TYR A 79 -15.825 21.197 -11.013 1.00 21.12 H new ATOM 1253 N ASN A 80 -15.641 19.807 -2.998 1.00 40.04 N ATOM 1254 CA ASN A 80 -14.976 20.884 -2.273 1.00 45.51 C ATOM 1255 C ASN A 80 -13.585 20.455 -1.818 1.00 51.35 C ATOM 1256 O ASN A 80 -12.578 21.022 -2.244 1.00 31.10 O ATOM 1257 CB ASN A 80 -15.814 21.304 -1.063 1.00 42.34 C ATOM 1258 CG ASN A 80 -16.446 22.671 -1.245 1.00 12.25 C ATOM 1259 OD1 ASN A 80 -16.327 23.541 -0.382 1.00 13.03 O ATOM 1260 ND2 ASN A 80 -17.122 22.866 -2.370 1.00 50.14 N ATOM 0 H ASN A 80 -16.508 19.482 -2.569 1.00 40.04 H new ATOM 0 HA ASN A 80 -14.872 21.734 -2.948 1.00 45.51 H new ATOM 0 HB2 ASN A 80 -16.596 20.565 -0.892 1.00 42.34 H new ATOM 0 HB3 ASN A 80 -15.184 21.313 -0.174 1.00 42.34 H new ATOM 0 HD21 ASN A 80 -17.569 23.766 -2.547 1.00 50.14 H new ATOM 0 HD22 ASN A 80 -17.195 22.116 -3.058 1.00 50.14 H new ATOM 1267 N THR A 81 -13.536 19.449 -0.950 1.00 55.00 N ATOM 1268 CA THR A 81 -12.268 18.944 -0.437 1.00 24.23 C ATOM 1269 C THR A 81 -11.328 18.560 -1.574 1.00 43.22 C ATOM 1270 O THR A 81 -10.204 19.054 -1.656 1.00 20.23 O ATOM 1271 CB THR A 81 -12.479 17.722 0.476 1.00 15.10 C ATOM 1272 OG1 THR A 81 -13.494 18.003 1.446 1.00 32.51 O ATOM 1273 CG2 THR A 81 -11.185 17.345 1.182 1.00 22.12 C ATOM 0 H THR A 81 -14.359 18.968 -0.588 1.00 55.00 H new ATOM 0 HA THR A 81 -11.819 19.749 0.144 1.00 24.23 H new ATOM 0 HB THR A 81 -12.794 16.883 -0.144 1.00 15.10 H new ATOM 0 HG1 THR A 81 -13.173 17.753 2.337 1.00 32.51 H new ATOM 0 HG21 THR A 81 -11.358 16.479 1.821 1.00 22.12 H new ATOM 0 HG22 THR A 81 -10.424 17.102 0.441 1.00 22.12 H new ATOM 0 HG23 THR A 81 -10.845 18.183 1.790 1.00 22.12 H new ATOM 1281 N ILE A 82 -11.796 17.676 -2.448 1.00 42.33 N ATOM 1282 CA ILE A 82 -10.997 17.227 -3.582 1.00 4.22 C ATOM 1283 C ILE A 82 -10.425 18.410 -4.354 1.00 34.42 C ATOM 1284 O ILE A 82 -9.260 18.400 -4.750 1.00 61.23 O ATOM 1285 CB ILE A 82 -11.825 16.352 -4.542 1.00 72.20 C ATOM 1286 CG1 ILE A 82 -12.386 15.136 -3.805 1.00 1.24 C ATOM 1287 CG2 ILE A 82 -10.974 15.915 -5.726 1.00 25.11 C ATOM 1288 CD1 ILE A 82 -13.508 14.443 -4.547 1.00 34.15 C ATOM 0 H ILE A 82 -12.724 17.256 -2.393 1.00 42.33 H new ATOM 0 HA ILE A 82 -10.179 16.632 -3.176 1.00 4.22 H new ATOM 0 HB ILE A 82 -12.661 16.942 -4.917 1.00 72.20 H new ATOM 0 HG12 ILE A 82 -11.580 14.422 -3.633 1.00 1.24 H new ATOM 0 HG13 ILE A 82 -12.748 15.450 -2.826 1.00 1.24 H new ATOM 0 HG21 ILE A 82 -11.572 15.297 -6.396 1.00 25.11 H new ATOM 0 HG22 ILE A 82 -10.619 16.794 -6.263 1.00 25.11 H new ATOM 0 HG23 ILE A 82 -10.120 15.340 -5.368 1.00 25.11 H new ATOM 0 HD11 ILE A 82 -13.857 13.590 -3.965 1.00 34.15 H new ATOM 0 HD12 ILE A 82 -14.331 15.141 -4.696 1.00 34.15 H new ATOM 0 HD13 ILE A 82 -13.145 14.098 -5.515 1.00 34.15 H new ATOM 1300 N ALA A 83 -11.252 19.429 -4.562 1.00 55.23 N ATOM 1301 CA ALA A 83 -10.827 20.623 -5.284 1.00 4.22 C ATOM 1302 C ALA A 83 -9.580 21.231 -4.652 1.00 21.24 C ATOM 1303 O ALA A 83 -8.666 21.667 -5.352 1.00 54.15 O ATOM 1304 CB ALA A 83 -11.953 21.645 -5.323 1.00 40.01 C ATOM 0 H ALA A 83 -12.220 19.452 -4.241 1.00 55.23 H new ATOM 0 HA ALA A 83 -10.580 20.332 -6.305 1.00 4.22 H new ATOM 0 HB1 ALA A 83 -11.622 22.531 -5.865 1.00 40.01 H new ATOM 0 HB2 ALA A 83 -12.818 21.214 -5.827 1.00 40.01 H new ATOM 0 HB3 ALA A 83 -12.227 21.923 -4.305 1.00 40.01 H new ATOM 1310 N VAL A 84 -9.548 21.258 -3.324 1.00 23.24 N ATOM 1311 CA VAL A 84 -8.412 21.814 -2.597 1.00 52.04 C ATOM 1312 C VAL A 84 -7.214 20.872 -2.648 1.00 40.14 C ATOM 1313 O VAL A 84 -6.096 21.289 -2.953 1.00 42.15 O ATOM 1314 CB VAL A 84 -8.770 22.093 -1.125 1.00 51.21 C ATOM 1315 CG1 VAL A 84 -7.646 22.854 -0.437 1.00 51.43 C ATOM 1316 CG2 VAL A 84 -10.080 22.860 -1.031 1.00 51.35 C ATOM 0 H VAL A 84 -10.296 20.901 -2.729 1.00 23.24 H new ATOM 0 HA VAL A 84 -8.153 22.754 -3.084 1.00 52.04 H new ATOM 0 HB VAL A 84 -8.897 21.139 -0.613 1.00 51.21 H new ATOM 0 HG11 VAL A 84 -7.917 23.042 0.602 1.00 51.43 H new ATOM 0 HG12 VAL A 84 -6.731 22.262 -0.472 1.00 51.43 H new ATOM 0 HG13 VAL A 84 -7.484 23.803 -0.947 1.00 51.43 H new ATOM 0 HG21 VAL A 84 -10.317 23.048 0.016 1.00 51.35 H new ATOM 0 HG22 VAL A 84 -9.984 23.809 -1.558 1.00 51.35 H new ATOM 0 HG23 VAL A 84 -10.879 22.273 -1.484 1.00 51.35 H new ATOM 1326 N LEU A 85 -7.455 19.601 -2.348 1.00 12.42 N ATOM 1327 CA LEU A 85 -6.395 18.599 -2.359 1.00 53.42 C ATOM 1328 C LEU A 85 -5.724 18.532 -3.727 1.00 40.45 C ATOM 1329 O LEU A 85 -4.522 18.763 -3.854 1.00 34.14 O ATOM 1330 CB LEU A 85 -6.960 17.226 -1.988 1.00 0.13 C ATOM 1331 CG LEU A 85 -5.933 16.155 -1.619 1.00 32.31 C ATOM 1332 CD1 LEU A 85 -5.910 15.934 -0.114 1.00 74.13 C ATOM 1333 CD2 LEU A 85 -6.235 14.853 -2.347 1.00 74.43 C ATOM 0 H LEU A 85 -8.374 19.240 -2.094 1.00 12.42 H new ATOM 0 HA LEU A 85 -5.647 18.889 -1.621 1.00 53.42 H new ATOM 0 HB2 LEU A 85 -7.643 17.351 -1.147 1.00 0.13 H new ATOM 0 HB3 LEU A 85 -7.552 16.860 -2.827 1.00 0.13 H new ATOM 0 HG LEU A 85 -4.947 16.501 -1.930 1.00 32.31 H new ATOM 0 HD11 LEU A 85 -5.173 15.169 0.130 1.00 74.13 H new ATOM 0 HD12 LEU A 85 -5.645 16.865 0.386 1.00 74.13 H new ATOM 0 HD13 LEU A 85 -6.895 15.610 0.221 1.00 74.13 H new ATOM 0 HD21 LEU A 85 -5.494 14.102 -2.072 1.00 74.43 H new ATOM 0 HD22 LEU A 85 -7.228 14.502 -2.067 1.00 74.43 H new ATOM 0 HD23 LEU A 85 -6.199 15.021 -3.423 1.00 74.43 H new ATOM 1345 N TYR A 86 -6.510 18.214 -4.751 1.00 31.22 N ATOM 1346 CA TYR A 86 -5.993 18.117 -6.111 1.00 34.43 C ATOM 1347 C TYR A 86 -5.063 19.285 -6.425 1.00 21.15 C ATOM 1348 O TYR A 86 -3.976 19.098 -6.974 1.00 52.21 O ATOM 1349 CB TYR A 86 -7.144 18.083 -7.117 1.00 23.34 C ATOM 1350 CG TYR A 86 -6.699 18.241 -8.553 1.00 24.35 C ATOM 1351 CD1 TYR A 86 -6.269 17.147 -9.292 1.00 51.30 C ATOM 1352 CD2 TYR A 86 -6.711 19.486 -9.170 1.00 61.51 C ATOM 1353 CE1 TYR A 86 -5.860 17.288 -10.605 1.00 4.35 C ATOM 1354 CE2 TYR A 86 -6.306 19.636 -10.482 1.00 53.43 C ATOM 1355 CZ TYR A 86 -5.881 18.534 -11.195 1.00 71.33 C ATOM 1356 OH TYR A 86 -5.477 18.677 -12.503 1.00 22.51 O ATOM 0 H TYR A 86 -7.507 18.019 -4.664 1.00 31.22 H new ATOM 0 HA TYR A 86 -5.424 17.191 -6.190 1.00 34.43 H new ATOM 0 HB2 TYR A 86 -7.678 17.139 -7.013 1.00 23.34 H new ATOM 0 HB3 TYR A 86 -7.850 18.877 -6.875 1.00 23.34 H new ATOM 0 HD1 TYR A 86 -6.254 16.169 -8.833 1.00 51.30 H new ATOM 0 HD2 TYR A 86 -7.043 20.351 -8.614 1.00 61.51 H new ATOM 0 HE1 TYR A 86 -5.526 16.427 -11.165 1.00 4.35 H new ATOM 0 HE2 TYR A 86 -6.322 20.611 -10.947 1.00 53.43 H new ATOM 0 HH TYR A 86 -5.553 19.617 -12.768 1.00 22.51 H new ATOM 1366 N CYS A 87 -5.497 20.490 -6.072 1.00 41.41 N ATOM 1367 CA CYS A 87 -4.705 21.690 -6.316 1.00 23.42 C ATOM 1368 C CYS A 87 -3.349 21.597 -5.624 1.00 64.15 C ATOM 1369 O CYS A 87 -2.312 21.867 -6.229 1.00 71.23 O ATOM 1370 CB CYS A 87 -5.457 22.929 -5.828 1.00 31.44 C ATOM 1371 SG CYS A 87 -6.675 23.565 -7.003 1.00 72.15 S ATOM 0 H CYS A 87 -6.393 20.662 -5.616 1.00 41.41 H new ATOM 0 HA CYS A 87 -4.539 21.774 -7.390 1.00 23.42 H new ATOM 0 HB2 CYS A 87 -5.962 22.689 -4.892 1.00 31.44 H new ATOM 0 HB3 CYS A 87 -4.735 23.716 -5.608 1.00 31.44 H new ATOM 0 HG CYS A 87 -7.841 23.055 -6.738 1.00 72.15 H new ATOM 1377 N VAL A 88 -3.366 21.214 -4.351 1.00 11.01 N ATOM 1378 CA VAL A 88 -2.138 21.085 -3.575 1.00 52.04 C ATOM 1379 C VAL A 88 -1.092 20.276 -4.333 1.00 52.14 C ATOM 1380 O VAL A 88 0.091 20.620 -4.339 1.00 63.33 O ATOM 1381 CB VAL A 88 -2.401 20.417 -2.214 1.00 44.32 C ATOM 1382 CG1 VAL A 88 -1.118 20.332 -1.403 1.00 53.20 C ATOM 1383 CG2 VAL A 88 -3.477 21.172 -1.448 1.00 72.43 C ATOM 0 H VAL A 88 -4.216 20.988 -3.835 1.00 11.01 H new ATOM 0 HA VAL A 88 -1.762 22.094 -3.408 1.00 52.04 H new ATOM 0 HB VAL A 88 -2.758 19.402 -2.391 1.00 44.32 H new ATOM 0 HG11 VAL A 88 -1.325 19.857 -0.444 1.00 53.20 H new ATOM 0 HG12 VAL A 88 -0.381 19.743 -1.949 1.00 53.20 H new ATOM 0 HG13 VAL A 88 -0.727 21.335 -1.234 1.00 53.20 H new ATOM 0 HG21 VAL A 88 -3.650 20.685 -0.488 1.00 72.43 H new ATOM 0 HG22 VAL A 88 -3.152 22.199 -1.281 1.00 72.43 H new ATOM 0 HG23 VAL A 88 -4.401 21.174 -2.025 1.00 72.43 H new ATOM 1393 N HIS A 89 -1.535 19.198 -4.972 1.00 52.51 N ATOM 1394 CA HIS A 89 -0.636 18.337 -5.736 1.00 21.42 C ATOM 1395 C HIS A 89 -0.108 19.064 -6.969 1.00 43.42 C ATOM 1396 O HIS A 89 1.058 18.847 -7.295 1.00 71.15 O ATOM 1397 CB HIS A 89 -1.357 17.055 -6.154 1.00 63.01 C ATOM 1398 CG HIS A 89 -1.631 16.122 -5.014 1.00 74.42 C ATOM 1399 ND1 HIS A 89 -0.716 15.866 -4.015 1.00 52.44 N ATOM 1400 CD2 HIS A 89 -2.727 15.385 -4.718 1.00 14.14 C ATOM 1401 CE1 HIS A 89 -1.236 15.009 -3.155 1.00 24.12 C ATOM 1402 NE2 HIS A 89 -2.457 14.703 -3.558 1.00 71.21 N ATOM 0 H HIS A 89 -2.510 18.899 -4.977 1.00 52.51 H new ATOM 0 HA HIS A 89 0.209 18.077 -5.099 1.00 21.42 H new ATOM 0 HB2 HIS A 89 -2.301 17.318 -6.632 1.00 63.01 H new ATOM 0 HB3 HIS A 89 -0.755 16.536 -6.900 1.00 63.01 H new ATOM 0 HD1 HIS A 89 0.216 16.274 -3.950 1.00 52.44 H new ATOM 0 HD2 HIS A 89 -3.643 15.342 -5.288 1.00 14.14 H new ATOM 0 HE1 HIS A 89 -0.747 14.624 -2.273 1.00 24.12 H new ATOM 1411 N GLN A 90 -0.906 19.890 -7.638 1.00 42.43 N ATOM 1412 CA GLN A 90 -0.446 20.604 -8.822 1.00 73.33 C ATOM 1413 C GLN A 90 0.396 21.816 -8.434 1.00 61.23 C ATOM 1414 O GLN A 90 0.585 22.734 -9.232 1.00 2.33 O ATOM 1415 CB GLN A 90 -1.637 21.048 -9.673 1.00 23.24 C ATOM 1416 CG GLN A 90 -1.685 20.393 -11.043 1.00 43.12 C ATOM 1417 CD GLN A 90 -0.692 21.000 -12.015 1.00 2.22 C ATOM 1418 OE1 GLN A 90 0.470 20.597 -12.065 1.00 55.13 O ATOM 1419 NE2 GLN A 90 -1.146 21.975 -12.794 1.00 10.42 N ATOM 0 H GLN A 90 -1.874 20.081 -7.380 1.00 42.43 H new ATOM 0 HA GLN A 90 0.174 19.924 -9.406 1.00 73.33 H new ATOM 0 HB2 GLN A 90 -2.559 20.821 -9.139 1.00 23.24 H new ATOM 0 HB3 GLN A 90 -1.600 22.130 -9.798 1.00 23.24 H new ATOM 0 HG2 GLN A 90 -1.481 19.327 -10.939 1.00 43.12 H new ATOM 0 HG3 GLN A 90 -2.691 20.487 -11.451 1.00 43.12 H new ATOM 0 HE21 GLN A 90 -2.117 22.278 -12.719 1.00 10.42 H new ATOM 0 HE22 GLN A 90 -0.524 22.421 -13.468 1.00 10.42 H new ATOM 1428 N ARG A 91 0.899 21.810 -7.204 1.00 21.43 N ATOM 1429 CA ARG A 91 1.719 22.910 -6.710 1.00 14.00 C ATOM 1430 C ARG A 91 0.865 24.141 -6.424 1.00 5.42 C ATOM 1431 O ARG A 91 1.387 25.217 -6.130 1.00 64.24 O ATOM 1432 CB ARG A 91 2.810 23.257 -7.726 1.00 23.44 C ATOM 1433 CG ARG A 91 2.568 24.572 -8.451 1.00 2.50 C ATOM 1434 CD ARG A 91 3.346 24.637 -9.756 1.00 52.13 C ATOM 1435 NE ARG A 91 4.730 25.052 -9.549 1.00 11.23 N ATOM 1436 CZ ARG A 91 5.100 26.314 -9.362 1.00 63.21 C ATOM 1437 NH1 ARG A 91 4.192 27.280 -9.358 1.00 50.15 N ATOM 1438 NH2 ARG A 91 6.380 26.613 -9.180 1.00 4.31 N ATOM 0 H ARG A 91 0.753 21.057 -6.532 1.00 21.43 H new ATOM 0 HA ARG A 91 2.187 22.591 -5.779 1.00 14.00 H new ATOM 0 HB2 ARG A 91 3.771 23.305 -7.213 1.00 23.44 H new ATOM 0 HB3 ARG A 91 2.880 22.454 -8.460 1.00 23.44 H new ATOM 0 HG2 ARG A 91 1.503 24.687 -8.654 1.00 2.50 H new ATOM 0 HG3 ARG A 91 2.861 25.403 -7.809 1.00 2.50 H new ATOM 0 HD2 ARG A 91 3.329 23.659 -10.237 1.00 52.13 H new ATOM 0 HD3 ARG A 91 2.856 25.335 -10.435 1.00 52.13 H new ATOM 0 HE ARG A 91 5.453 24.333 -9.548 1.00 11.23 H new ATOM 0 HH11 ARG A 91 3.207 27.055 -9.499 1.00 50.15 H new ATOM 0 HH12 ARG A 91 4.478 28.248 -9.214 1.00 50.15 H new ATOM 0 HH21 ARG A 91 7.082 25.873 -9.184 1.00 4.31 H new ATOM 0 HH22 ARG A 91 6.662 27.583 -9.037 1.00 4.31 H new ATOM 1452 N ILE A 92 -0.451 23.974 -6.510 1.00 52.43 N ATOM 1453 CA ILE A 92 -1.377 25.071 -6.260 1.00 42.55 C ATOM 1454 C ILE A 92 -1.684 25.202 -4.773 1.00 23.43 C ATOM 1455 O ILE A 92 -1.985 24.216 -4.100 1.00 52.10 O ATOM 1456 CB ILE A 92 -2.698 24.879 -7.030 1.00 74.12 C ATOM 1457 CG1 ILE A 92 -2.443 24.911 -8.538 1.00 61.24 C ATOM 1458 CG2 ILE A 92 -3.702 25.951 -6.634 1.00 72.45 C ATOM 1459 CD1 ILE A 92 -3.379 24.023 -9.328 1.00 73.24 C ATOM 0 H ILE A 92 -0.899 23.090 -6.751 1.00 52.43 H new ATOM 0 HA ILE A 92 -0.890 25.981 -6.610 1.00 42.55 H new ATOM 0 HB ILE A 92 -3.115 23.906 -6.771 1.00 74.12 H new ATOM 0 HG12 ILE A 92 -2.542 25.937 -8.893 1.00 61.24 H new ATOM 0 HG13 ILE A 92 -1.415 24.604 -8.731 1.00 61.24 H new ATOM 0 HG21 ILE A 92 -4.630 25.802 -7.186 1.00 72.45 H new ATOM 0 HG22 ILE A 92 -3.902 25.885 -5.564 1.00 72.45 H new ATOM 0 HG23 ILE A 92 -3.295 26.935 -6.867 1.00 72.45 H new ATOM 0 HD11 ILE A 92 -3.140 24.096 -10.389 1.00 73.24 H new ATOM 0 HD12 ILE A 92 -3.264 22.990 -9.000 1.00 73.24 H new ATOM 0 HD13 ILE A 92 -4.408 24.343 -9.165 1.00 73.24 H new ATOM 1471 N ASP A 93 -1.609 26.428 -4.265 1.00 54.01 N ATOM 1472 CA ASP A 93 -1.881 26.690 -2.856 1.00 71.44 C ATOM 1473 C ASP A 93 -3.075 27.628 -2.700 1.00 33.23 C ATOM 1474 O ASP A 93 -2.982 28.661 -2.036 1.00 60.43 O ATOM 1475 CB ASP A 93 -0.649 27.295 -2.181 1.00 1.35 C ATOM 1476 CG ASP A 93 0.602 26.469 -2.412 1.00 64.40 C ATOM 1477 OD1 ASP A 93 0.472 25.253 -2.665 1.00 54.04 O ATOM 1478 OD2 ASP A 93 1.710 27.041 -2.342 1.00 41.43 O ATOM 0 H ASP A 93 -1.362 27.256 -4.808 1.00 54.01 H new ATOM 0 HA ASP A 93 -2.120 25.742 -2.374 1.00 71.44 H new ATOM 0 HB2 ASP A 93 -0.490 28.304 -2.560 1.00 1.35 H new ATOM 0 HB3 ASP A 93 -0.831 27.382 -1.110 1.00 1.35 H new ATOM 1483 N VAL A 94 -4.194 27.260 -3.314 1.00 63.21 N ATOM 1484 CA VAL A 94 -5.406 28.068 -3.243 1.00 73.30 C ATOM 1485 C VAL A 94 -5.548 28.727 -1.875 1.00 74.33 C ATOM 1486 O VAL A 94 -5.371 28.082 -0.841 1.00 41.42 O ATOM 1487 CB VAL A 94 -6.661 27.223 -3.525 1.00 62.13 C ATOM 1488 CG1 VAL A 94 -6.742 26.864 -5.002 1.00 4.54 C ATOM 1489 CG2 VAL A 94 -6.666 25.970 -2.663 1.00 32.45 C ATOM 0 H VAL A 94 -4.287 26.408 -3.866 1.00 63.21 H new ATOM 0 HA VAL A 94 -5.317 28.840 -4.008 1.00 73.30 H new ATOM 0 HB VAL A 94 -7.540 27.815 -3.270 1.00 62.13 H new ATOM 0 HG11 VAL A 94 -7.636 26.267 -5.183 1.00 4.54 H new ATOM 0 HG12 VAL A 94 -6.789 27.777 -5.596 1.00 4.54 H new ATOM 0 HG13 VAL A 94 -5.859 26.291 -5.286 1.00 4.54 H new ATOM 0 HG21 VAL A 94 -7.561 25.385 -2.876 1.00 32.45 H new ATOM 0 HG22 VAL A 94 -5.781 25.373 -2.884 1.00 32.45 H new ATOM 0 HG23 VAL A 94 -6.660 26.253 -1.610 1.00 32.45 H new ATOM 1499 N LYS A 95 -5.867 30.016 -1.876 1.00 34.24 N ATOM 1500 CA LYS A 95 -6.034 30.764 -0.636 1.00 24.23 C ATOM 1501 C LYS A 95 -7.091 30.115 0.252 1.00 22.42 C ATOM 1502 O LYS A 95 -6.955 30.087 1.476 1.00 63.24 O ATOM 1503 CB LYS A 95 -6.427 32.213 -0.938 1.00 52.31 C ATOM 1504 CG LYS A 95 -5.779 33.225 -0.010 1.00 75.32 C ATOM 1505 CD LYS A 95 -6.551 34.533 0.016 1.00 51.24 C ATOM 1506 CE LYS A 95 -7.133 34.810 1.393 1.00 44.21 C ATOM 1507 NZ LYS A 95 -8.525 34.295 1.520 1.00 71.33 N ATOM 0 H LYS A 95 -6.015 30.565 -2.723 1.00 34.24 H new ATOM 0 HA LYS A 95 -5.082 30.755 -0.105 1.00 24.23 H new ATOM 0 HB2 LYS A 95 -6.153 32.448 -1.966 1.00 52.31 H new ATOM 0 HB3 LYS A 95 -7.510 32.309 -0.867 1.00 52.31 H new ATOM 0 HG2 LYS A 95 -5.725 32.813 0.998 1.00 75.32 H new ATOM 0 HG3 LYS A 95 -4.755 33.412 -0.333 1.00 75.32 H new ATOM 0 HD2 LYS A 95 -5.892 35.352 -0.273 1.00 51.24 H new ATOM 0 HD3 LYS A 95 -7.355 34.497 -0.719 1.00 51.24 H new ATOM 0 HE2 LYS A 95 -6.504 34.347 2.153 1.00 44.21 H new ATOM 0 HE3 LYS A 95 -7.124 35.883 1.582 1.00 44.21 H new ATOM 0 HZ1 LYS A 95 -8.686 33.967 2.494 1.00 71.33 H new ATOM 0 HZ2 LYS A 95 -9.198 35.055 1.295 1.00 71.33 H new ATOM 0 HZ3 LYS A 95 -8.664 33.503 0.860 1.00 71.33 H new ATOM 1521 N ASP A 96 -8.143 29.595 -0.371 1.00 11.41 N ATOM 1522 CA ASP A 96 -9.222 28.943 0.364 1.00 74.44 C ATOM 1523 C ASP A 96 -9.960 27.948 -0.527 1.00 22.53 C ATOM 1524 O ASP A 96 -9.693 27.851 -1.724 1.00 71.24 O ATOM 1525 CB ASP A 96 -10.200 29.986 0.906 1.00 32.14 C ATOM 1526 CG ASP A 96 -10.395 31.149 -0.048 1.00 4.41 C ATOM 1527 OD1 ASP A 96 -10.851 30.912 -1.187 1.00 15.35 O ATOM 1528 OD2 ASP A 96 -10.093 32.295 0.345 1.00 41.43 O ATOM 0 H ASP A 96 -8.272 29.612 -1.383 1.00 11.41 H new ATOM 0 HA ASP A 96 -8.784 28.399 1.201 1.00 74.44 H new ATOM 0 HB2 ASP A 96 -11.163 29.512 1.098 1.00 32.14 H new ATOM 0 HB3 ASP A 96 -9.834 30.361 1.862 1.00 32.14 H new ATOM 1533 N THR A 97 -10.893 27.209 0.068 1.00 34.44 N ATOM 1534 CA THR A 97 -11.668 26.221 -0.669 1.00 64.12 C ATOM 1535 C THR A 97 -12.485 26.878 -1.776 1.00 3.50 C ATOM 1536 O THR A 97 -12.976 26.204 -2.683 1.00 45.50 O ATOM 1537 CB THR A 97 -12.618 25.444 0.263 1.00 52.03 C ATOM 1538 OG1 THR A 97 -11.899 24.961 1.402 1.00 24.44 O ATOM 1539 CG2 THR A 97 -13.260 24.276 -0.471 1.00 73.00 C ATOM 0 H THR A 97 -11.129 27.277 1.058 1.00 34.44 H new ATOM 0 HA THR A 97 -10.955 25.525 -1.111 1.00 64.12 H new ATOM 0 HB THR A 97 -13.405 26.123 0.592 1.00 52.03 H new ATOM 0 HG1 THR A 97 -11.528 25.719 1.900 1.00 24.44 H new ATOM 0 HG21 THR A 97 -13.926 23.742 0.207 1.00 73.00 H new ATOM 0 HG22 THR A 97 -13.831 24.650 -1.321 1.00 73.00 H new ATOM 0 HG23 THR A 97 -12.484 23.598 -0.825 1.00 73.00 H new ATOM 1547 N LYS A 98 -12.627 28.196 -1.699 1.00 12.23 N ATOM 1548 CA LYS A 98 -13.382 28.945 -2.695 1.00 5.11 C ATOM 1549 C LYS A 98 -12.571 29.121 -3.974 1.00 11.10 C ATOM 1550 O LYS A 98 -13.028 28.773 -5.062 1.00 12.51 O ATOM 1551 CB LYS A 98 -13.782 30.313 -2.140 1.00 31.44 C ATOM 1552 CG LYS A 98 -14.893 30.989 -2.925 1.00 42.23 C ATOM 1553 CD LYS A 98 -16.240 30.335 -2.661 1.00 74.23 C ATOM 1554 CE LYS A 98 -16.895 30.894 -1.408 1.00 52.24 C ATOM 1555 NZ LYS A 98 -17.774 29.890 -0.747 1.00 34.03 N ATOM 0 H LYS A 98 -12.228 28.769 -0.955 1.00 12.23 H new ATOM 0 HA LYS A 98 -14.283 28.379 -2.932 1.00 5.11 H new ATOM 0 HB2 LYS A 98 -14.100 30.196 -1.104 1.00 31.44 H new ATOM 0 HB3 LYS A 98 -12.907 30.963 -2.133 1.00 31.44 H new ATOM 0 HG2 LYS A 98 -14.941 32.044 -2.655 1.00 42.23 H new ATOM 0 HG3 LYS A 98 -14.667 30.942 -3.990 1.00 42.23 H new ATOM 0 HD2 LYS A 98 -16.896 30.493 -3.517 1.00 74.23 H new ATOM 0 HD3 LYS A 98 -16.108 29.258 -2.554 1.00 74.23 H new ATOM 0 HE2 LYS A 98 -16.124 31.218 -0.709 1.00 52.24 H new ATOM 0 HE3 LYS A 98 -17.481 31.776 -1.667 1.00 52.24 H new ATOM 0 HZ1 LYS A 98 -18.202 30.309 0.103 1.00 34.03 H new ATOM 0 HZ2 LYS A 98 -18.525 29.599 -1.405 1.00 34.03 H new ATOM 0 HZ3 LYS A 98 -17.210 29.059 -0.477 1.00 34.03 H new ATOM 1569 N GLU A 99 -11.366 29.663 -3.835 1.00 75.43 N ATOM 1570 CA GLU A 99 -10.491 29.884 -4.981 1.00 14.03 C ATOM 1571 C GLU A 99 -10.135 28.562 -5.657 1.00 32.54 C ATOM 1572 O GLU A 99 -9.685 28.540 -6.801 1.00 70.35 O ATOM 1573 CB GLU A 99 -9.215 30.606 -4.544 1.00 75.33 C ATOM 1574 CG GLU A 99 -8.675 31.572 -5.586 1.00 50.14 C ATOM 1575 CD GLU A 99 -7.670 32.550 -5.011 1.00 11.44 C ATOM 1576 OE1 GLU A 99 -6.536 32.126 -4.705 1.00 41.21 O ATOM 1577 OE2 GLU A 99 -8.018 33.740 -4.864 1.00 72.43 O ATOM 0 H GLU A 99 -10.973 29.957 -2.941 1.00 75.43 H new ATOM 0 HA GLU A 99 -11.025 30.507 -5.699 1.00 14.03 H new ATOM 0 HB2 GLU A 99 -9.414 31.153 -3.623 1.00 75.33 H new ATOM 0 HB3 GLU A 99 -8.449 29.865 -4.316 1.00 75.33 H new ATOM 0 HG2 GLU A 99 -8.206 31.007 -6.391 1.00 50.14 H new ATOM 0 HG3 GLU A 99 -9.504 32.126 -6.026 1.00 50.14 H new ATOM 1584 N ALA A 100 -10.339 27.464 -4.938 1.00 3.14 N ATOM 1585 CA ALA A 100 -10.042 26.139 -5.467 1.00 10.32 C ATOM 1586 C ALA A 100 -11.056 25.732 -6.531 1.00 60.12 C ATOM 1587 O ALA A 100 -10.718 25.042 -7.494 1.00 63.34 O ATOM 1588 CB ALA A 100 -10.016 25.115 -4.342 1.00 12.02 C ATOM 0 H ALA A 100 -10.709 27.466 -3.987 1.00 3.14 H new ATOM 0 HA ALA A 100 -9.058 26.174 -5.935 1.00 10.32 H new ATOM 0 HB1 ALA A 100 -9.793 24.130 -4.752 1.00 12.02 H new ATOM 0 HB2 ALA A 100 -9.249 25.389 -3.618 1.00 12.02 H new ATOM 0 HB3 ALA A 100 -10.988 25.091 -3.849 1.00 12.02 H new ATOM 1594 N LEU A 101 -12.300 26.162 -6.350 1.00 63.55 N ATOM 1595 CA LEU A 101 -13.365 25.843 -7.295 1.00 53.42 C ATOM 1596 C LEU A 101 -13.249 26.695 -8.555 1.00 40.32 C ATOM 1597 O LEU A 101 -13.678 26.286 -9.635 1.00 24.53 O ATOM 1598 CB LEU A 101 -14.733 26.057 -6.645 1.00 52.22 C ATOM 1599 CG LEU A 101 -15.269 24.893 -5.812 1.00 13.42 C ATOM 1600 CD1 LEU A 101 -16.494 25.322 -5.020 1.00 61.23 C ATOM 1601 CD2 LEU A 101 -15.598 23.705 -6.704 1.00 42.13 C ATOM 0 H LEU A 101 -12.596 26.732 -5.558 1.00 63.55 H new ATOM 0 HA LEU A 101 -13.264 24.795 -7.577 1.00 53.42 H new ATOM 0 HB2 LEU A 101 -14.676 26.939 -6.006 1.00 52.22 H new ATOM 0 HB3 LEU A 101 -15.456 26.279 -7.430 1.00 52.22 H new ATOM 0 HG LEU A 101 -14.494 24.590 -5.108 1.00 13.42 H new ATOM 0 HD11 LEU A 101 -16.861 24.480 -4.433 1.00 61.23 H new ATOM 0 HD12 LEU A 101 -16.227 26.141 -4.352 1.00 61.23 H new ATOM 0 HD13 LEU A 101 -17.273 25.653 -5.706 1.00 61.23 H new ATOM 0 HD21 LEU A 101 -15.978 22.886 -6.094 1.00 42.13 H new ATOM 0 HD22 LEU A 101 -16.354 23.996 -7.433 1.00 42.13 H new ATOM 0 HD23 LEU A 101 -14.697 23.381 -7.225 1.00 42.13 H new ATOM 1613 N ASP A 102 -12.666 27.879 -8.410 1.00 72.54 N ATOM 1614 CA ASP A 102 -12.491 28.789 -9.537 1.00 34.01 C ATOM 1615 C ASP A 102 -11.249 28.421 -10.345 1.00 2.43 C ATOM 1616 O ASP A 102 -11.220 28.579 -11.564 1.00 71.34 O ATOM 1617 CB ASP A 102 -12.382 30.232 -9.043 1.00 24.10 C ATOM 1618 CG ASP A 102 -12.393 31.235 -10.179 1.00 62.32 C ATOM 1619 OD1 ASP A 102 -13.469 31.441 -10.779 1.00 63.21 O ATOM 1620 OD2 ASP A 102 -11.325 31.815 -10.468 1.00 42.25 O ATOM 0 H ASP A 102 -12.306 28.232 -7.523 1.00 72.54 H new ATOM 0 HA ASP A 102 -13.364 28.699 -10.183 1.00 34.01 H new ATOM 0 HB2 ASP A 102 -13.210 30.445 -8.366 1.00 24.10 H new ATOM 0 HB3 ASP A 102 -11.463 30.348 -8.469 1.00 24.10 H new ATOM 1625 N LYS A 103 -10.226 27.929 -9.655 1.00 32.13 N ATOM 1626 CA LYS A 103 -8.981 27.537 -10.307 1.00 2.24 C ATOM 1627 C LYS A 103 -9.171 26.262 -11.122 1.00 24.34 C ATOM 1628 O LYS A 103 -8.607 26.117 -12.206 1.00 33.51 O ATOM 1629 CB LYS A 103 -7.880 27.329 -9.264 1.00 61.41 C ATOM 1630 CG LYS A 103 -6.578 28.034 -9.607 1.00 25.12 C ATOM 1631 CD LYS A 103 -5.841 28.484 -8.356 1.00 42.35 C ATOM 1632 CE LYS A 103 -5.809 30.000 -8.243 1.00 44.40 C ATOM 1633 NZ LYS A 103 -5.121 30.448 -7.002 1.00 31.43 N ATOM 0 H LYS A 103 -10.234 27.792 -8.644 1.00 32.13 H new ATOM 0 HA LYS A 103 -8.686 28.339 -10.984 1.00 2.24 H new ATOM 0 HB2 LYS A 103 -8.234 27.687 -8.297 1.00 61.41 H new ATOM 0 HB3 LYS A 103 -7.689 26.261 -9.158 1.00 61.41 H new ATOM 0 HG2 LYS A 103 -5.941 27.364 -10.184 1.00 25.12 H new ATOM 0 HG3 LYS A 103 -6.786 28.898 -10.238 1.00 25.12 H new ATOM 0 HD2 LYS A 103 -6.326 28.063 -7.475 1.00 42.35 H new ATOM 0 HD3 LYS A 103 -4.822 28.098 -8.374 1.00 42.35 H new ATOM 0 HE2 LYS A 103 -5.300 30.418 -9.112 1.00 44.40 H new ATOM 0 HE3 LYS A 103 -6.828 30.387 -8.253 1.00 44.40 H new ATOM 0 HZ1 LYS A 103 -5.790 30.976 -6.405 1.00 31.43 H new ATOM 0 HZ2 LYS A 103 -4.771 29.619 -6.480 1.00 31.43 H new ATOM 0 HZ3 LYS A 103 -4.320 31.063 -7.252 1.00 31.43 H new ATOM 1647 N ILE A 104 -9.971 25.342 -10.592 1.00 42.35 N ATOM 1648 CA ILE A 104 -10.237 24.080 -11.273 1.00 12.01 C ATOM 1649 C ILE A 104 -10.835 24.317 -12.656 1.00 12.52 C ATOM 1650 O ILE A 104 -10.727 23.470 -13.542 1.00 13.05 O ATOM 1651 CB ILE A 104 -11.195 23.191 -10.458 1.00 33.33 C ATOM 1652 CG1 ILE A 104 -11.026 21.723 -10.854 1.00 20.43 C ATOM 1653 CG2 ILE A 104 -12.635 23.638 -10.661 1.00 62.11 C ATOM 1654 CD1 ILE A 104 -10.329 20.890 -9.802 1.00 32.34 C ATOM 0 H ILE A 104 -10.445 25.446 -9.695 1.00 42.35 H new ATOM 0 HA ILE A 104 -9.279 23.569 -11.376 1.00 12.01 H new ATOM 0 HB ILE A 104 -10.949 23.293 -9.401 1.00 33.33 H new ATOM 0 HG12 ILE A 104 -12.008 21.294 -11.054 1.00 20.43 H new ATOM 0 HG13 ILE A 104 -10.459 21.669 -11.783 1.00 20.43 H new ATOM 0 HG21 ILE A 104 -13.300 23.000 -10.079 1.00 62.11 H new ATOM 0 HG22 ILE A 104 -12.745 24.672 -10.333 1.00 62.11 H new ATOM 0 HG23 ILE A 104 -12.894 23.563 -11.717 1.00 62.11 H new ATOM 0 HD11 ILE A 104 -10.244 19.861 -10.150 1.00 32.34 H new ATOM 0 HD12 ILE A 104 -9.334 21.294 -9.618 1.00 32.34 H new ATOM 0 HD13 ILE A 104 -10.906 20.914 -8.878 1.00 32.34 H new ATOM 1666 N GLU A 105 -11.463 25.475 -12.833 1.00 1.32 N ATOM 1667 CA GLU A 105 -12.078 25.823 -14.109 1.00 33.15 C ATOM 1668 C GLU A 105 -11.076 26.527 -15.020 1.00 4.24 C ATOM 1669 O GLU A 105 -11.097 26.347 -16.238 1.00 11.25 O ATOM 1670 CB GLU A 105 -13.297 26.719 -13.885 1.00 41.20 C ATOM 1671 CG GLU A 105 -14.618 26.036 -14.196 1.00 65.12 C ATOM 1672 CD GLU A 105 -14.929 26.015 -15.680 1.00 25.24 C ATOM 1673 OE1 GLU A 105 -14.714 27.050 -16.345 1.00 42.24 O ATOM 1674 OE2 GLU A 105 -15.390 24.965 -16.175 1.00 55.02 O ATOM 0 H GLU A 105 -11.559 26.188 -12.110 1.00 1.32 H new ATOM 0 HA GLU A 105 -12.399 24.901 -14.593 1.00 33.15 H new ATOM 0 HB2 GLU A 105 -13.306 27.054 -12.848 1.00 41.20 H new ATOM 0 HB3 GLU A 105 -13.202 27.609 -14.507 1.00 41.20 H new ATOM 0 HG2 GLU A 105 -14.591 25.013 -13.820 1.00 65.12 H new ATOM 0 HG3 GLU A 105 -15.421 26.549 -13.668 1.00 65.12 H new ATOM 1681 N GLU A 106 -10.201 27.329 -14.421 1.00 54.41 N ATOM 1682 CA GLU A 106 -9.192 28.060 -15.179 1.00 5.35 C ATOM 1683 C GLU A 106 -8.140 27.110 -15.743 1.00 0.12 C ATOM 1684 O GLU A 106 -7.651 27.300 -16.855 1.00 74.42 O ATOM 1685 CB GLU A 106 -8.523 29.113 -14.294 1.00 72.42 C ATOM 1686 CG GLU A 106 -8.381 30.470 -14.966 1.00 11.14 C ATOM 1687 CD GLU A 106 -7.014 30.670 -15.592 1.00 0.13 C ATOM 1688 OE1 GLU A 106 -6.314 29.662 -15.825 1.00 62.31 O ATOM 1689 OE2 GLU A 106 -6.645 31.835 -15.849 1.00 65.32 O ATOM 0 H GLU A 106 -10.170 27.489 -13.414 1.00 54.41 H new ATOM 0 HA GLU A 106 -9.689 28.558 -16.012 1.00 5.35 H new ATOM 0 HB2 GLU A 106 -9.104 29.229 -13.379 1.00 72.42 H new ATOM 0 HB3 GLU A 106 -7.535 28.756 -14.002 1.00 72.42 H new ATOM 0 HG2 GLU A 106 -9.147 30.573 -15.734 1.00 11.14 H new ATOM 0 HG3 GLU A 106 -8.559 31.256 -14.232 1.00 11.14 H new ATOM 1696 N GLU A 107 -7.798 26.087 -14.966 1.00 30.00 N ATOM 1697 CA GLU A 107 -6.803 25.108 -15.387 1.00 52.14 C ATOM 1698 C GLU A 107 -7.182 24.489 -16.729 1.00 63.45 C ATOM 1699 O GLU A 107 -6.316 24.143 -17.531 1.00 52.10 O ATOM 1700 CB GLU A 107 -6.655 24.011 -14.331 1.00 33.11 C ATOM 1701 CG GLU A 107 -5.398 24.143 -13.488 1.00 21.52 C ATOM 1702 CD GLU A 107 -4.129 24.044 -14.312 1.00 53.34 C ATOM 1703 OE1 GLU A 107 -4.220 23.652 -15.495 1.00 4.04 O ATOM 1704 OE2 GLU A 107 -3.045 24.355 -13.775 1.00 64.11 O ATOM 0 H GLU A 107 -8.195 25.915 -14.042 1.00 30.00 H new ATOM 0 HA GLU A 107 -5.850 25.624 -15.501 1.00 52.14 H new ATOM 0 HB2 GLU A 107 -7.526 24.030 -13.675 1.00 33.11 H new ATOM 0 HB3 GLU A 107 -6.650 23.040 -14.826 1.00 33.11 H new ATOM 0 HG2 GLU A 107 -5.414 25.100 -12.966 1.00 21.52 H new ATOM 0 HG3 GLU A 107 -5.393 23.364 -12.725 1.00 21.52 H new ATOM 1711 N GLN A 108 -8.483 24.354 -16.965 1.00 22.52 N ATOM 1712 CA GLN A 108 -8.978 23.776 -18.209 1.00 62.32 C ATOM 1713 C GLN A 108 -8.711 24.709 -19.386 1.00 50.44 C ATOM 1714 O GLN A 108 -8.448 24.258 -20.500 1.00 72.42 O ATOM 1715 CB GLN A 108 -10.476 23.486 -18.101 1.00 60.41 C ATOM 1716 CG GLN A 108 -10.793 22.172 -17.408 1.00 54.33 C ATOM 1717 CD GLN A 108 -11.532 21.201 -18.309 1.00 52.41 C ATOM 1718 OE1 GLN A 108 -12.717 20.932 -18.110 1.00 4.20 O ATOM 1719 NE2 GLN A 108 -10.835 20.670 -19.306 1.00 40.35 N ATOM 0 H GLN A 108 -9.213 24.637 -16.311 1.00 22.52 H new ATOM 0 HA GLN A 108 -8.447 22.840 -18.383 1.00 62.32 H new ATOM 0 HB2 GLN A 108 -10.957 24.299 -17.557 1.00 60.41 H new ATOM 0 HB3 GLN A 108 -10.908 23.473 -19.102 1.00 60.41 H new ATOM 0 HG2 GLN A 108 -9.865 21.712 -17.068 1.00 54.33 H new ATOM 0 HG3 GLN A 108 -11.395 22.369 -16.521 1.00 54.33 H new ATOM 0 HE21 GLN A 108 -9.855 20.922 -19.434 1.00 40.35 H new ATOM 0 HE22 GLN A 108 -11.280 20.010 -19.945 1.00 40.35 H new ATOM 1728 N ASN A 109 -8.783 26.011 -19.131 1.00 31.35 N ATOM 1729 CA ASN A 109 -8.550 27.008 -20.170 1.00 12.21 C ATOM 1730 C ASN A 109 -7.133 26.896 -20.724 1.00 1.22 C ATOM 1731 O ASN A 109 -6.893 27.148 -21.904 1.00 62.30 O ATOM 1732 CB ASN A 109 -8.786 28.415 -19.618 1.00 54.14 C ATOM 1733 CG ASN A 109 -8.339 29.497 -20.584 1.00 3.42 C ATOM 1734 OD1 ASN A 109 -7.650 30.442 -20.199 1.00 63.22 O ATOM 1735 ND2 ASN A 109 -8.732 29.362 -21.845 1.00 70.35 N ATOM 0 H ASN A 109 -9.001 26.401 -18.214 1.00 31.35 H new ATOM 0 HA ASN A 109 -9.253 26.822 -20.982 1.00 12.21 H new ATOM 0 HB2 ASN A 109 -9.846 28.543 -19.398 1.00 54.14 H new ATOM 0 HB3 ASN A 109 -8.249 28.528 -18.676 1.00 54.14 H new ATOM 0 HD21 ASN A 109 -8.463 30.058 -22.540 1.00 70.35 H new ATOM 0 HD22 ASN A 109 -9.302 28.562 -22.119 1.00 70.35 H new ATOM 1742 N LYS A 110 -6.195 26.517 -19.861 1.00 50.45 N ATOM 1743 CA LYS A 110 -4.801 26.369 -20.262 1.00 70.32 C ATOM 1744 C LYS A 110 -4.676 25.441 -21.465 1.00 53.14 C ATOM 1745 O LYS A 110 -3.999 25.764 -22.442 1.00 45.24 O ATOM 1746 CB LYS A 110 -3.969 25.827 -19.097 1.00 62.02 C ATOM 1747 CG LYS A 110 -2.732 26.655 -18.797 1.00 22.34 C ATOM 1748 CD LYS A 110 -2.059 26.204 -17.511 1.00 73.21 C ATOM 1749 CE LYS A 110 -1.080 25.067 -17.764 1.00 72.24 C ATOM 1750 NZ LYS A 110 -0.515 24.530 -16.495 1.00 72.04 N ATOM 0 H LYS A 110 -6.376 26.307 -18.879 1.00 50.45 H new ATOM 0 HA LYS A 110 -4.424 27.352 -20.544 1.00 70.32 H new ATOM 0 HB2 LYS A 110 -4.593 25.785 -18.204 1.00 62.02 H new ATOM 0 HB3 LYS A 110 -3.666 24.805 -19.323 1.00 62.02 H new ATOM 0 HG2 LYS A 110 -2.028 26.573 -19.625 1.00 22.34 H new ATOM 0 HG3 LYS A 110 -3.007 27.706 -18.715 1.00 22.34 H new ATOM 0 HD2 LYS A 110 -1.533 27.045 -17.060 1.00 73.21 H new ATOM 0 HD3 LYS A 110 -2.816 25.882 -16.796 1.00 73.21 H new ATOM 0 HE2 LYS A 110 -1.585 24.266 -18.304 1.00 72.24 H new ATOM 0 HE3 LYS A 110 -0.270 25.420 -18.402 1.00 72.24 H new ATOM 0 HZ1 LYS A 110 0.147 23.757 -16.709 1.00 72.04 H new ATOM 0 HZ2 LYS A 110 -0.011 25.288 -15.991 1.00 72.04 H new ATOM 0 HZ3 LYS A 110 -1.286 24.169 -15.897 1.00 72.04 H new ATOM 1764 N SER A 111 -5.333 24.289 -21.389 1.00 64.01 N ATOM 1765 CA SER A 111 -5.294 23.312 -22.472 1.00 61.41 C ATOM 1766 C SER A 111 -5.369 24.005 -23.830 1.00 0.41 C ATOM 1767 O SER A 111 -4.607 23.689 -24.745 1.00 10.45 O ATOM 1768 CB SER A 111 -6.446 22.316 -22.331 1.00 51.30 C ATOM 1769 OG SER A 111 -7.449 22.555 -23.302 1.00 51.54 O ATOM 0 H SER A 111 -5.899 24.008 -20.589 1.00 64.01 H new ATOM 0 HA SER A 111 -4.348 22.773 -22.409 1.00 61.41 H new ATOM 0 HB2 SER A 111 -6.067 21.300 -22.438 1.00 51.30 H new ATOM 0 HB3 SER A 111 -6.877 22.392 -21.333 1.00 51.30 H new ATOM 0 HG SER A 111 -8.173 21.904 -23.191 1.00 51.54 H new ATOM 1775 N LYS A 112 -6.293 24.951 -23.955 1.00 24.22 N ATOM 1776 CA LYS A 112 -6.469 25.690 -25.199 1.00 44.33 C ATOM 1777 C LYS A 112 -5.348 26.705 -25.392 1.00 35.43 C ATOM 1778 O LYS A 112 -4.633 26.674 -26.394 1.00 12.23 O ATOM 1779 CB LYS A 112 -7.824 26.403 -25.205 1.00 53.22 C ATOM 1780 CG LYS A 112 -8.897 25.660 -25.983 1.00 62.31 C ATOM 1781 CD LYS A 112 -10.229 25.679 -25.251 1.00 20.02 C ATOM 1782 CE LYS A 112 -11.094 26.848 -25.697 1.00 63.31 C ATOM 1783 NZ LYS A 112 -12.545 26.518 -25.639 1.00 23.04 N ATOM 0 H LYS A 112 -6.932 25.224 -23.209 1.00 24.22 H new ATOM 0 HA LYS A 112 -6.436 24.978 -26.023 1.00 44.33 H new ATOM 0 HB2 LYS A 112 -8.159 26.537 -24.177 1.00 53.22 H new ATOM 0 HB3 LYS A 112 -7.700 27.398 -25.632 1.00 53.22 H new ATOM 0 HG2 LYS A 112 -9.015 26.114 -26.967 1.00 62.31 H new ATOM 0 HG3 LYS A 112 -8.583 24.628 -26.143 1.00 62.31 H new ATOM 0 HD2 LYS A 112 -10.758 24.744 -25.432 1.00 20.02 H new ATOM 0 HD3 LYS A 112 -10.054 25.743 -24.177 1.00 20.02 H new ATOM 0 HE2 LYS A 112 -10.892 27.712 -25.063 1.00 63.31 H new ATOM 0 HE3 LYS A 112 -10.826 27.130 -26.715 1.00 63.31 H new ATOM 0 HZ1 LYS A 112 -13.101 27.340 -25.951 1.00 23.04 H new ATOM 0 HZ2 LYS A 112 -12.742 25.710 -26.263 1.00 23.04 H new ATOM 0 HZ3 LYS A 112 -12.807 26.273 -24.663 1.00 23.04 H new ATOM 1797 N LYS A 113 -5.198 27.605 -24.426 1.00 22.34 N ATOM 1798 CA LYS A 113 -4.161 28.629 -24.487 1.00 22.11 C ATOM 1799 C LYS A 113 -2.872 28.064 -25.074 1.00 12.14 C ATOM 1800 O LYS A 113 -2.200 28.720 -25.869 1.00 15.02 O ATOM 1801 CB LYS A 113 -3.894 29.197 -23.091 1.00 33.11 C ATOM 1802 CG LYS A 113 -3.953 30.713 -23.030 1.00 54.02 C ATOM 1803 CD LYS A 113 -4.497 31.197 -21.696 1.00 52.41 C ATOM 1804 CE LYS A 113 -3.464 32.014 -20.935 1.00 72.02 C ATOM 1805 NZ LYS A 113 -2.515 31.146 -20.183 1.00 52.12 N ATOM 0 H LYS A 113 -5.782 27.646 -23.591 1.00 22.34 H new ATOM 0 HA LYS A 113 -4.514 29.430 -25.137 1.00 22.11 H new ATOM 0 HB2 LYS A 113 -4.624 28.785 -22.395 1.00 33.11 H new ATOM 0 HB3 LYS A 113 -2.911 28.866 -22.755 1.00 33.11 H new ATOM 0 HG2 LYS A 113 -2.956 31.123 -23.188 1.00 54.02 H new ATOM 0 HG3 LYS A 113 -4.583 31.086 -23.838 1.00 54.02 H new ATOM 0 HD2 LYS A 113 -5.389 31.801 -21.863 1.00 52.41 H new ATOM 0 HD3 LYS A 113 -4.801 30.341 -21.094 1.00 52.41 H new ATOM 0 HE2 LYS A 113 -2.908 32.639 -21.634 1.00 72.02 H new ATOM 0 HE3 LYS A 113 -3.971 32.685 -20.241 1.00 72.02 H new ATOM 0 HZ1 LYS A 113 -1.827 31.740 -19.678 1.00 52.12 H new ATOM 0 HZ2 LYS A 113 -3.042 30.568 -19.498 1.00 52.12 H new ATOM 0 HZ3 LYS A 113 -2.013 30.524 -20.848 1.00 52.12 H new ATOM 1819 N LYS A 114 -2.533 26.841 -24.677 1.00 64.13 N ATOM 1820 CA LYS A 114 -1.326 26.186 -25.166 1.00 51.22 C ATOM 1821 C LYS A 114 -1.481 25.779 -26.628 1.00 51.31 C ATOM 1822 O LYS A 114 -0.637 26.100 -27.463 1.00 61.35 O ATOM 1823 CB LYS A 114 -1.010 24.954 -24.314 1.00 0.30 C ATOM 1824 CG LYS A 114 -0.104 25.249 -23.131 1.00 11.10 C ATOM 1825 CD LYS A 114 1.121 24.350 -23.130 1.00 22.44 C ATOM 1826 CE LYS A 114 1.998 24.605 -21.913 1.00 13.02 C ATOM 1827 NZ LYS A 114 3.363 24.034 -22.084 1.00 24.33 N ATOM 0 H LYS A 114 -3.078 26.284 -24.018 1.00 64.13 H new ATOM 0 HA LYS A 114 -0.502 26.895 -25.090 1.00 51.22 H new ATOM 0 HB2 LYS A 114 -1.944 24.526 -23.948 1.00 0.30 H new ATOM 0 HB3 LYS A 114 -0.538 24.199 -24.943 1.00 0.30 H new ATOM 0 HG2 LYS A 114 0.209 26.293 -23.163 1.00 11.10 H new ATOM 0 HG3 LYS A 114 -0.659 25.111 -22.203 1.00 11.10 H new ATOM 0 HD2 LYS A 114 0.808 23.306 -23.142 1.00 22.44 H new ATOM 0 HD3 LYS A 114 1.699 24.520 -24.038 1.00 22.44 H new ATOM 0 HE2 LYS A 114 2.073 25.678 -21.737 1.00 13.02 H new ATOM 0 HE3 LYS A 114 1.530 24.169 -21.030 1.00 13.02 H new ATOM 0 HZ1 LYS A 114 3.930 24.229 -21.234 1.00 24.33 H new ATOM 0 HZ2 LYS A 114 3.294 23.006 -22.226 1.00 24.33 H new ATOM 0 HZ3 LYS A 114 3.820 24.468 -22.911 1.00 24.33 H new ATOM 1841 N ALA A 115 -2.566 25.072 -26.929 1.00 54.51 N ATOM 1842 CA ALA A 115 -2.833 24.625 -28.291 1.00 13.33 C ATOM 1843 C ALA A 115 -3.659 25.654 -29.054 1.00 35.05 C ATOM 1844 O ALA A 115 -4.508 25.298 -29.871 1.00 73.32 O ATOM 1845 CB ALA A 115 -3.545 23.280 -28.274 1.00 74.02 C ATOM 0 H ALA A 115 -3.274 24.797 -26.248 1.00 54.51 H new ATOM 0 HA ALA A 115 -1.878 24.512 -28.805 1.00 13.33 H new ATOM 0 HB1 ALA A 115 -3.738 22.958 -29.297 1.00 74.02 H new ATOM 0 HB2 ALA A 115 -2.917 22.542 -27.774 1.00 74.02 H new ATOM 0 HB3 ALA A 115 -4.490 23.375 -27.739 1.00 74.02 H new ATOM 1851 N GLN A 116 -3.405 26.930 -28.781 1.00 20.01 N ATOM 1852 CA GLN A 116 -4.128 28.010 -29.442 1.00 73.12 C ATOM 1853 C GLN A 116 -3.644 29.370 -28.949 1.00 44.24 C ATOM 1854 O GLN A 116 -4.444 30.274 -28.713 1.00 23.23 O ATOM 1855 CB GLN A 116 -5.631 27.871 -29.198 1.00 51.32 C ATOM 1856 CG GLN A 116 -6.478 28.191 -30.420 1.00 53.43 C ATOM 1857 CD GLN A 116 -7.091 26.953 -31.045 1.00 13.45 C ATOM 1858 OE1 GLN A 116 -8.170 26.511 -30.648 1.00 34.30 O ATOM 1859 NE2 GLN A 116 -6.403 26.384 -32.029 1.00 44.20 N ATOM 0 H GLN A 116 -2.705 27.241 -28.107 1.00 20.01 H new ATOM 0 HA GLN A 116 -3.934 27.941 -30.512 1.00 73.12 H new ATOM 0 HB2 GLN A 116 -5.845 26.853 -28.874 1.00 51.32 H new ATOM 0 HB3 GLN A 116 -5.921 28.533 -28.382 1.00 51.32 H new ATOM 0 HG2 GLN A 116 -7.272 28.881 -30.136 1.00 53.43 H new ATOM 0 HG3 GLN A 116 -5.862 28.701 -31.161 1.00 53.43 H new ATOM 0 HE21 GLN A 116 -5.513 26.784 -32.326 1.00 44.20 H new ATOM 0 HE22 GLN A 116 -6.765 25.548 -32.487 1.00 44.20 H new ATOM 1868 N GLN A 117 -2.331 29.506 -28.797 1.00 74.41 N ATOM 1869 CA GLN A 117 -1.742 30.755 -28.332 1.00 32.51 C ATOM 1870 C GLN A 117 -2.148 31.918 -29.232 1.00 31.30 C ATOM 1871 O GLN A 117 -2.244 33.059 -28.783 1.00 23.14 O ATOM 1872 CB GLN A 117 -0.217 30.640 -28.285 1.00 44.13 C ATOM 1873 CG GLN A 117 0.422 30.465 -29.654 1.00 3.31 C ATOM 1874 CD GLN A 117 1.934 30.385 -29.586 1.00 22.04 C ATOM 1875 OE1 GLN A 117 2.492 29.524 -28.905 1.00 33.33 O ATOM 1876 NE2 GLN A 117 2.607 31.286 -30.293 1.00 44.42 N ATOM 0 H GLN A 117 -1.655 28.767 -28.989 1.00 74.41 H new ATOM 0 HA GLN A 117 -2.116 30.950 -27.327 1.00 32.51 H new ATOM 0 HB2 GLN A 117 0.192 31.534 -27.814 1.00 44.13 H new ATOM 0 HB3 GLN A 117 0.056 29.794 -27.655 1.00 44.13 H new ATOM 0 HG2 GLN A 117 0.034 29.558 -30.118 1.00 3.31 H new ATOM 0 HG3 GLN A 117 0.134 31.299 -30.294 1.00 3.31 H new ATOM 0 HE21 GLN A 117 2.104 31.982 -30.844 1.00 44.42 H new ATOM 0 HE22 GLN A 117 3.627 31.282 -30.285 1.00 44.42 H new ATOM 1885 N ALA A 118 -2.383 31.620 -30.505 1.00 51.55 N ATOM 1886 CA ALA A 118 -2.781 32.639 -31.468 1.00 53.31 C ATOM 1887 C ALA A 118 -4.189 33.149 -31.179 1.00 52.23 C ATOM 1888 O ALA A 118 -4.634 34.135 -31.764 1.00 50.23 O ATOM 1889 CB ALA A 118 -2.697 32.088 -32.884 1.00 20.33 C ATOM 0 H ALA A 118 -2.305 30.680 -30.894 1.00 51.55 H new ATOM 0 HA ALA A 118 -2.093 33.479 -31.375 1.00 53.31 H new ATOM 0 HB1 ALA A 118 -2.997 32.860 -33.593 1.00 20.33 H new ATOM 0 HB2 ALA A 118 -1.673 31.780 -33.094 1.00 20.33 H new ATOM 0 HB3 ALA A 118 -3.361 31.229 -32.980 1.00 20.33 H new ATOM 1895 N ALA A 119 -4.884 32.469 -30.273 1.00 22.33 N ATOM 1896 CA ALA A 119 -6.241 32.854 -29.905 1.00 73.41 C ATOM 1897 C ALA A 119 -6.251 33.659 -28.611 1.00 60.31 C ATOM 1898 O ALA A 119 -7.173 33.543 -27.803 1.00 44.32 O ATOM 1899 CB ALA A 119 -7.122 31.621 -29.769 1.00 15.33 C ATOM 0 H ALA A 119 -4.530 31.649 -29.781 1.00 22.33 H new ATOM 0 HA ALA A 119 -6.640 33.486 -30.698 1.00 73.41 H new ATOM 0 HB1 ALA A 119 -8.132 31.924 -29.494 1.00 15.33 H new ATOM 0 HB2 ALA A 119 -7.149 31.087 -30.719 1.00 15.33 H new ATOM 0 HB3 ALA A 119 -6.716 30.967 -28.997 1.00 15.33 H new ATOM 1905 N ALA A 120 -5.221 34.476 -28.419 1.00 20.33 N ATOM 1906 CA ALA A 120 -5.113 35.302 -27.223 1.00 14.21 C ATOM 1907 C ALA A 120 -4.883 36.766 -27.585 1.00 15.45 C ATOM 1908 O ALA A 120 -5.472 37.663 -26.982 1.00 72.45 O ATOM 1909 CB ALA A 120 -3.989 34.794 -26.330 1.00 62.54 C ATOM 0 H ALA A 120 -4.449 34.584 -29.077 1.00 20.33 H new ATOM 0 HA ALA A 120 -6.055 35.233 -26.678 1.00 14.21 H new ATOM 0 HB1 ALA A 120 -3.920 35.420 -25.441 1.00 62.54 H new ATOM 0 HB2 ALA A 120 -4.196 33.765 -26.034 1.00 62.54 H new ATOM 0 HB3 ALA A 120 -3.046 34.832 -26.875 1.00 62.54 H new ATOM 1915 N ASP A 121 -4.022 36.998 -28.569 1.00 61.15 N ATOM 1916 CA ASP A 121 -3.715 38.354 -29.013 1.00 14.45 C ATOM 1917 C ASP A 121 -4.790 38.872 -29.961 1.00 64.52 C ATOM 1918 O ASP A 121 -4.839 40.064 -30.270 1.00 24.20 O ATOM 1919 CB ASP A 121 -2.349 38.390 -29.700 1.00 22.11 C ATOM 1920 CG ASP A 121 -1.734 39.776 -29.692 1.00 5.42 C ATOM 1921 OD1 ASP A 121 -1.246 40.202 -28.624 1.00 63.32 O ATOM 1922 OD2 ASP A 121 -1.740 40.433 -30.754 1.00 33.13 O ATOM 0 H ASP A 121 -3.524 36.266 -29.075 1.00 61.15 H new ATOM 0 HA ASP A 121 -3.689 39.001 -28.136 1.00 14.45 H new ATOM 0 HB2 ASP A 121 -1.676 37.694 -29.200 1.00 22.11 H new ATOM 0 HB3 ASP A 121 -2.454 38.048 -30.730 1.00 22.11 H new ATOM 1927 N THR A 122 -5.651 37.971 -30.422 1.00 53.31 N ATOM 1928 CA THR A 122 -6.725 38.337 -31.338 1.00 10.10 C ATOM 1929 C THR A 122 -7.937 38.865 -30.579 1.00 43.53 C ATOM 1930 O THR A 122 -8.572 38.135 -29.819 1.00 44.53 O ATOM 1931 CB THR A 122 -7.156 37.139 -32.204 1.00 42.14 C ATOM 1932 OG1 THR A 122 -7.045 35.925 -31.453 1.00 43.12 O ATOM 1933 CG2 THR A 122 -6.303 37.044 -33.460 1.00 1.13 C ATOM 0 H THR A 122 -5.626 36.981 -30.176 1.00 53.31 H new ATOM 0 HA THR A 122 -6.336 39.122 -31.986 1.00 10.10 H new ATOM 0 HB THR A 122 -8.194 37.289 -32.500 1.00 42.14 H new ATOM 0 HG1 THR A 122 -6.205 35.475 -31.681 1.00 43.12 H new ATOM 0 HG21 THR A 122 -6.626 36.190 -34.056 1.00 1.13 H new ATOM 0 HG22 THR A 122 -6.414 37.957 -34.045 1.00 1.13 H new ATOM 0 HG23 THR A 122 -5.257 36.916 -33.181 1.00 1.13 H new ATOM 1941 N GLY A 123 -8.255 40.139 -30.792 1.00 54.52 N ATOM 1942 CA GLY A 123 -9.391 40.742 -30.122 1.00 52.02 C ATOM 1943 C GLY A 123 -8.975 41.665 -28.994 1.00 45.22 C ATOM 1944 O GLY A 123 -8.606 41.208 -27.913 1.00 44.12 O ATOM 0 H GLY A 123 -7.745 40.764 -31.417 1.00 54.52 H new ATOM 0 HA2 GLY A 123 -9.981 41.302 -30.847 1.00 52.02 H new ATOM 0 HA3 GLY A 123 -10.035 39.956 -29.726 1.00 52.02 H new ATOM 1948 N ASN A 124 -9.036 42.968 -29.246 1.00 34.53 N ATOM 1949 CA ASN A 124 -8.660 43.959 -28.244 1.00 2.22 C ATOM 1950 C ASN A 124 -9.888 44.705 -27.729 1.00 41.25 C ATOM 1951 O ASN A 124 -9.814 45.886 -27.393 1.00 14.52 O ATOM 1952 CB ASN A 124 -7.654 44.952 -28.829 1.00 2.25 C ATOM 1953 CG ASN A 124 -6.405 44.270 -29.350 1.00 73.23 C ATOM 1954 OD1 ASN A 124 -6.243 44.084 -30.557 1.00 21.01 O ATOM 1955 ND2 ASN A 124 -5.513 43.893 -28.442 1.00 3.23 N ATOM 0 H ASN A 124 -9.342 43.363 -30.135 1.00 34.53 H new ATOM 0 HA ASN A 124 -8.197 43.435 -27.408 1.00 2.22 H new ATOM 0 HB2 ASN A 124 -8.126 45.508 -29.639 1.00 2.25 H new ATOM 0 HB3 ASN A 124 -7.376 45.677 -28.064 1.00 2.25 H new ATOM 0 HD21 ASN A 124 -4.653 43.429 -28.734 1.00 3.23 H new ATOM 0 HD22 ASN A 124 -5.688 44.067 -27.452 1.00 3.23 H new ATOM 1962 N ASN A 125 -11.018 44.005 -27.671 1.00 75.31 N ATOM 1963 CA ASN A 125 -12.261 44.601 -27.198 1.00 22.25 C ATOM 1964 C ASN A 125 -12.611 44.094 -25.802 1.00 61.11 C ATOM 1965 O ASN A 125 -12.289 42.962 -25.443 1.00 41.43 O ATOM 1966 CB ASN A 125 -13.403 44.287 -28.167 1.00 74.42 C ATOM 1967 CG ASN A 125 -13.428 42.827 -28.576 1.00 43.45 C ATOM 1968 OD1 ASN A 125 -13.880 41.967 -27.821 1.00 22.03 O ATOM 1969 ND2 ASN A 125 -12.941 42.541 -29.779 1.00 11.04 N ATOM 0 H ASN A 125 -11.097 43.026 -27.946 1.00 75.31 H new ATOM 0 HA ASN A 125 -12.121 45.681 -27.149 1.00 22.25 H new ATOM 0 HB2 ASN A 125 -14.353 44.547 -27.701 1.00 74.42 H new ATOM 0 HB3 ASN A 125 -13.303 44.909 -29.056 1.00 74.42 H new ATOM 0 HD21 ASN A 125 -12.932 41.576 -30.109 1.00 11.04 H new ATOM 0 HD22 ASN A 125 -12.576 43.286 -30.372 1.00 11.04 H new ATOM 1976 N SER A 126 -13.272 44.941 -25.020 1.00 23.24 N ATOM 1977 CA SER A 126 -13.663 44.580 -23.662 1.00 32.33 C ATOM 1978 C SER A 126 -14.464 45.703 -23.010 1.00 32.32 C ATOM 1979 O SER A 126 -14.392 46.857 -23.434 1.00 23.11 O ATOM 1980 CB SER A 126 -12.425 44.266 -22.819 1.00 33.25 C ATOM 1981 OG SER A 126 -12.414 42.909 -22.415 1.00 53.30 O ATOM 0 H SER A 126 -13.548 45.881 -25.303 1.00 23.24 H new ATOM 0 HA SER A 126 -14.293 43.692 -23.716 1.00 32.33 H new ATOM 0 HB2 SER A 126 -11.525 44.485 -23.394 1.00 33.25 H new ATOM 0 HB3 SER A 126 -12.407 44.910 -21.940 1.00 33.25 H new ATOM 0 HG SER A 126 -12.355 42.333 -23.206 1.00 53.30 H new ATOM 1987 N GLN A 127 -15.226 45.357 -21.978 1.00 51.01 N ATOM 1988 CA GLN A 127 -16.041 46.335 -21.268 1.00 44.03 C ATOM 1989 C GLN A 127 -15.756 46.299 -19.771 1.00 43.32 C ATOM 1990 O GLN A 127 -16.137 45.354 -19.079 1.00 60.32 O ATOM 1991 CB GLN A 127 -17.527 46.073 -21.523 1.00 50.25 C ATOM 1992 CG GLN A 127 -17.933 44.622 -21.319 1.00 52.40 C ATOM 1993 CD GLN A 127 -18.107 43.875 -22.626 1.00 23.11 C ATOM 1994 OE1 GLN A 127 -18.837 44.317 -23.514 1.00 70.42 O ATOM 1995 NE2 GLN A 127 -17.437 42.735 -22.751 1.00 70.33 N ATOM 0 H GLN A 127 -15.296 44.406 -21.615 1.00 51.01 H new ATOM 0 HA GLN A 127 -15.784 47.325 -21.644 1.00 44.03 H new ATOM 0 HB2 GLN A 127 -18.118 46.704 -20.859 1.00 50.25 H new ATOM 0 HB3 GLN A 127 -17.770 46.369 -22.543 1.00 50.25 H new ATOM 0 HG2 GLN A 127 -17.178 44.119 -20.715 1.00 52.40 H new ATOM 0 HG3 GLN A 127 -18.866 44.586 -20.757 1.00 52.40 H new ATOM 0 HE21 GLN A 127 -16.843 42.406 -21.990 1.00 70.33 H new ATOM 0 HE22 GLN A 127 -17.516 42.188 -23.608 1.00 70.33 H new ATOM 2004 N VAL A 128 -15.083 47.332 -19.276 1.00 74.51 N ATOM 2005 CA VAL A 128 -14.746 47.419 -17.860 1.00 65.52 C ATOM 2006 C VAL A 128 -15.968 47.791 -17.027 1.00 41.12 C ATOM 2007 O VAL A 128 -16.789 48.610 -17.440 1.00 52.15 O ATOM 2008 CB VAL A 128 -13.634 48.454 -17.610 1.00 62.52 C ATOM 2009 CG1 VAL A 128 -12.351 48.042 -18.316 1.00 5.55 C ATOM 2010 CG2 VAL A 128 -14.080 49.836 -18.063 1.00 43.23 C ATOM 0 H VAL A 128 -14.760 48.122 -19.835 1.00 74.51 H new ATOM 0 HA VAL A 128 -14.389 46.434 -17.558 1.00 65.52 H new ATOM 0 HB VAL A 128 -13.435 48.494 -16.539 1.00 62.52 H new ATOM 0 HG11 VAL A 128 -11.577 48.786 -18.127 1.00 5.55 H new ATOM 0 HG12 VAL A 128 -12.023 47.073 -17.939 1.00 5.55 H new ATOM 0 HG13 VAL A 128 -12.533 47.971 -19.388 1.00 5.55 H new ATOM 0 HG21 VAL A 128 -13.281 50.555 -17.879 1.00 43.23 H new ATOM 0 HG22 VAL A 128 -14.309 49.813 -19.128 1.00 43.23 H new ATOM 0 HG23 VAL A 128 -14.970 50.132 -17.507 1.00 43.23 H new ATOM 2020 N SER A 129 -16.082 47.183 -15.850 1.00 74.32 N ATOM 2021 CA SER A 129 -17.205 47.448 -14.959 1.00 62.40 C ATOM 2022 C SER A 129 -16.812 47.212 -13.504 1.00 34.30 C ATOM 2023 O SER A 129 -16.509 46.087 -13.107 1.00 70.30 O ATOM 2024 CB SER A 129 -18.396 46.560 -15.327 1.00 73.41 C ATOM 2025 OG SER A 129 -19.407 46.625 -14.336 1.00 72.44 O ATOM 0 H SER A 129 -15.410 46.504 -15.492 1.00 74.32 H new ATOM 0 HA SER A 129 -17.490 48.494 -15.076 1.00 62.40 H new ATOM 0 HB2 SER A 129 -18.804 46.873 -16.288 1.00 73.41 H new ATOM 0 HB3 SER A 129 -18.062 45.529 -15.443 1.00 73.41 H new ATOM 0 HG SER A 129 -20.157 46.050 -14.596 1.00 72.44 H new ATOM 2031 N GLN A 130 -16.819 48.282 -12.715 1.00 0.23 N ATOM 2032 CA GLN A 130 -16.462 48.193 -11.304 1.00 43.41 C ATOM 2033 C GLN A 130 -17.503 47.391 -10.529 1.00 41.34 C ATOM 2034 O GLN A 130 -18.569 47.070 -11.053 1.00 23.55 O ATOM 2035 CB GLN A 130 -16.325 49.591 -10.701 1.00 64.34 C ATOM 2036 CG GLN A 130 -14.886 49.998 -10.428 1.00 44.12 C ATOM 2037 CD GLN A 130 -14.332 49.369 -9.165 1.00 11.02 C ATOM 2038 OE1 GLN A 130 -14.803 49.646 -8.061 1.00 0.21 O ATOM 2039 NE2 GLN A 130 -13.326 48.516 -9.320 1.00 34.33 N ATOM 0 H GLN A 130 -17.068 49.220 -13.029 1.00 0.23 H new ATOM 0 HA GLN A 130 -15.504 47.678 -11.229 1.00 43.41 H new ATOM 0 HB2 GLN A 130 -16.776 50.316 -11.379 1.00 64.34 H new ATOM 0 HB3 GLN A 130 -16.888 49.632 -9.769 1.00 64.34 H new ATOM 0 HG2 GLN A 130 -14.264 49.711 -11.276 1.00 44.12 H new ATOM 0 HG3 GLN A 130 -14.829 51.083 -10.344 1.00 44.12 H new ATOM 0 HE21 GLN A 130 -12.967 48.315 -10.253 1.00 34.33 H new ATOM 0 HE22 GLN A 130 -12.913 48.061 -8.506 1.00 34.33 H new ATOM 2048 N ASN A 131 -17.186 47.071 -9.279 1.00 4.11 N ATOM 2049 CA ASN A 131 -18.094 46.306 -8.432 1.00 23.10 C ATOM 2050 C ASN A 131 -18.929 47.233 -7.554 1.00 22.53 C ATOM 2051 O ASN A 131 -18.451 48.272 -7.098 1.00 11.02 O ATOM 2052 CB ASN A 131 -17.307 45.329 -7.556 1.00 64.22 C ATOM 2053 CG ASN A 131 -18.203 44.318 -6.869 1.00 24.05 C ATOM 2054 OD1 ASN A 131 -18.614 43.325 -7.469 1.00 70.01 O ATOM 2055 ND2 ASN A 131 -18.512 44.567 -5.601 1.00 31.50 N ATOM 0 H ASN A 131 -16.307 47.329 -8.830 1.00 4.11 H new ATOM 0 HA ASN A 131 -18.767 45.743 -9.079 1.00 23.10 H new ATOM 0 HB2 ASN A 131 -16.575 44.804 -8.170 1.00 64.22 H new ATOM 0 HB3 ASN A 131 -16.750 45.887 -6.804 1.00 64.22 H new ATOM 0 HD21 ASN A 131 -19.112 43.923 -5.086 1.00 31.50 H new ATOM 0 HD22 ASN A 131 -18.149 45.403 -5.142 1.00 31.50 H new ATOM 2062 N TYR A 132 -20.179 46.850 -7.320 1.00 45.04 N ATOM 2063 CA TYR A 132 -21.083 47.648 -6.499 1.00 53.42 C ATOM 2064 C TYR A 132 -20.586 47.722 -5.058 1.00 40.30 C ATOM 2065 O TYR A 132 -20.561 48.809 -4.484 1.00 23.13 O ATOM 2066 CB TYR A 132 -22.493 47.057 -6.534 1.00 42.42 C ATOM 2067 CG TYR A 132 -23.557 47.997 -6.012 1.00 75.04 C ATOM 2068 CD1 TYR A 132 -23.661 49.296 -6.494 1.00 10.52 C ATOM 2069 CD2 TYR A 132 -24.458 47.585 -5.039 1.00 23.25 C ATOM 2070 CE1 TYR A 132 -24.630 50.158 -6.019 1.00 0.43 C ATOM 2071 CE2 TYR A 132 -25.432 48.440 -4.559 1.00 52.10 C ATOM 2072 CZ TYR A 132 -25.514 49.725 -5.052 1.00 73.23 C ATOM 2073 OH TYR A 132 -26.481 50.580 -4.578 1.00 24.52 O ATOM 0 H TYR A 132 -20.590 45.992 -7.687 1.00 45.04 H new ATOM 0 HA TYR A 132 -21.110 48.658 -6.908 1.00 53.42 H new ATOM 0 HB2 TYR A 132 -22.736 46.780 -7.560 1.00 42.42 H new ATOM 0 HB3 TYR A 132 -22.509 46.141 -5.944 1.00 42.42 H new ATOM 0 HD1 TYR A 132 -22.973 49.637 -7.253 1.00 10.52 H new ATOM 0 HD2 TYR A 132 -24.397 46.579 -4.651 1.00 23.25 H new ATOM 0 HE1 TYR A 132 -24.695 51.166 -6.402 1.00 0.43 H new ATOM 0 HE2 TYR A 132 -26.125 48.103 -3.802 1.00 52.10 H new ATOM 0 HH TYR A 132 -27.022 50.120 -3.902 1.00 24.52 H new TER 2083 TYR A 132 HETATM 2084 P1 PBU A 300 -16.562 18.325 10.209 1.00 22.04 P HETATM 2085 P4 PBU A 300 -17.432 23.926 4.313 1.00 55.31 P HETATM 2086 P5 PBU A 300 -20.855 21.884 5.098 1.00 34.05 P HETATM 2087 C3' PBU A 300 -17.190 16.417 8.704 1.00 74.34 C HETATM 2088 C2' PBU A 300 -15.935 16.477 7.798 1.00 43.15 C HETATM 2089 O2' PBU A 300 -16.268 15.936 6.530 1.00 20.02 O HETATM 2090 C1' PBU A 300 -14.753 15.673 8.393 1.00 73.21 C HETATM 2091 O1' PBU A 300 -15.238 14.462 8.933 1.00 5.11 O HETATM 2092 C1 PBU A 300 -17.388 20.425 8.337 1.00 62.53 C HETATM 2093 O1 PBU A 300 -17.607 19.218 9.258 1.00 34.21 O HETATM 2094 C2 PBU A 300 -17.426 21.824 9.041 1.00 2.24 C HETATM 2095 O2 PBU A 300 -18.631 22.053 9.766 1.00 41.51 O HETATM 2096 C3 PBU A 300 -17.237 22.958 8.009 1.00 52.24 C HETATM 2097 O3 PBU A 300 -17.288 24.206 8.714 1.00 15.13 O HETATM 2098 C4 PBU A 300 -18.323 22.881 6.867 1.00 30.13 C HETATM 2099 O4 PBU A 300 -18.069 23.981 5.852 1.00 61.42 O HETATM 2100 C5 PBU A 300 -18.242 21.458 6.185 1.00 60.12 C HETATM 2101 O5 PBU A 300 -19.291 21.366 5.167 1.00 10.23 O HETATM 2102 C6 PBU A 300 -18.420 20.301 7.200 1.00 40.10 C HETATM 2103 O6 PBU A 300 -18.229 19.012 6.597 1.00 75.12 O HETATM 2104 C7 PBU A 300 -16.449 16.845 5.459 1.00 33.35 C HETATM 2105 O7 PBU A 300 -17.463 16.822 4.798 1.00 31.51 O HETATM 2106 C8 PBU A 300 -15.354 17.881 5.145 1.00 20.22 C HETATM 2107 C9 PBU A 300 -15.487 18.371 3.691 1.00 72.40 C HETATM 2108 C10 PBU A 300 -14.646 19.647 3.501 1.00 44.14 C HETATM 2109 C11 PBU A 300 -15.118 14.154 10.303 1.00 41.14 C HETATM 2110 O11 PBU A 300 -14.143 14.406 10.984 1.00 54.31 O HETATM 2111 C12 PBU A 300 -16.321 13.389 10.922 1.00 44.43 C HETATM 2112 C13 PBU A 300 -15.910 12.363 11.990 1.00 14.43 C HETATM 2113 C14 PBU A 300 -16.891 11.178 12.032 1.00 51.14 C HETATM 2114 O41 PBU A 300 -17.489 25.415 3.985 1.00 74.44 O HETATM 2115 O42 PBU A 300 -16.040 23.374 4.473 1.00 44.53 O HETATM 2116 O43 PBU A 300 -18.283 23.026 3.433 1.00 63.13 O HETATM 2117 O51 PBU A 300 -20.664 23.241 4.451 1.00 75.12 O HETATM 2118 O52 PBU A 300 -21.547 20.805 4.282 1.00 42.12 O HETATM 2119 O53 PBU A 300 -21.263 21.942 6.553 1.00 41.21 O HETATM 2120 OP1 PBU A 300 -16.911 16.879 10.009 1.00 74.43 O HETATM 2121 OP2 PBU A 300 -15.189 18.712 9.657 1.00 31.10 O HETATM 2122 OP3 PBU A 300 -16.883 18.751 11.619 1.00 71.43 O HETATM 0 H3'2 PBU A 300 -17.985 17.020 8.266 1.00 74.34 H new HETATM 0 H3'1 PBU A 300 -17.557 15.392 8.751 1.00 74.34 H new HETATM 0 H143 PBU A 300 -17.891 11.542 12.267 1.00 51.14 H new HETATM 0 H142 PBU A 300 -16.904 10.682 11.061 1.00 51.14 H new HETATM 0 H141 PBU A 300 -16.573 10.470 12.797 1.00 51.14 H new HETATM 0 H132 PBU A 300 -14.905 11.998 11.780 1.00 14.43 H new HETATM 0 H131 PBU A 300 -15.876 12.845 12.967 1.00 14.43 H new HETATM 0 H122 PBU A 300 -17.009 14.108 11.366 1.00 44.43 H new HETATM 0 H121 PBU A 300 -16.864 12.877 10.127 1.00 44.43 H new HETATM 0 H1'2 PBU A 300 -14.011 15.469 7.621 1.00 73.21 H new HETATM 0 H1'1 PBU A 300 -14.255 16.256 9.167 1.00 73.21 H new HETATM 0 H92 PBU A 300 -15.152 17.596 3.002 1.00 72.40 H new HETATM 0 H91 PBU A 300 -16.532 18.573 3.458 1.00 72.40 H new HETATM 0 H82 PBU A 300 -15.435 18.725 5.830 1.00 20.22 H new HETATM 0 H81 PBU A 300 -14.370 17.439 5.299 1.00 20.22 H new HETATM 0 H6 PBU A 300 -19.441 20.379 7.575 1.00 40.10 H new HETATM 0 H5 PBU A 300 -17.250 21.356 5.745 1.00 60.12 H new HETATM 0 H4 PBU A 300 -19.321 23.021 7.281 1.00 30.13 H new HETATM 0 H3 PBU A 300 -16.272 22.858 7.512 1.00 52.24 H new HETATM 0 H2' PBU A 300 -15.623 17.518 7.715 1.00 43.15 H new HETATM 0 H2 PBU A 300 -16.604 21.822 9.757 1.00 2.24 H new HETATM 0 H13 PBU A 300 -15.002 20.422 4.180 1.00 44.14 H new HETATM 0 H12 PBU A 300 -13.600 19.429 3.717 1.00 44.14 H new HETATM 0 H11 PBU A 300 -14.740 19.995 2.472 1.00 44.14 H new HETATM 0 H1 PBU A 300 -16.367 20.394 7.957 1.00 62.53 H new HETATM 0 H06 PBU A 300 -18.871 18.894 5.866 1.00 75.12 H new HETATM 0 H03 PBU A 300 -17.169 24.944 8.081 1.00 15.13 H new HETATM 0 H02 PBU A 300 -18.780 23.017 9.857 1.00 41.51 H new