USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 LYS NZ :NH3+ -143:sc= 0.795 (180deg=0) USER MOD Set 1.2: A 89 HIS : no HD1:sc= 1.49 K(o=2.3,f=-7!) USER MOD Set 2.1: A 72 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 29 TYR OH : rot -18:sc= 1.23 USER MOD Set 3.2: A 97 THR OG1 : rot 111:sc= 1.44 USER MOD Single : A 11 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 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= -2.58! C(o=-2.6!,f=-7.9!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 98:sc= 0.586 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= -1.29 USER MOD Single : A 58 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.15) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.3) USER MOD Single : A 81 THR OG1 : rot 71:sc= 0.398 USER MOD Single : A 83 CYS SG : rot 130:sc= -0.881 USER MOD Single : A 87 CYS SG : rot 91:sc= 0.118 USER MOD Single : A 93 LYS NZ :NH3+ -164:sc= -0.0369 (180deg=-0.325) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.379 K(o=0.38,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 7 6.802 3.807 -13.111 1.00 33.14 N ATOM 68 CA VAL A 7 7.807 4.669 -13.723 1.00 2.11 C ATOM 69 C VAL A 7 9.214 4.250 -13.312 1.00 71.23 C ATOM 70 O VAL A 7 10.115 4.159 -14.146 1.00 54.13 O ATOM 71 CB VAL A 7 7.589 6.145 -13.339 1.00 14.44 C ATOM 72 CG1 VAL A 7 8.515 7.047 -14.140 1.00 22.01 C ATOM 73 CG2 VAL A 7 6.135 6.540 -13.544 1.00 24.03 C ATOM 0 HA VAL A 7 7.701 4.563 -14.803 1.00 2.11 H new ATOM 0 HB VAL A 7 7.828 6.267 -12.282 1.00 14.44 H new ATOM 0 HG11 VAL A 7 8.347 8.086 -13.855 1.00 22.01 H new ATOM 0 HG12 VAL A 7 9.551 6.778 -13.936 1.00 22.01 H new ATOM 0 HG13 VAL A 7 8.311 6.925 -15.204 1.00 22.01 H new ATOM 0 HG21 VAL A 7 6.000 7.586 -13.268 1.00 24.03 H new ATOM 0 HG22 VAL A 7 5.865 6.403 -14.591 1.00 24.03 H new ATOM 0 HG23 VAL A 7 5.497 5.914 -12.920 1.00 24.03 H new ATOM 83 N LEU A 8 9.396 3.996 -12.021 1.00 21.41 N ATOM 84 CA LEU A 8 10.695 3.585 -11.498 1.00 23.11 C ATOM 85 C LEU A 8 10.537 2.497 -10.441 1.00 22.53 C ATOM 86 O LEU A 8 9.753 2.639 -9.502 1.00 64.40 O ATOM 87 CB LEU A 8 11.431 4.788 -10.903 1.00 42.41 C ATOM 88 CG LEU A 8 11.821 5.890 -11.889 1.00 21.05 C ATOM 89 CD1 LEU A 8 12.433 7.072 -11.152 1.00 4.22 C ATOM 90 CD2 LEU A 8 12.786 5.353 -12.934 1.00 74.55 C ATOM 0 H LEU A 8 8.661 4.067 -11.317 1.00 21.41 H new ATOM 0 HA LEU A 8 11.280 3.181 -12.324 1.00 23.11 H new ATOM 0 HB2 LEU A 8 10.802 5.227 -10.128 1.00 42.41 H new ATOM 0 HB3 LEU A 8 12.336 4.429 -10.413 1.00 42.41 H new ATOM 0 HG LEU A 8 10.920 6.232 -12.398 1.00 21.05 H new ATOM 0 HD11 LEU A 8 12.705 7.847 -11.869 1.00 4.22 H new ATOM 0 HD12 LEU A 8 11.709 7.472 -10.442 1.00 4.22 H new ATOM 0 HD13 LEU A 8 13.324 6.745 -10.616 1.00 4.22 H new ATOM 0 HD21 LEU A 8 13.053 6.151 -13.627 1.00 74.55 H new ATOM 0 HD22 LEU A 8 13.686 4.984 -12.442 1.00 74.55 H new ATOM 0 HD23 LEU A 8 12.312 4.539 -13.483 1.00 74.55 H new ATOM 102 N ARG A 9 11.288 1.413 -10.598 1.00 32.21 N ATOM 103 CA ARG A 9 11.232 0.301 -9.657 1.00 0.10 C ATOM 104 C ARG A 9 12.012 0.625 -8.386 1.00 40.01 C ATOM 105 O ARG A 9 12.524 1.732 -8.224 1.00 73.23 O ATOM 106 CB ARG A 9 11.791 -0.969 -10.301 1.00 64.21 C ATOM 107 CG ARG A 9 13.206 -0.812 -10.829 1.00 14.44 C ATOM 108 CD ARG A 9 13.369 -1.467 -12.192 1.00 1.00 C ATOM 109 NE ARG A 9 13.164 -2.912 -12.133 1.00 74.55 N ATOM 110 CZ ARG A 9 13.178 -3.699 -13.203 1.00 40.11 C ATOM 111 NH1 ARG A 9 13.384 -3.185 -14.407 1.00 74.12 N ATOM 112 NH2 ARG A 9 12.984 -5.005 -13.068 1.00 52.13 N ATOM 0 H ARG A 9 11.943 1.281 -11.369 1.00 32.21 H new ATOM 0 HA ARG A 9 10.188 0.136 -9.390 1.00 0.10 H new ATOM 0 HB2 ARG A 9 11.773 -1.776 -9.568 1.00 64.21 H new ATOM 0 HB3 ARG A 9 11.138 -1.268 -11.121 1.00 64.21 H new ATOM 0 HG2 ARG A 9 13.453 0.247 -10.901 1.00 14.44 H new ATOM 0 HG3 ARG A 9 13.910 -1.256 -10.125 1.00 14.44 H new ATOM 0 HD2 ARG A 9 12.658 -1.028 -12.892 1.00 1.00 H new ATOM 0 HD3 ARG A 9 14.367 -1.258 -12.578 1.00 1.00 H new ATOM 0 HE ARG A 9 13.001 -3.340 -11.221 1.00 74.55 H new ATOM 0 HH11 ARG A 9 13.533 -2.182 -14.515 1.00 74.12 H new ATOM 0 HH12 ARG A 9 13.394 -3.793 -15.226 1.00 74.12 H new ATOM 0 HH21 ARG A 9 12.824 -5.404 -12.143 1.00 52.13 H new ATOM 0 HH22 ARG A 9 12.995 -5.610 -13.889 1.00 52.13 H new ATOM 126 N GLY A 10 12.098 -0.350 -7.486 1.00 34.54 N ATOM 127 CA GLY A 10 12.818 -0.148 -6.241 1.00 2.41 C ATOM 128 C GLY A 10 14.308 0.031 -6.454 1.00 65.23 C ATOM 129 O GLY A 10 15.010 0.543 -5.582 1.00 2.42 O ATOM 0 H GLY A 10 11.683 -1.275 -7.596 1.00 34.54 H new ATOM 0 HA2 GLY A 10 12.419 0.730 -5.733 1.00 2.41 H new ATOM 0 HA3 GLY A 10 12.648 -1.001 -5.584 1.00 2.41 H new ATOM 133 N LYS A 11 14.792 -0.391 -7.617 1.00 74.53 N ATOM 134 CA LYS A 11 16.208 -0.275 -7.943 1.00 54.32 C ATOM 135 C LYS A 11 16.478 0.989 -8.753 1.00 40.11 C ATOM 136 O LYS A 11 17.560 1.570 -8.674 1.00 32.52 O ATOM 137 CB LYS A 11 16.675 -1.505 -8.726 1.00 24.01 C ATOM 138 CG LYS A 11 18.161 -1.789 -8.585 1.00 25.34 C ATOM 139 CD LYS A 11 18.413 -3.199 -8.078 1.00 60.20 C ATOM 140 CE LYS A 11 18.569 -3.228 -6.565 1.00 33.44 C ATOM 141 NZ LYS A 11 19.964 -3.553 -6.158 1.00 72.42 N ATOM 0 H LYS A 11 14.224 -0.817 -8.350 1.00 74.53 H new ATOM 0 HA LYS A 11 16.766 -0.213 -7.009 1.00 54.32 H new ATOM 0 HB2 LYS A 11 16.114 -2.376 -8.387 1.00 24.01 H new ATOM 0 HB3 LYS A 11 16.439 -1.365 -9.781 1.00 24.01 H new ATOM 0 HG2 LYS A 11 18.651 -1.655 -9.549 1.00 25.34 H new ATOM 0 HG3 LYS A 11 18.606 -1.069 -7.898 1.00 25.34 H new ATOM 0 HD2 LYS A 11 17.586 -3.846 -8.372 1.00 60.20 H new ATOM 0 HD3 LYS A 11 19.313 -3.599 -8.545 1.00 60.20 H new ATOM 0 HE2 LYS A 11 18.286 -2.260 -6.152 1.00 33.44 H new ATOM 0 HE3 LYS A 11 17.886 -3.966 -6.143 1.00 33.44 H new ATOM 0 HZ1 LYS A 11 20.029 -3.563 -5.120 1.00 72.42 H new ATOM 0 HZ2 LYS A 11 20.225 -4.488 -6.531 1.00 72.42 H new ATOM 0 HZ3 LYS A 11 20.613 -2.835 -6.539 1.00 72.42 H new ATOM 155 N LYS A 12 15.488 1.410 -9.532 1.00 63.21 N ATOM 156 CA LYS A 12 15.616 2.606 -10.356 1.00 20.14 C ATOM 157 C LYS A 12 15.539 3.867 -9.499 1.00 51.50 C ATOM 158 O LYS A 12 16.319 4.801 -9.682 1.00 3.40 O ATOM 159 CB LYS A 12 14.522 2.636 -11.424 1.00 45.52 C ATOM 160 CG LYS A 12 14.794 1.714 -12.600 1.00 14.43 C ATOM 161 CD LYS A 12 13.694 1.800 -13.643 1.00 44.23 C ATOM 162 CE LYS A 12 13.771 0.646 -14.632 1.00 73.33 C ATOM 163 NZ LYS A 12 14.338 1.075 -15.941 1.00 13.12 N ATOM 0 H LYS A 12 14.586 0.940 -9.610 1.00 63.21 H new ATOM 0 HA LYS A 12 16.590 2.577 -10.844 1.00 20.14 H new ATOM 0 HB2 LYS A 12 13.572 2.358 -10.967 1.00 45.52 H new ATOM 0 HB3 LYS A 12 14.412 3.656 -11.791 1.00 45.52 H new ATOM 0 HG2 LYS A 12 15.749 1.976 -13.055 1.00 14.43 H new ATOM 0 HG3 LYS A 12 14.881 0.687 -12.246 1.00 14.43 H new ATOM 0 HD2 LYS A 12 12.722 1.793 -13.150 1.00 44.23 H new ATOM 0 HD3 LYS A 12 13.773 2.746 -14.179 1.00 44.23 H new ATOM 0 HE2 LYS A 12 14.386 -0.151 -14.213 1.00 73.33 H new ATOM 0 HE3 LYS A 12 12.774 0.232 -14.786 1.00 73.33 H new ATOM 0 HZ1 LYS A 12 13.851 0.574 -16.711 1.00 13.12 H new ATOM 0 HZ2 LYS A 12 14.207 2.100 -16.057 1.00 13.12 H new ATOM 0 HZ3 LYS A 12 15.353 0.851 -15.970 1.00 13.12 H new ATOM 177 N ALA A 13 14.594 3.884 -8.564 1.00 33.40 N ATOM 178 CA ALA A 13 14.419 5.028 -7.678 1.00 42.11 C ATOM 179 C ALA A 13 15.738 5.424 -7.024 1.00 13.04 C ATOM 180 O ALA A 13 15.998 6.605 -6.792 1.00 4.44 O ATOM 181 CB ALA A 13 13.374 4.717 -6.616 1.00 62.34 C ATOM 0 H ALA A 13 13.939 3.119 -8.401 1.00 33.40 H new ATOM 0 HA ALA A 13 14.074 5.871 -8.277 1.00 42.11 H new ATOM 0 HB1 ALA A 13 13.253 5.580 -5.961 1.00 62.34 H new ATOM 0 HB2 ALA A 13 12.423 4.490 -7.097 1.00 62.34 H new ATOM 0 HB3 ALA A 13 13.697 3.858 -6.028 1.00 62.34 H new ATOM 187 N ASP A 14 16.568 4.430 -6.728 1.00 44.03 N ATOM 188 CA ASP A 14 17.862 4.674 -6.100 1.00 42.15 C ATOM 189 C ASP A 14 18.681 5.669 -6.915 1.00 21.50 C ATOM 190 O ASP A 14 19.462 6.444 -6.363 1.00 51.41 O ATOM 191 CB ASP A 14 18.635 3.363 -5.947 1.00 45.24 C ATOM 192 CG ASP A 14 18.508 2.776 -4.555 1.00 64.44 C ATOM 193 OD1 ASP A 14 17.473 3.021 -3.900 1.00 12.31 O ATOM 194 OD2 ASP A 14 19.444 2.073 -4.120 1.00 51.42 O ATOM 0 H ASP A 14 16.368 3.447 -6.913 1.00 44.03 H new ATOM 0 HA ASP A 14 17.684 5.099 -5.112 1.00 42.15 H new ATOM 0 HB2 ASP A 14 18.269 2.641 -6.677 1.00 45.24 H new ATOM 0 HB3 ASP A 14 19.688 3.537 -6.170 1.00 45.24 H new ATOM 199 N GLU A 15 18.498 5.642 -8.232 1.00 30.33 N ATOM 200 CA GLU A 15 19.223 6.542 -9.122 1.00 44.40 C ATOM 201 C GLU A 15 18.609 7.939 -9.099 1.00 74.14 C ATOM 202 O GLU A 15 19.325 8.943 -9.089 1.00 65.11 O ATOM 203 CB GLU A 15 19.218 5.993 -10.551 1.00 21.41 C ATOM 204 CG GLU A 15 20.594 5.589 -11.051 1.00 12.21 C ATOM 205 CD GLU A 15 21.129 4.355 -10.352 1.00 13.50 C ATOM 206 OE1 GLU A 15 20.439 3.314 -10.377 1.00 13.25 O ATOM 207 OE2 GLU A 15 22.238 4.429 -9.781 1.00 42.20 O ATOM 0 H GLU A 15 17.855 5.008 -8.706 1.00 30.33 H new ATOM 0 HA GLU A 15 20.252 6.611 -8.770 1.00 44.40 H new ATOM 0 HB2 GLU A 15 18.555 5.129 -10.597 1.00 21.41 H new ATOM 0 HB3 GLU A 15 18.804 6.748 -11.220 1.00 21.41 H new ATOM 0 HG2 GLU A 15 20.546 5.402 -12.124 1.00 12.21 H new ATOM 0 HG3 GLU A 15 21.288 6.416 -10.902 1.00 12.21 H new ATOM 214 N LEU A 16 17.283 7.997 -9.094 1.00 63.31 N ATOM 215 CA LEU A 16 16.572 9.271 -9.073 1.00 74.22 C ATOM 216 C LEU A 16 16.896 10.055 -7.805 1.00 50.14 C ATOM 217 O LEU A 16 17.304 11.214 -7.869 1.00 64.02 O ATOM 218 CB LEU A 16 15.064 9.038 -9.171 1.00 3.11 C ATOM 219 CG LEU A 16 14.293 10.000 -10.075 1.00 21.20 C ATOM 220 CD1 LEU A 16 12.806 9.958 -9.757 1.00 14.52 C ATOM 221 CD2 LEU A 16 14.831 11.417 -9.929 1.00 41.23 C ATOM 0 H LEU A 16 16.677 7.177 -9.104 1.00 63.31 H new ATOM 0 HA LEU A 16 16.899 9.855 -9.933 1.00 74.22 H new ATOM 0 HB2 LEU A 16 14.896 8.022 -9.529 1.00 3.11 H new ATOM 0 HB3 LEU A 16 14.642 9.097 -8.168 1.00 3.11 H new ATOM 0 HG LEU A 16 14.431 9.684 -11.109 1.00 21.20 H new ATOM 0 HD11 LEU A 16 12.274 10.649 -10.411 1.00 14.52 H new ATOM 0 HD12 LEU A 16 12.429 8.947 -9.914 1.00 14.52 H new ATOM 0 HD13 LEU A 16 12.648 10.247 -8.718 1.00 14.52 H new ATOM 0 HD21 LEU A 16 14.270 12.088 -10.580 1.00 41.23 H new ATOM 0 HD22 LEU A 16 14.724 11.742 -8.894 1.00 41.23 H new ATOM 0 HD23 LEU A 16 15.884 11.437 -10.208 1.00 41.23 H new ATOM 233 N GLU A 17 16.714 9.413 -6.656 1.00 5.24 N ATOM 234 CA GLU A 17 16.989 10.051 -5.374 1.00 23.13 C ATOM 235 C GLU A 17 18.419 10.579 -5.324 1.00 61.24 C ATOM 236 O GLU A 17 18.714 11.535 -4.606 1.00 14.20 O ATOM 237 CB GLU A 17 16.758 9.063 -4.228 1.00 21.42 C ATOM 238 CG GLU A 17 15.417 9.236 -3.536 1.00 5.03 C ATOM 239 CD GLU A 17 14.625 7.944 -3.469 1.00 23.44 C ATOM 240 OE1 GLU A 17 15.048 7.026 -2.737 1.00 3.15 O ATOM 241 OE2 GLU A 17 13.581 7.854 -4.149 1.00 10.54 O ATOM 0 H GLU A 17 16.378 8.453 -6.586 1.00 5.24 H new ATOM 0 HA GLU A 17 16.306 10.893 -5.262 1.00 23.13 H new ATOM 0 HB2 GLU A 17 16.829 8.047 -4.616 1.00 21.42 H new ATOM 0 HB3 GLU A 17 17.554 9.180 -3.493 1.00 21.42 H new ATOM 0 HG2 GLU A 17 15.579 9.611 -2.526 1.00 5.03 H new ATOM 0 HG3 GLU A 17 14.833 9.989 -4.066 1.00 5.03 H new ATOM 248 N ARG A 18 19.302 9.951 -6.093 1.00 33.31 N ATOM 249 CA ARG A 18 20.702 10.356 -6.136 1.00 31.13 C ATOM 250 C ARG A 18 20.862 11.685 -6.870 1.00 42.31 C ATOM 251 O ARG A 18 21.778 12.457 -6.584 1.00 4.14 O ATOM 252 CB ARG A 18 21.547 9.279 -6.820 1.00 61.04 C ATOM 253 CG ARG A 18 22.433 8.501 -5.863 1.00 32.25 C ATOM 254 CD ARG A 18 23.014 7.260 -6.524 1.00 23.40 C ATOM 255 NE ARG A 18 23.819 6.471 -5.596 1.00 34.33 N ATOM 256 CZ ARG A 18 24.700 5.556 -5.983 1.00 12.12 C ATOM 257 NH1 ARG A 18 24.889 5.316 -7.273 1.00 34.54 N ATOM 258 NH2 ARG A 18 25.396 4.879 -5.078 1.00 34.10 N ATOM 0 H ARG A 18 19.073 9.160 -6.695 1.00 33.31 H new ATOM 0 HA ARG A 18 21.048 10.483 -5.110 1.00 31.13 H new ATOM 0 HB2 ARG A 18 20.885 8.583 -7.336 1.00 61.04 H new ATOM 0 HB3 ARG A 18 22.172 9.748 -7.580 1.00 61.04 H new ATOM 0 HG2 ARG A 18 23.243 9.141 -5.514 1.00 32.25 H new ATOM 0 HG3 ARG A 18 21.855 8.210 -4.986 1.00 32.25 H new ATOM 0 HD2 ARG A 18 22.204 6.644 -6.915 1.00 23.40 H new ATOM 0 HD3 ARG A 18 23.628 7.556 -7.375 1.00 23.40 H new ATOM 0 HE ARG A 18 23.698 6.631 -4.596 1.00 34.33 H new ATOM 0 HH11 ARG A 18 24.357 5.835 -7.972 1.00 34.54 H new ATOM 0 HH12 ARG A 18 25.567 4.612 -7.567 1.00 34.54 H new ATOM 0 HH21 ARG A 18 25.254 5.061 -4.085 1.00 34.10 H new ATOM 0 HH22 ARG A 18 26.073 4.176 -5.376 1.00 34.10 H new ATOM 272 N ILE A 19 19.966 11.944 -7.815 1.00 43.32 N ATOM 273 CA ILE A 19 20.006 13.178 -8.589 1.00 71.43 C ATOM 274 C ILE A 19 19.497 14.358 -7.768 1.00 51.25 C ATOM 275 O ILE A 19 18.471 14.262 -7.095 1.00 5.31 O ATOM 276 CB ILE A 19 19.169 13.063 -9.877 1.00 31.02 C ATOM 277 CG1 ILE A 19 19.624 11.857 -10.701 1.00 71.44 C ATOM 278 CG2 ILE A 19 19.278 14.342 -10.695 1.00 51.20 C ATOM 279 CD1 ILE A 19 18.689 11.515 -11.839 1.00 71.42 C ATOM 0 H ILE A 19 19.202 11.315 -8.064 1.00 43.32 H new ATOM 0 HA ILE A 19 21.048 13.348 -8.858 1.00 71.43 H new ATOM 0 HB ILE A 19 18.124 12.918 -9.602 1.00 31.02 H new ATOM 0 HG12 ILE A 19 20.617 12.057 -11.105 1.00 71.44 H new ATOM 0 HG13 ILE A 19 19.715 10.992 -10.044 1.00 71.44 H new ATOM 0 HG21 ILE A 19 18.681 14.246 -11.602 1.00 51.20 H new ATOM 0 HG22 ILE A 19 18.911 15.183 -10.106 1.00 51.20 H new ATOM 0 HG23 ILE A 19 20.320 14.515 -10.963 1.00 51.20 H new ATOM 0 HD11 ILE A 19 19.075 10.650 -12.379 1.00 71.42 H new ATOM 0 HD12 ILE A 19 17.701 11.283 -11.441 1.00 71.42 H new ATOM 0 HD13 ILE A 19 18.616 12.364 -12.518 1.00 71.42 H new ATOM 291 N ARG A 20 20.220 15.472 -7.832 1.00 63.23 N ATOM 292 CA ARG A 20 19.840 16.671 -7.096 1.00 21.13 C ATOM 293 C ARG A 20 18.920 17.555 -7.932 1.00 53.25 C ATOM 294 O ARG A 20 19.108 17.696 -9.141 1.00 42.45 O ATOM 295 CB ARG A 20 21.086 17.459 -6.685 1.00 3.22 C ATOM 296 CG ARG A 20 21.547 17.172 -5.264 1.00 41.12 C ATOM 297 CD ARG A 20 22.689 18.088 -4.854 1.00 45.30 C ATOM 298 NE ARG A 20 23.846 17.338 -4.371 1.00 5.44 N ATOM 299 CZ ARG A 20 23.901 16.764 -3.174 1.00 71.52 C ATOM 300 NH1 ARG A 20 22.873 16.854 -2.344 1.00 4.45 N ATOM 301 NH2 ARG A 20 24.989 16.099 -2.807 1.00 1.11 N ATOM 0 H ARG A 20 21.071 15.568 -8.386 1.00 63.23 H new ATOM 0 HA ARG A 20 19.302 16.361 -6.200 1.00 21.13 H new ATOM 0 HB2 ARG A 20 21.897 17.226 -7.375 1.00 3.22 H new ATOM 0 HB3 ARG A 20 20.880 18.525 -6.783 1.00 3.22 H new ATOM 0 HG2 ARG A 20 20.711 17.300 -4.576 1.00 41.12 H new ATOM 0 HG3 ARG A 20 21.867 16.133 -5.187 1.00 41.12 H new ATOM 0 HD2 ARG A 20 22.984 18.702 -5.705 1.00 45.30 H new ATOM 0 HD3 ARG A 20 22.346 18.768 -4.074 1.00 45.30 H new ATOM 0 HE ARG A 20 24.655 17.250 -4.986 1.00 5.44 H new ATOM 0 HH11 ARG A 20 22.036 17.365 -2.623 1.00 4.45 H new ATOM 0 HH12 ARG A 20 22.919 16.412 -1.426 1.00 4.45 H new ATOM 0 HH21 ARG A 20 25.783 16.029 -3.444 1.00 1.11 H new ATOM 0 HH22 ARG A 20 25.032 15.658 -1.888 1.00 1.11 H new ATOM 315 N LEU A 21 17.925 18.149 -7.281 1.00 52.54 N ATOM 316 CA LEU A 21 16.975 19.019 -7.966 1.00 12.41 C ATOM 317 C LEU A 21 17.682 20.226 -8.573 1.00 61.51 C ATOM 318 O LEU A 21 17.368 20.647 -9.686 1.00 65.53 O ATOM 319 CB LEU A 21 15.889 19.484 -6.994 1.00 21.42 C ATOM 320 CG LEU A 21 14.760 18.491 -6.723 1.00 2.42 C ATOM 321 CD1 LEU A 21 14.000 18.875 -5.463 1.00 35.15 C ATOM 322 CD2 LEU A 21 13.816 18.418 -7.914 1.00 42.32 C ATOM 0 H LEU A 21 17.755 18.044 -6.281 1.00 52.54 H new ATOM 0 HA LEU A 21 16.513 18.449 -8.772 1.00 12.41 H new ATOM 0 HB2 LEU A 21 16.362 19.733 -6.044 1.00 21.42 H new ATOM 0 HB3 LEU A 21 15.451 20.403 -7.383 1.00 21.42 H new ATOM 0 HG LEU A 21 15.200 17.505 -6.571 1.00 2.42 H new ATOM 0 HD11 LEU A 21 13.200 18.156 -5.287 1.00 35.15 H new ATOM 0 HD12 LEU A 21 14.682 18.875 -4.613 1.00 35.15 H new ATOM 0 HD13 LEU A 21 13.573 19.870 -5.585 1.00 35.15 H new ATOM 0 HD21 LEU A 21 13.018 17.706 -7.703 1.00 42.32 H new ATOM 0 HD22 LEU A 21 13.385 19.402 -8.097 1.00 42.32 H new ATOM 0 HD23 LEU A 21 14.368 18.094 -8.796 1.00 42.32 H new ATOM 334 N ARG A 22 18.640 20.777 -7.834 1.00 74.54 N ATOM 335 CA ARG A 22 19.392 21.936 -8.301 1.00 31.03 C ATOM 336 C ARG A 22 20.894 21.681 -8.210 1.00 42.30 C ATOM 337 O ARG A 22 21.367 20.895 -7.389 1.00 44.12 O ATOM 338 CB ARG A 22 19.025 23.173 -7.481 1.00 25.42 C ATOM 339 CG ARG A 22 17.908 24.001 -8.095 1.00 2.24 C ATOM 340 CD ARG A 22 18.294 25.468 -8.200 1.00 1.42 C ATOM 341 NE ARG A 22 17.127 26.332 -8.362 1.00 2.23 N ATOM 342 CZ ARG A 22 16.470 26.472 -9.508 1.00 11.12 C ATOM 343 NH1 ARG A 22 16.864 25.810 -10.587 1.00 2.40 N ATOM 344 NH2 ARG A 22 15.418 27.276 -9.577 1.00 21.50 N ATOM 0 H ARG A 22 18.913 20.440 -6.911 1.00 74.54 H new ATOM 0 HA ARG A 22 19.132 22.110 -9.345 1.00 31.03 H new ATOM 0 HB2 ARG A 22 18.726 22.860 -6.481 1.00 25.42 H new ATOM 0 HB3 ARG A 22 19.910 23.799 -7.368 1.00 25.42 H new ATOM 0 HG2 ARG A 22 17.670 23.615 -9.086 1.00 2.24 H new ATOM 0 HG3 ARG A 22 17.007 23.903 -7.490 1.00 2.24 H new ATOM 0 HD2 ARG A 22 18.842 25.763 -7.305 1.00 1.42 H new ATOM 0 HD3 ARG A 22 18.967 25.606 -9.046 1.00 1.42 H new ATOM 0 HE ARG A 22 16.799 26.856 -7.551 1.00 2.23 H new ATOM 0 HH11 ARG A 22 17.673 25.191 -10.538 1.00 2.40 H new ATOM 0 HH12 ARG A 22 16.358 25.919 -11.466 1.00 2.40 H new ATOM 0 HH21 ARG A 22 15.112 27.788 -8.749 1.00 21.50 H new ATOM 0 HH22 ARG A 22 14.914 27.383 -10.458 1.00 21.50 H new ATOM 358 N PRO A 23 21.663 22.359 -9.074 1.00 60.54 N ATOM 359 CA PRO A 23 23.122 22.224 -9.112 1.00 44.24 C ATOM 360 C PRO A 23 23.792 22.833 -7.887 1.00 15.44 C ATOM 361 O PRO A 23 24.824 22.346 -7.425 1.00 13.41 O ATOM 362 CB PRO A 23 23.518 22.993 -10.375 1.00 43.34 C ATOM 363 CG PRO A 23 22.420 23.980 -10.577 1.00 72.42 C ATOM 364 CD PRO A 23 21.167 23.313 -10.082 1.00 64.40 C ATOM 0 HA PRO A 23 23.434 21.180 -9.117 1.00 44.24 H new ATOM 0 HB2 PRO A 23 24.480 23.491 -10.250 1.00 43.34 H new ATOM 0 HB3 PRO A 23 23.613 22.326 -11.232 1.00 43.34 H new ATOM 0 HG2 PRO A 23 22.616 24.900 -10.026 1.00 72.42 H new ATOM 0 HG3 PRO A 23 22.328 24.252 -11.629 1.00 72.42 H new ATOM 0 HD2 PRO A 23 20.474 24.033 -9.647 1.00 64.40 H new ATOM 0 HD3 PRO A 23 20.636 22.806 -10.888 1.00 64.40 H new ATOM 372 N GLY A 24 23.200 23.900 -7.361 1.00 22.43 N ATOM 373 CA GLY A 24 23.754 24.558 -6.192 1.00 13.12 C ATOM 374 C GLY A 24 23.102 24.097 -4.903 1.00 53.55 C ATOM 375 O GLY A 24 23.781 23.871 -3.902 1.00 40.25 O ATOM 0 H GLY A 24 22.345 24.321 -7.724 1.00 22.43 H new ATOM 0 HA2 GLY A 24 24.825 24.364 -6.143 1.00 13.12 H new ATOM 0 HA3 GLY A 24 23.630 25.636 -6.293 1.00 13.12 H new ATOM 379 N GLY A 25 21.780 23.958 -4.928 1.00 14.43 N ATOM 380 CA GLY A 25 21.058 23.523 -3.746 1.00 41.10 C ATOM 381 C GLY A 25 21.496 22.152 -3.271 1.00 65.52 C ATOM 382 O GLY A 25 22.501 21.617 -3.737 1.00 55.34 O ATOM 0 H GLY A 25 21.196 24.139 -5.745 1.00 14.43 H new ATOM 0 HA2 GLY A 25 21.209 24.247 -2.945 1.00 41.10 H new ATOM 0 HA3 GLY A 25 19.990 23.505 -3.963 1.00 41.10 H new ATOM 386 N LYS A 26 20.739 21.582 -2.339 1.00 41.31 N ATOM 387 CA LYS A 26 21.053 20.264 -1.800 1.00 32.43 C ATOM 388 C LYS A 26 19.797 19.406 -1.692 1.00 22.21 C ATOM 389 O LYS A 26 19.711 18.515 -0.848 1.00 31.04 O ATOM 390 CB LYS A 26 21.712 20.398 -0.424 1.00 4.31 C ATOM 391 CG LYS A 26 23.065 19.715 -0.329 1.00 72.04 C ATOM 392 CD LYS A 26 24.064 20.562 0.444 1.00 43.34 C ATOM 393 CE LYS A 26 25.145 19.705 1.082 1.00 12.43 C ATOM 394 NZ LYS A 26 25.297 19.993 2.535 1.00 44.24 N ATOM 0 H LYS A 26 19.904 22.012 -1.941 1.00 41.31 H new ATOM 0 HA LYS A 26 21.747 19.775 -2.484 1.00 32.43 H new ATOM 0 HB2 LYS A 26 21.831 21.456 -0.189 1.00 4.31 H new ATOM 0 HB3 LYS A 26 21.048 19.976 0.330 1.00 4.31 H new ATOM 0 HG2 LYS A 26 22.952 18.747 0.160 1.00 72.04 H new ATOM 0 HG3 LYS A 26 23.448 19.523 -1.331 1.00 72.04 H new ATOM 0 HD2 LYS A 26 24.523 21.288 -0.227 1.00 43.34 H new ATOM 0 HD3 LYS A 26 23.543 21.127 1.217 1.00 43.34 H new ATOM 0 HE2 LYS A 26 24.901 18.652 0.944 1.00 12.43 H new ATOM 0 HE3 LYS A 26 26.094 19.881 0.576 1.00 12.43 H new ATOM 0 HZ1 LYS A 26 26.044 19.388 2.933 1.00 44.24 H new ATOM 0 HZ2 LYS A 26 25.555 20.992 2.666 1.00 44.24 H new ATOM 0 HZ3 LYS A 26 24.399 19.800 3.023 1.00 44.24 H new ATOM 408 N LYS A 27 18.824 19.681 -2.554 1.00 42.44 N ATOM 409 CA LYS A 27 17.572 18.932 -2.559 1.00 4.04 C ATOM 410 C LYS A 27 17.646 17.754 -3.525 1.00 22.35 C ATOM 411 O LYS A 27 18.272 17.842 -4.581 1.00 24.51 O ATOM 412 CB LYS A 27 16.408 19.848 -2.943 1.00 13.23 C ATOM 413 CG LYS A 27 16.086 20.897 -1.892 1.00 54.14 C ATOM 414 CD LYS A 27 14.587 21.063 -1.710 1.00 53.31 C ATOM 415 CE LYS A 27 13.973 19.859 -1.011 1.00 74.35 C ATOM 416 NZ LYS A 27 12.678 20.197 -0.359 1.00 73.23 N ATOM 0 H LYS A 27 18.878 20.417 -3.258 1.00 42.44 H new ATOM 0 HA LYS A 27 17.405 18.544 -1.554 1.00 4.04 H new ATOM 0 HB2 LYS A 27 16.645 20.348 -3.882 1.00 13.23 H new ATOM 0 HB3 LYS A 27 15.521 19.240 -3.120 1.00 13.23 H new ATOM 0 HG2 LYS A 27 16.539 20.613 -0.942 1.00 54.14 H new ATOM 0 HG3 LYS A 27 16.526 21.851 -2.182 1.00 54.14 H new ATOM 0 HD2 LYS A 27 14.388 21.963 -1.129 1.00 53.31 H new ATOM 0 HD3 LYS A 27 14.114 21.200 -2.683 1.00 53.31 H new ATOM 0 HE2 LYS A 27 13.817 19.059 -1.735 1.00 74.35 H new ATOM 0 HE3 LYS A 27 14.669 19.480 -0.262 1.00 74.35 H new ATOM 0 HZ1 LYS A 27 12.292 19.351 0.106 1.00 73.23 H new ATOM 0 HZ2 LYS A 27 12.830 20.942 0.350 1.00 73.23 H new ATOM 0 HZ3 LYS A 27 12.006 20.535 -1.077 1.00 73.23 H new ATOM 430 N LYS A 28 17.002 16.652 -3.156 1.00 51.45 N ATOM 431 CA LYS A 28 16.991 15.456 -3.991 1.00 15.11 C ATOM 432 C LYS A 28 15.595 15.192 -4.546 1.00 50.01 C ATOM 433 O LYS A 28 14.593 15.473 -3.889 1.00 2.14 O ATOM 434 CB LYS A 28 17.471 14.245 -3.188 1.00 1.22 C ATOM 435 CG LYS A 28 18.718 14.515 -2.365 1.00 30.22 C ATOM 436 CD LYS A 28 19.478 13.233 -2.066 1.00 23.33 C ATOM 437 CE LYS A 28 18.623 12.249 -1.284 1.00 13.25 C ATOM 438 NZ LYS A 28 19.236 11.903 0.029 1.00 11.21 N ATOM 0 H LYS A 28 16.481 16.562 -2.284 1.00 51.45 H new ATOM 0 HA LYS A 28 17.669 15.621 -4.828 1.00 15.11 H new ATOM 0 HB2 LYS A 28 16.671 13.920 -2.523 1.00 1.22 H new ATOM 0 HB3 LYS A 28 17.670 13.421 -3.873 1.00 1.22 H new ATOM 0 HG2 LYS A 28 19.367 15.207 -2.902 1.00 30.22 H new ATOM 0 HG3 LYS A 28 18.440 15.000 -1.430 1.00 30.22 H new ATOM 0 HD2 LYS A 28 19.801 12.774 -3.000 1.00 23.33 H new ATOM 0 HD3 LYS A 28 20.378 13.466 -1.498 1.00 23.33 H new ATOM 0 HE2 LYS A 28 17.634 12.677 -1.122 1.00 13.25 H new ATOM 0 HE3 LYS A 28 18.485 11.341 -1.871 1.00 13.25 H new ATOM 0 HZ1 LYS A 28 18.623 11.230 0.532 1.00 11.21 H new ATOM 0 HZ2 LYS A 28 20.169 11.472 -0.127 1.00 11.21 H new ATOM 0 HZ3 LYS A 28 19.344 12.766 0.600 1.00 11.21 H new ATOM 452 N TYR A 29 15.538 14.649 -5.757 1.00 64.42 N ATOM 453 CA TYR A 29 14.265 14.348 -6.400 1.00 44.52 C ATOM 454 C TYR A 29 13.432 13.399 -5.543 1.00 34.02 C ATOM 455 O TYR A 29 13.972 12.533 -4.853 1.00 4.24 O ATOM 456 CB TYR A 29 14.499 13.733 -7.781 1.00 0.21 C ATOM 457 CG TYR A 29 14.621 14.756 -8.887 1.00 1.33 C ATOM 458 CD1 TYR A 29 15.847 15.330 -9.198 1.00 35.13 C ATOM 459 CD2 TYR A 29 13.509 15.149 -9.621 1.00 71.14 C ATOM 460 CE1 TYR A 29 15.963 16.266 -10.207 1.00 42.02 C ATOM 461 CE2 TYR A 29 13.615 16.083 -10.634 1.00 33.41 C ATOM 462 CZ TYR A 29 14.843 16.639 -10.923 1.00 14.33 C ATOM 463 OH TYR A 29 14.954 17.571 -11.929 1.00 52.42 O ATOM 0 H TYR A 29 16.359 14.408 -6.313 1.00 64.42 H new ATOM 0 HA TYR A 29 13.716 15.282 -6.514 1.00 44.52 H new ATOM 0 HB2 TYR A 29 15.408 13.131 -7.752 1.00 0.21 H new ATOM 0 HB3 TYR A 29 13.676 13.057 -8.012 1.00 0.21 H new ATOM 0 HD1 TYR A 29 16.725 15.039 -8.641 1.00 35.13 H new ATOM 0 HD2 TYR A 29 12.545 14.717 -9.396 1.00 71.14 H new ATOM 0 HE1 TYR A 29 16.924 16.703 -10.434 1.00 42.02 H new ATOM 0 HE2 TYR A 29 12.741 16.376 -11.196 1.00 33.41 H new ATOM 0 HH TYR A 29 15.791 18.069 -11.822 1.00 52.42 H new ATOM 473 N ARG A 30 12.116 13.567 -5.592 1.00 63.14 N ATOM 474 CA ARG A 30 11.207 12.727 -4.821 1.00 72.41 C ATOM 475 C ARG A 30 9.982 12.348 -5.648 1.00 73.53 C ATOM 476 O ARG A 30 9.683 12.982 -6.662 1.00 14.24 O ATOM 477 CB ARG A 30 10.772 13.449 -3.544 1.00 64.22 C ATOM 478 CG ARG A 30 10.827 12.576 -2.302 1.00 54.21 C ATOM 479 CD ARG A 30 9.682 12.886 -1.350 1.00 51.24 C ATOM 480 NE ARG A 30 10.048 13.901 -0.367 1.00 24.14 N ATOM 481 CZ ARG A 30 10.755 13.644 0.727 1.00 34.13 C ATOM 482 NH1 ARG A 30 11.172 12.410 0.976 1.00 72.34 N ATOM 483 NH2 ARG A 30 11.048 14.621 1.575 1.00 31.33 N ATOM 0 H ARG A 30 11.654 14.278 -6.158 1.00 63.14 H new ATOM 0 HA ARG A 30 11.737 11.813 -4.551 1.00 72.41 H new ATOM 0 HB2 ARG A 30 11.410 14.320 -3.394 1.00 64.22 H new ATOM 0 HB3 ARG A 30 9.754 13.818 -3.674 1.00 64.22 H new ATOM 0 HG2 ARG A 30 10.786 11.526 -2.592 1.00 54.21 H new ATOM 0 HG3 ARG A 30 11.778 12.728 -1.791 1.00 54.21 H new ATOM 0 HD2 ARG A 30 8.819 13.228 -1.921 1.00 51.24 H new ATOM 0 HD3 ARG A 30 9.382 11.974 -0.835 1.00 51.24 H new ATOM 0 HE ARG A 30 9.744 14.861 -0.530 1.00 24.14 H new ATOM 0 HH11 ARG A 30 10.950 11.656 0.326 1.00 72.34 H new ATOM 0 HH12 ARG A 30 11.715 12.215 1.817 1.00 72.34 H new ATOM 0 HH21 ARG A 30 10.730 15.572 1.387 1.00 31.33 H new ATOM 0 HH22 ARG A 30 11.591 14.421 2.415 1.00 31.33 H new ATOM 497 N LEU A 31 9.276 11.312 -5.210 1.00 33.33 N ATOM 498 CA LEU A 31 8.084 10.848 -5.908 1.00 64.25 C ATOM 499 C LEU A 31 7.180 12.019 -6.281 1.00 13.11 C ATOM 500 O LEU A 31 6.626 12.066 -7.379 1.00 51.10 O ATOM 501 CB LEU A 31 7.314 9.851 -5.040 1.00 1.10 C ATOM 502 CG LEU A 31 8.095 8.620 -4.579 1.00 23.10 C ATOM 503 CD1 LEU A 31 7.700 8.237 -3.161 1.00 72.11 C ATOM 504 CD2 LEU A 31 7.865 7.456 -5.531 1.00 42.42 C ATOM 0 H LEU A 31 9.509 10.777 -4.373 1.00 33.33 H new ATOM 0 HA LEU A 31 8.402 10.351 -6.825 1.00 64.25 H new ATOM 0 HB2 LEU A 31 6.947 10.375 -4.158 1.00 1.10 H new ATOM 0 HB3 LEU A 31 6.440 9.514 -5.597 1.00 1.10 H new ATOM 0 HG LEU A 31 9.157 8.864 -4.585 1.00 23.10 H new ATOM 0 HD11 LEU A 31 8.266 7.359 -2.850 1.00 72.11 H new ATOM 0 HD12 LEU A 31 7.916 9.066 -2.487 1.00 72.11 H new ATOM 0 HD13 LEU A 31 6.634 8.012 -3.129 1.00 72.11 H new ATOM 0 HD21 LEU A 31 8.428 6.588 -5.188 1.00 42.42 H new ATOM 0 HD22 LEU A 31 6.803 7.212 -5.557 1.00 42.42 H new ATOM 0 HD23 LEU A 31 8.199 7.733 -6.531 1.00 42.42 H new ATOM 516 N LYS A 32 7.038 12.966 -5.359 1.00 41.24 N ATOM 517 CA LYS A 32 6.205 14.140 -5.590 1.00 4.35 C ATOM 518 C LYS A 32 6.514 14.769 -6.944 1.00 42.33 C ATOM 519 O LYS A 32 5.613 15.223 -7.650 1.00 0.41 O ATOM 520 CB LYS A 32 6.418 15.168 -4.477 1.00 52.04 C ATOM 521 CG LYS A 32 5.166 15.457 -3.667 1.00 13.50 C ATOM 522 CD LYS A 32 5.341 15.062 -2.211 1.00 10.24 C ATOM 523 CE LYS A 32 5.885 16.215 -1.381 1.00 10.32 C ATOM 524 NZ LYS A 32 5.045 16.479 -0.181 1.00 34.12 N ATOM 0 H LYS A 32 7.489 12.943 -4.445 1.00 41.24 H new ATOM 0 HA LYS A 32 5.163 13.821 -5.587 1.00 4.35 H new ATOM 0 HB2 LYS A 32 7.199 14.809 -3.807 1.00 52.04 H new ATOM 0 HB3 LYS A 32 6.778 16.098 -4.917 1.00 52.04 H new ATOM 0 HG2 LYS A 32 4.927 16.519 -3.731 1.00 13.50 H new ATOM 0 HG3 LYS A 32 4.322 14.914 -4.093 1.00 13.50 H new ATOM 0 HD2 LYS A 32 4.383 14.739 -1.803 1.00 10.24 H new ATOM 0 HD3 LYS A 32 6.019 14.212 -2.143 1.00 10.24 H new ATOM 0 HE2 LYS A 32 6.904 15.988 -1.068 1.00 10.32 H new ATOM 0 HE3 LYS A 32 5.933 17.114 -1.996 1.00 10.32 H new ATOM 0 HZ1 LYS A 32 5.449 17.271 0.358 1.00 34.12 H new ATOM 0 HZ2 LYS A 32 4.079 16.721 -0.480 1.00 34.12 H new ATOM 0 HZ3 LYS A 32 5.020 15.630 0.419 1.00 34.12 H new ATOM 538 N HIS A 33 7.794 14.791 -7.303 1.00 72.00 N ATOM 539 CA HIS A 33 8.223 15.363 -8.575 1.00 62.11 C ATOM 540 C HIS A 33 7.817 14.463 -9.738 1.00 40.21 C ATOM 541 O HIS A 33 7.468 15.012 -10.784 1.00 3.05 O ATOM 542 CB HIS A 33 9.737 15.570 -8.581 1.00 72.53 C ATOM 543 CG HIS A 33 10.216 16.519 -7.524 1.00 71.21 C ATOM 544 ND1 HIS A 33 10.941 16.115 -6.423 1.00 25.01 N ATOM 545 CD2 HIS A 33 10.071 17.859 -7.406 1.00 50.02 C ATOM 546 CE1 HIS A 33 11.219 17.167 -5.673 1.00 12.32 C ATOM 547 NE2 HIS A 33 10.703 18.238 -6.249 1.00 20.24 N ATOM 0 H HIS A 33 8.552 14.419 -6.731 1.00 72.00 H new ATOM 0 HA HIS A 33 7.732 16.329 -8.695 1.00 62.11 H new ATOM 0 HB2 HIS A 33 10.228 14.607 -8.442 1.00 72.53 H new ATOM 0 HB3 HIS A 33 10.040 15.945 -9.559 1.00 72.53 H new ATOM 0 HD2 HIS A 33 9.553 18.510 -8.095 1.00 50.02 H new ATOM 0 HE1 HIS A 33 11.774 17.153 -4.747 1.00 12.32 H new ATOM 0 HE2 HIS A 33 10.764 19.191 -5.892 1.00 20.24 H new ATOM 555 N ILE A 34 7.851 13.143 -9.591 1.00 41.15 N ATOM 556 CA ILE A 34 7.471 12.243 -10.673 1.00 71.13 C ATOM 557 C ILE A 34 5.995 12.397 -11.024 1.00 63.21 C ATOM 558 O ILE A 34 5.623 12.417 -12.197 1.00 54.13 O ATOM 559 CB ILE A 34 7.751 10.774 -10.309 1.00 44.13 C ATOM 560 CG1 ILE A 34 9.235 10.576 -9.995 1.00 50.20 C ATOM 561 CG2 ILE A 34 7.316 9.856 -11.441 1.00 52.45 C ATOM 562 CD1 ILE A 34 9.591 9.153 -9.625 1.00 24.15 C ATOM 0 H ILE A 34 8.138 12.673 -8.733 1.00 41.15 H new ATOM 0 HA ILE A 34 8.077 12.515 -11.537 1.00 71.13 H new ATOM 0 HB ILE A 34 7.175 10.520 -9.419 1.00 44.13 H new ATOM 0 HG12 ILE A 34 9.824 10.875 -10.862 1.00 50.20 H new ATOM 0 HG13 ILE A 34 9.516 11.237 -9.175 1.00 50.20 H new ATOM 0 HG21 ILE A 34 7.520 8.821 -11.169 1.00 52.45 H new ATOM 0 HG22 ILE A 34 6.248 9.980 -11.620 1.00 52.45 H new ATOM 0 HG23 ILE A 34 7.867 10.109 -12.347 1.00 52.45 H new ATOM 0 HD11 ILE A 34 10.659 9.088 -9.416 1.00 24.15 H new ATOM 0 HD12 ILE A 34 9.029 8.856 -8.740 1.00 24.15 H new ATOM 0 HD13 ILE A 34 9.342 8.489 -10.453 1.00 24.15 H new ATOM 574 N VAL A 35 5.158 12.509 -9.997 1.00 42.42 N ATOM 575 CA VAL A 35 3.722 12.664 -10.196 1.00 1.03 C ATOM 576 C VAL A 35 3.417 13.859 -11.092 1.00 52.33 C ATOM 577 O VAL A 35 2.779 13.718 -12.136 1.00 34.15 O ATOM 578 CB VAL A 35 2.986 12.841 -8.855 1.00 21.51 C ATOM 579 CG1 VAL A 35 1.498 13.055 -9.086 1.00 63.43 C ATOM 580 CG2 VAL A 35 3.226 11.640 -7.953 1.00 4.50 C ATOM 0 H VAL A 35 5.450 12.495 -9.020 1.00 42.42 H new ATOM 0 HA VAL A 35 3.369 11.753 -10.679 1.00 1.03 H new ATOM 0 HB VAL A 35 3.383 13.726 -8.357 1.00 21.51 H new ATOM 0 HG11 VAL A 35 0.995 13.178 -8.127 1.00 63.43 H new ATOM 0 HG12 VAL A 35 1.349 13.949 -9.691 1.00 63.43 H new ATOM 0 HG13 VAL A 35 1.083 12.191 -9.605 1.00 63.43 H new ATOM 0 HG21 VAL A 35 2.699 11.782 -7.010 1.00 4.50 H new ATOM 0 HG22 VAL A 35 2.858 10.738 -8.442 1.00 4.50 H new ATOM 0 HG23 VAL A 35 4.294 11.538 -7.760 1.00 4.50 H new ATOM 590 N TRP A 36 3.877 15.033 -10.679 1.00 25.53 N ATOM 591 CA TRP A 36 3.654 16.254 -11.445 1.00 24.35 C ATOM 592 C TRP A 36 3.957 16.033 -12.922 1.00 72.20 C ATOM 593 O TRP A 36 3.238 16.521 -13.793 1.00 74.21 O ATOM 594 CB TRP A 36 4.520 17.390 -10.897 1.00 73.43 C ATOM 595 CG TRP A 36 4.255 18.710 -11.556 1.00 64.41 C ATOM 596 CD1 TRP A 36 3.242 19.580 -11.268 1.00 42.13 C ATOM 597 CD2 TRP A 36 5.011 19.308 -12.614 1.00 12.44 C ATOM 598 NE1 TRP A 36 3.324 20.683 -12.084 1.00 2.13 N ATOM 599 CE2 TRP A 36 4.401 20.541 -12.917 1.00 74.13 C ATOM 600 CE3 TRP A 36 6.146 18.923 -13.333 1.00 35.34 C ATOM 601 CZ2 TRP A 36 4.889 21.388 -13.909 1.00 1.40 C ATOM 602 CZ3 TRP A 36 6.629 19.764 -14.317 1.00 23.41 C ATOM 603 CH2 TRP A 36 6.002 20.986 -14.597 1.00 62.10 C ATOM 0 H TRP A 36 4.407 15.166 -9.818 1.00 25.53 H new ATOM 0 HA TRP A 36 2.604 16.528 -11.347 1.00 24.35 H new ATOM 0 HB2 TRP A 36 4.346 17.486 -9.825 1.00 73.43 H new ATOM 0 HB3 TRP A 36 5.571 17.131 -11.027 1.00 73.43 H new ATOM 0 HD1 TRP A 36 2.488 19.424 -10.511 1.00 42.13 H new ATOM 0 HE1 TRP A 36 2.686 21.479 -12.071 1.00 2.13 H new ATOM 0 HE3 TRP A 36 6.637 17.984 -13.123 1.00 35.34 H new ATOM 0 HZ2 TRP A 36 4.406 22.329 -14.128 1.00 1.40 H new ATOM 0 HZ3 TRP A 36 7.504 19.475 -14.880 1.00 23.41 H new ATOM 0 HH2 TRP A 36 6.405 21.623 -15.371 1.00 62.10 H new ATOM 614 N ALA A 37 5.027 15.293 -13.198 1.00 74.30 N ATOM 615 CA ALA A 37 5.424 15.006 -14.570 1.00 42.42 C ATOM 616 C ALA A 37 4.398 14.115 -15.263 1.00 31.20 C ATOM 617 O ALA A 37 3.842 14.483 -16.298 1.00 3.35 O ATOM 618 CB ALA A 37 6.798 14.351 -14.596 1.00 64.11 C ATOM 0 H ALA A 37 5.634 14.882 -12.489 1.00 74.30 H new ATOM 0 HA ALA A 37 5.473 15.950 -15.113 1.00 42.42 H new ATOM 0 HB1 ALA A 37 7.082 14.142 -15.627 1.00 64.11 H new ATOM 0 HB2 ALA A 37 7.530 15.023 -14.147 1.00 64.11 H new ATOM 0 HB3 ALA A 37 6.767 13.419 -14.032 1.00 64.11 H new ATOM 624 N ALA A 38 4.154 12.943 -14.687 1.00 24.25 N ATOM 625 CA ALA A 38 3.193 12.002 -15.249 1.00 53.30 C ATOM 626 C ALA A 38 1.851 12.677 -15.511 1.00 51.51 C ATOM 627 O ALA A 38 1.171 12.367 -16.487 1.00 61.24 O ATOM 628 CB ALA A 38 3.015 10.811 -14.318 1.00 23.24 C ATOM 0 H ALA A 38 4.608 12.622 -13.832 1.00 24.25 H new ATOM 0 HA ALA A 38 3.584 11.648 -16.203 1.00 53.30 H new ATOM 0 HB1 ALA A 38 2.295 10.116 -14.750 1.00 23.24 H new ATOM 0 HB2 ALA A 38 3.972 10.306 -14.186 1.00 23.24 H new ATOM 0 HB3 ALA A 38 2.651 11.157 -13.351 1.00 23.24 H new ATOM 634 N ASN A 39 1.476 13.599 -14.631 1.00 23.11 N ATOM 635 CA ASN A 39 0.214 14.316 -14.767 1.00 21.11 C ATOM 636 C ASN A 39 0.298 15.358 -15.878 1.00 65.21 C ATOM 637 O ASN A 39 -0.561 15.413 -16.760 1.00 54.21 O ATOM 638 CB ASN A 39 -0.157 14.992 -13.445 1.00 25.43 C ATOM 639 CG ASN A 39 -1.036 14.115 -12.574 1.00 34.45 C ATOM 640 OD1 ASN A 39 -0.711 12.956 -12.314 1.00 33.52 O ATOM 641 ND2 ASN A 39 -2.155 14.665 -12.118 1.00 34.32 N ATOM 0 H ASN A 39 2.028 13.867 -13.816 1.00 23.11 H new ATOM 0 HA ASN A 39 -0.560 13.594 -15.028 1.00 21.11 H new ATOM 0 HB2 ASN A 39 0.753 15.244 -12.901 1.00 25.43 H new ATOM 0 HB3 ASN A 39 -0.674 15.929 -13.652 1.00 25.43 H new ATOM 0 HD21 ASN A 39 -2.785 14.123 -11.527 1.00 34.32 H new ATOM 0 HD22 ASN A 39 -2.384 15.629 -12.359 1.00 34.32 H new ATOM 648 N LYS A 40 1.336 16.184 -15.830 1.00 33.42 N ATOM 649 CA LYS A 40 1.535 17.224 -16.832 1.00 62.33 C ATOM 650 C LYS A 40 1.392 16.657 -18.241 1.00 2.32 C ATOM 651 O LYS A 40 0.925 17.341 -19.153 1.00 31.05 O ATOM 652 CB LYS A 40 2.916 17.865 -16.667 1.00 3.42 C ATOM 653 CG LYS A 40 2.920 19.072 -15.746 1.00 23.03 C ATOM 654 CD LYS A 40 2.241 20.268 -16.392 1.00 5.03 C ATOM 655 CE LYS A 40 2.062 21.409 -15.401 1.00 40.14 C ATOM 656 NZ LYS A 40 0.833 22.201 -15.685 1.00 21.54 N ATOM 0 H LYS A 40 2.054 16.154 -15.106 1.00 33.42 H new ATOM 0 HA LYS A 40 0.768 17.985 -16.685 1.00 62.33 H new ATOM 0 HB2 LYS A 40 3.609 17.119 -16.278 1.00 3.42 H new ATOM 0 HB3 LYS A 40 3.287 18.165 -17.647 1.00 3.42 H new ATOM 0 HG2 LYS A 40 2.411 18.822 -14.815 1.00 23.03 H new ATOM 0 HG3 LYS A 40 3.947 19.331 -15.488 1.00 23.03 H new ATOM 0 HD2 LYS A 40 2.834 20.611 -17.240 1.00 5.03 H new ATOM 0 HD3 LYS A 40 1.269 19.968 -16.783 1.00 5.03 H new ATOM 0 HE2 LYS A 40 2.009 21.007 -14.389 1.00 40.14 H new ATOM 0 HE3 LYS A 40 2.933 22.063 -15.439 1.00 40.14 H new ATOM 0 HZ1 LYS A 40 0.746 22.969 -14.989 1.00 21.54 H new ATOM 0 HZ2 LYS A 40 0.894 22.606 -16.641 1.00 21.54 H new ATOM 0 HZ3 LYS A 40 -0.001 21.582 -15.624 1.00 21.54 H new ATOM 670 N LEU A 41 1.796 15.403 -18.412 1.00 24.34 N ATOM 671 CA LEU A 41 1.711 14.743 -19.710 1.00 40.22 C ATOM 672 C LEU A 41 0.257 14.560 -20.134 1.00 10.03 C ATOM 673 O LEU A 41 -0.201 15.176 -21.096 1.00 74.41 O ATOM 674 CB LEU A 41 2.414 13.384 -19.659 1.00 43.14 C ATOM 675 CG LEU A 41 3.942 13.419 -19.660 1.00 75.30 C ATOM 676 CD1 LEU A 41 4.507 12.058 -19.288 1.00 2.31 C ATOM 677 CD2 LEU A 41 4.465 13.862 -21.019 1.00 53.24 C ATOM 0 H LEU A 41 2.185 14.823 -17.669 1.00 24.34 H new ATOM 0 HA LEU A 41 2.208 15.376 -20.446 1.00 40.22 H new ATOM 0 HB2 LEU A 41 2.083 12.860 -18.763 1.00 43.14 H new ATOM 0 HB3 LEU A 41 2.083 12.794 -20.514 1.00 43.14 H new ATOM 0 HG LEU A 41 4.270 14.142 -18.913 1.00 75.30 H new ATOM 0 HD11 LEU A 41 5.596 12.102 -19.294 1.00 2.31 H new ATOM 0 HD12 LEU A 41 4.161 11.780 -18.293 1.00 2.31 H new ATOM 0 HD13 LEU A 41 4.170 11.314 -20.010 1.00 2.31 H new ATOM 0 HD21 LEU A 41 5.555 13.881 -21.001 1.00 53.24 H new ATOM 0 HD22 LEU A 41 4.127 13.163 -21.784 1.00 53.24 H new ATOM 0 HD23 LEU A 41 4.088 14.859 -21.246 1.00 53.24 H new ATOM 689 N ASP A 42 -0.464 13.713 -19.408 1.00 53.54 N ATOM 690 CA ASP A 42 -1.867 13.451 -19.708 1.00 51.20 C ATOM 691 C ASP A 42 -2.609 14.750 -20.006 1.00 3.44 C ATOM 692 O ASP A 42 -3.400 14.822 -20.947 1.00 24.41 O ATOM 693 CB ASP A 42 -2.533 12.725 -18.538 1.00 41.34 C ATOM 694 CG ASP A 42 -3.955 12.303 -18.853 1.00 32.23 C ATOM 695 OD1 ASP A 42 -4.146 11.527 -19.812 1.00 74.21 O ATOM 696 OD2 ASP A 42 -4.877 12.750 -18.139 1.00 2.53 O ATOM 0 H ASP A 42 -0.100 13.196 -18.607 1.00 53.54 H new ATOM 0 HA ASP A 42 -1.913 12.816 -20.593 1.00 51.20 H new ATOM 0 HB2 ASP A 42 -1.945 11.845 -18.278 1.00 41.34 H new ATOM 0 HB3 ASP A 42 -2.535 13.376 -17.664 1.00 41.34 H new ATOM 701 N ARG A 43 -2.350 15.773 -19.198 1.00 65.23 N ATOM 702 CA ARG A 43 -2.996 17.068 -19.374 1.00 21.51 C ATOM 703 C ARG A 43 -2.641 17.672 -20.729 1.00 24.41 C ATOM 704 O ARG A 43 -3.521 17.974 -21.536 1.00 32.43 O ATOM 705 CB ARG A 43 -2.582 18.024 -18.252 1.00 45.15 C ATOM 706 CG ARG A 43 -3.607 18.132 -17.136 1.00 1.32 C ATOM 707 CD ARG A 43 -3.132 19.063 -16.032 1.00 32.44 C ATOM 708 NE ARG A 43 -4.228 19.844 -15.465 1.00 63.42 N ATOM 709 CZ ARG A 43 -4.074 20.720 -14.479 1.00 20.21 C ATOM 710 NH1 ARG A 43 -2.874 20.926 -13.953 1.00 74.00 N ATOM 711 NH2 ARG A 43 -5.120 21.393 -14.017 1.00 52.30 N ATOM 0 H ARG A 43 -1.697 15.730 -18.415 1.00 65.23 H new ATOM 0 HA ARG A 43 -4.075 16.917 -19.334 1.00 21.51 H new ATOM 0 HB2 ARG A 43 -1.634 17.689 -17.832 1.00 45.15 H new ATOM 0 HB3 ARG A 43 -2.411 19.014 -18.674 1.00 45.15 H new ATOM 0 HG2 ARG A 43 -4.550 18.498 -17.541 1.00 1.32 H new ATOM 0 HG3 ARG A 43 -3.800 17.143 -16.721 1.00 1.32 H new ATOM 0 HD2 ARG A 43 -2.658 18.478 -15.244 1.00 32.44 H new ATOM 0 HD3 ARG A 43 -2.373 19.738 -16.428 1.00 32.44 H new ATOM 0 HE ARG A 43 -5.164 19.709 -15.848 1.00 63.42 H new ATOM 0 HH11 ARG A 43 -2.067 20.411 -14.306 1.00 74.00 H new ATOM 0 HH12 ARG A 43 -2.758 21.599 -13.196 1.00 74.00 H new ATOM 0 HH21 ARG A 43 -6.044 21.238 -14.419 1.00 52.30 H new ATOM 0 HH22 ARG A 43 -5.000 22.065 -13.260 1.00 52.30 H new ATOM 725 N PHE A 44 -1.347 17.848 -20.972 1.00 55.10 N ATOM 726 CA PHE A 44 -0.876 18.418 -22.229 1.00 33.30 C ATOM 727 C PHE A 44 -1.391 17.614 -23.418 1.00 44.44 C ATOM 728 O PHE A 44 -1.820 18.178 -24.425 1.00 35.02 O ATOM 729 CB PHE A 44 0.654 18.460 -22.253 1.00 33.45 C ATOM 730 CG PHE A 44 1.228 19.708 -21.645 1.00 33.11 C ATOM 731 CD1 PHE A 44 0.847 20.958 -22.106 1.00 52.24 C ATOM 732 CD2 PHE A 44 2.150 19.631 -20.613 1.00 2.41 C ATOM 733 CE1 PHE A 44 1.376 22.107 -21.549 1.00 64.11 C ATOM 734 CE2 PHE A 44 2.681 20.776 -20.052 1.00 72.53 C ATOM 735 CZ PHE A 44 2.293 22.016 -20.520 1.00 63.45 C ATOM 0 H PHE A 44 -0.606 17.604 -20.315 1.00 55.10 H new ATOM 0 HA PHE A 44 -1.263 19.434 -22.305 1.00 33.30 H new ATOM 0 HB2 PHE A 44 1.042 17.593 -21.718 1.00 33.45 H new ATOM 0 HB3 PHE A 44 0.996 18.377 -23.285 1.00 33.45 H new ATOM 0 HD1 PHE A 44 0.129 21.035 -22.909 1.00 52.24 H new ATOM 0 HD2 PHE A 44 2.457 18.664 -20.243 1.00 2.41 H new ATOM 0 HE1 PHE A 44 1.073 23.076 -21.918 1.00 64.11 H new ATOM 0 HE2 PHE A 44 3.399 20.702 -19.248 1.00 72.53 H new ATOM 0 HZ PHE A 44 2.706 22.913 -20.082 1.00 63.45 H new ATOM 745 N GLY A 45 -1.347 16.291 -23.295 1.00 52.14 N ATOM 746 CA GLY A 45 -1.811 15.429 -24.367 1.00 24.30 C ATOM 747 C GLY A 45 -0.999 14.154 -24.480 1.00 64.30 C ATOM 748 O GLY A 45 -1.371 13.235 -25.212 1.00 30.24 O ATOM 0 H GLY A 45 -0.998 15.800 -22.472 1.00 52.14 H new ATOM 0 HA2 GLY A 45 -2.858 15.176 -24.198 1.00 24.30 H new ATOM 0 HA3 GLY A 45 -1.763 15.971 -25.311 1.00 24.30 H new ATOM 752 N LEU A 46 0.114 14.098 -23.757 1.00 61.12 N ATOM 753 CA LEU A 46 0.983 12.927 -23.781 1.00 1.43 C ATOM 754 C LEU A 46 0.560 11.914 -22.721 1.00 41.02 C ATOM 755 O LEU A 46 -0.037 12.274 -21.708 1.00 41.11 O ATOM 756 CB LEU A 46 2.437 13.342 -23.554 1.00 1.33 C ATOM 757 CG LEU A 46 3.194 13.838 -24.787 1.00 21.32 C ATOM 758 CD1 LEU A 46 3.896 15.154 -24.488 1.00 61.13 C ATOM 759 CD2 LEU A 46 4.194 12.792 -25.256 1.00 32.25 C ATOM 0 H LEU A 46 0.436 14.850 -23.147 1.00 61.12 H new ATOM 0 HA LEU A 46 0.894 12.459 -24.761 1.00 1.43 H new ATOM 0 HB2 LEU A 46 2.456 14.129 -22.800 1.00 1.33 H new ATOM 0 HB3 LEU A 46 2.976 12.490 -23.139 1.00 1.33 H new ATOM 0 HG LEU A 46 2.474 14.007 -25.588 1.00 21.32 H new ATOM 0 HD11 LEU A 46 4.429 15.492 -25.376 1.00 61.13 H new ATOM 0 HD12 LEU A 46 3.158 15.903 -24.201 1.00 61.13 H new ATOM 0 HD13 LEU A 46 4.604 15.011 -23.672 1.00 61.13 H new ATOM 0 HD21 LEU A 46 4.723 13.162 -26.134 1.00 32.25 H new ATOM 0 HD22 LEU A 46 4.910 12.590 -24.459 1.00 32.25 H new ATOM 0 HD23 LEU A 46 3.666 11.873 -25.511 1.00 32.25 H new ATOM 771 N ALA A 47 0.876 10.645 -22.963 1.00 75.54 N ATOM 772 CA ALA A 47 0.533 9.581 -22.029 1.00 13.13 C ATOM 773 C ALA A 47 1.400 9.651 -20.776 1.00 12.34 C ATOM 774 O ALA A 47 2.270 10.513 -20.660 1.00 13.24 O ATOM 775 CB ALA A 47 0.678 8.223 -22.699 1.00 42.10 C ATOM 0 H ALA A 47 1.369 10.330 -23.798 1.00 75.54 H new ATOM 0 HA ALA A 47 -0.506 9.716 -21.728 1.00 13.13 H new ATOM 0 HB1 ALA A 47 0.418 7.438 -21.989 1.00 42.10 H new ATOM 0 HB2 ALA A 47 0.012 8.169 -23.560 1.00 42.10 H new ATOM 0 HB3 ALA A 47 1.708 8.088 -23.029 1.00 42.10 H new ATOM 826 N LEU A 51 6.676 7.125 -19.701 1.00 52.33 N ATOM 827 CA LEU A 51 7.818 7.458 -18.857 1.00 50.44 C ATOM 828 C LEU A 51 8.493 6.196 -18.330 1.00 43.53 C ATOM 829 O LEU A 51 9.561 6.259 -17.724 1.00 54.02 O ATOM 830 CB LEU A 51 7.374 8.339 -17.688 1.00 51.43 C ATOM 831 CG LEU A 51 7.362 9.845 -17.951 1.00 24.32 C ATOM 832 CD1 LEU A 51 6.285 10.523 -17.117 1.00 45.15 C ATOM 833 CD2 LEU A 51 8.726 10.449 -17.655 1.00 20.24 C ATOM 0 HA LEU A 51 8.539 8.006 -19.464 1.00 50.44 H new ATOM 0 HB2 LEU A 51 6.371 8.034 -17.390 1.00 51.43 H new ATOM 0 HB3 LEU A 51 8.032 8.143 -16.841 1.00 51.43 H new ATOM 0 HG LEU A 51 7.135 10.009 -19.004 1.00 24.32 H new ATOM 0 HD11 LEU A 51 6.291 11.595 -17.317 1.00 45.15 H new ATOM 0 HD12 LEU A 51 5.310 10.111 -17.377 1.00 45.15 H new ATOM 0 HD13 LEU A 51 6.482 10.350 -16.059 1.00 45.15 H new ATOM 0 HD21 LEU A 51 8.699 11.521 -17.848 1.00 20.24 H new ATOM 0 HD22 LEU A 51 8.982 10.275 -16.610 1.00 20.24 H new ATOM 0 HD23 LEU A 51 9.476 9.984 -18.295 1.00 20.24 H new ATOM 845 N GLU A 52 7.861 5.050 -18.568 1.00 2.33 N ATOM 846 CA GLU A 52 8.402 3.773 -18.117 1.00 41.22 C ATOM 847 C GLU A 52 9.459 3.256 -19.089 1.00 4.11 C ATOM 848 O GLU A 52 10.384 2.546 -18.696 1.00 43.23 O ATOM 849 CB GLU A 52 7.281 2.742 -17.971 1.00 63.54 C ATOM 850 CG GLU A 52 6.128 3.214 -17.100 1.00 73.53 C ATOM 851 CD GLU A 52 5.230 2.078 -16.654 1.00 12.31 C ATOM 852 OE1 GLU A 52 5.715 0.930 -16.587 1.00 3.15 O ATOM 853 OE2 GLU A 52 4.041 2.338 -16.372 1.00 2.41 O ATOM 0 H GLU A 52 6.976 4.980 -19.070 1.00 2.33 H new ATOM 0 HA GLU A 52 8.871 3.929 -17.146 1.00 41.22 H new ATOM 0 HB2 GLU A 52 6.899 2.491 -18.960 1.00 63.54 H new ATOM 0 HB3 GLU A 52 7.694 1.827 -17.547 1.00 63.54 H new ATOM 0 HG2 GLU A 52 6.526 3.724 -16.222 1.00 73.53 H new ATOM 0 HG3 GLU A 52 5.536 3.944 -17.652 1.00 73.53 H new ATOM 860 N SER A 53 9.313 3.619 -20.360 1.00 74.03 N ATOM 861 CA SER A 53 10.253 3.189 -21.389 1.00 63.13 C ATOM 862 C SER A 53 11.095 4.363 -21.881 1.00 3.54 C ATOM 863 O SER A 53 10.603 5.484 -22.009 1.00 33.51 O ATOM 864 CB SER A 53 9.501 2.559 -22.564 1.00 11.02 C ATOM 865 OG SER A 53 9.473 3.433 -23.679 1.00 32.11 O ATOM 0 H SER A 53 8.554 4.209 -20.701 1.00 74.03 H new ATOM 0 HA SER A 53 10.919 2.445 -20.951 1.00 63.13 H new ATOM 0 HB2 SER A 53 9.980 1.621 -22.845 1.00 11.02 H new ATOM 0 HB3 SER A 53 8.482 2.319 -22.261 1.00 11.02 H new ATOM 0 HG SER A 53 10.183 3.184 -24.308 1.00 32.11 H new ATOM 871 N LYS A 54 12.367 4.096 -22.154 1.00 42.00 N ATOM 872 CA LYS A 54 13.280 5.128 -22.633 1.00 5.21 C ATOM 873 C LYS A 54 12.839 5.655 -23.995 1.00 11.30 C ATOM 874 O LYS A 54 12.786 6.865 -24.213 1.00 41.35 O ATOM 875 CB LYS A 54 14.704 4.574 -22.725 1.00 33.35 C ATOM 876 CG LYS A 54 15.681 5.519 -23.404 1.00 22.23 C ATOM 877 CD LYS A 54 17.043 4.873 -23.592 1.00 5.43 C ATOM 878 CE LYS A 54 16.992 3.758 -24.627 1.00 34.23 C ATOM 879 NZ LYS A 54 17.724 4.125 -25.871 1.00 44.25 N ATOM 0 H LYS A 54 12.790 3.173 -22.052 1.00 42.00 H new ATOM 0 HA LYS A 54 13.263 5.953 -21.921 1.00 5.21 H new ATOM 0 HB2 LYS A 54 15.064 4.352 -21.720 1.00 33.35 H new ATOM 0 HB3 LYS A 54 14.684 3.631 -23.272 1.00 33.35 H new ATOM 0 HG2 LYS A 54 15.283 5.820 -24.373 1.00 22.23 H new ATOM 0 HG3 LYS A 54 15.786 6.425 -22.807 1.00 22.23 H new ATOM 0 HD2 LYS A 54 17.765 5.628 -23.904 1.00 5.43 H new ATOM 0 HD3 LYS A 54 17.391 4.472 -22.640 1.00 5.43 H new ATOM 0 HE2 LYS A 54 17.424 2.850 -24.205 1.00 34.23 H new ATOM 0 HE3 LYS A 54 15.953 3.534 -24.869 1.00 34.23 H new ATOM 0 HZ1 LYS A 54 17.667 3.341 -26.552 1.00 44.25 H new ATOM 0 HZ2 LYS A 54 17.296 4.977 -26.287 1.00 44.25 H new ATOM 0 HZ3 LYS A 54 18.721 4.314 -25.644 1.00 44.25 H new ATOM 893 N GLU A 55 12.525 4.739 -24.905 1.00 44.20 N ATOM 894 CA GLU A 55 12.088 5.114 -26.245 1.00 1.42 C ATOM 895 C GLU A 55 10.938 6.115 -26.183 1.00 14.14 C ATOM 896 O GLU A 55 10.926 7.108 -26.910 1.00 24.14 O ATOM 897 CB GLU A 55 11.656 3.874 -27.030 1.00 54.53 C ATOM 898 CG GLU A 55 12.431 3.670 -28.322 1.00 15.01 C ATOM 899 CD GLU A 55 13.881 3.296 -28.080 1.00 1.13 C ATOM 900 OE1 GLU A 55 14.703 4.211 -27.865 1.00 23.32 O ATOM 901 OE2 GLU A 55 14.193 2.087 -28.106 1.00 45.31 O ATOM 0 H GLU A 55 12.565 3.733 -24.740 1.00 44.20 H new ATOM 0 HA GLU A 55 12.929 5.584 -26.755 1.00 1.42 H new ATOM 0 HB2 GLU A 55 11.780 2.994 -26.399 1.00 54.53 H new ATOM 0 HB3 GLU A 55 10.594 3.953 -27.262 1.00 54.53 H new ATOM 0 HG2 GLU A 55 11.951 2.887 -28.909 1.00 15.01 H new ATOM 0 HG3 GLU A 55 12.389 4.584 -28.914 1.00 15.01 H new ATOM 908 N GLY A 56 9.973 5.845 -25.309 1.00 74.01 N ATOM 909 CA GLY A 56 8.832 6.731 -25.168 1.00 2.41 C ATOM 910 C GLY A 56 9.235 8.138 -24.774 1.00 12.41 C ATOM 911 O GLY A 56 8.711 9.114 -25.309 1.00 64.22 O ATOM 0 H GLY A 56 9.961 5.029 -24.697 1.00 74.01 H new ATOM 0 HA2 GLY A 56 8.283 6.764 -26.109 1.00 2.41 H new ATOM 0 HA3 GLY A 56 8.153 6.327 -24.417 1.00 2.41 H new ATOM 915 N CYS A 57 10.167 8.242 -23.834 1.00 33.44 N ATOM 916 CA CYS A 57 10.640 9.541 -23.366 1.00 24.53 C ATOM 917 C CYS A 57 11.398 10.274 -24.468 1.00 42.00 C ATOM 918 O CYS A 57 11.373 11.502 -24.540 1.00 1.52 O ATOM 919 CB CYS A 57 11.537 9.370 -22.140 1.00 13.33 C ATOM 920 SG CYS A 57 10.786 9.926 -20.591 1.00 33.10 S ATOM 0 H CYS A 57 10.611 7.443 -23.380 1.00 33.44 H new ATOM 0 HA CYS A 57 9.771 10.138 -23.090 1.00 24.53 H new ATOM 0 HB2 CYS A 57 11.806 8.318 -22.044 1.00 13.33 H new ATOM 0 HB3 CYS A 57 12.463 9.922 -22.301 1.00 13.33 H new ATOM 0 HG CYS A 57 11.621 9.738 -19.612 1.00 33.10 H new ATOM 926 N GLN A 58 12.071 9.511 -25.323 1.00 34.20 N ATOM 927 CA GLN A 58 12.839 10.089 -26.420 1.00 2.43 C ATOM 928 C GLN A 58 11.948 10.939 -27.319 1.00 44.13 C ATOM 929 O GLN A 58 12.421 11.855 -27.993 1.00 25.34 O ATOM 930 CB GLN A 58 13.506 8.983 -27.240 1.00 70.13 C ATOM 931 CG GLN A 58 14.722 9.455 -28.022 1.00 31.23 C ATOM 932 CD GLN A 58 14.408 9.732 -29.479 1.00 64.21 C ATOM 933 OE1 GLN A 58 13.851 8.884 -30.177 1.00 72.42 O ATOM 934 NE2 GLN A 58 14.763 10.923 -29.946 1.00 22.21 N ATOM 0 H GLN A 58 12.100 8.492 -25.278 1.00 34.20 H new ATOM 0 HA GLN A 58 13.610 10.731 -25.993 1.00 2.43 H new ATOM 0 HB2 GLN A 58 13.805 8.176 -26.571 1.00 70.13 H new ATOM 0 HB3 GLN A 58 12.776 8.567 -27.935 1.00 70.13 H new ATOM 0 HG2 GLN A 58 15.117 10.360 -27.561 1.00 31.23 H new ATOM 0 HG3 GLN A 58 15.505 8.699 -27.960 1.00 31.23 H new ATOM 0 HE21 GLN A 58 15.223 11.595 -29.332 1.00 22.21 H new ATOM 0 HE22 GLN A 58 14.576 11.166 -30.919 1.00 22.21 H new ATOM 943 N LYS A 59 10.656 10.629 -27.326 1.00 72.23 N ATOM 944 CA LYS A 59 9.698 11.364 -28.142 1.00 45.35 C ATOM 945 C LYS A 59 9.129 12.554 -27.376 1.00 13.21 C ATOM 946 O LYS A 59 8.530 13.455 -27.964 1.00 4.51 O ATOM 947 CB LYS A 59 8.561 10.441 -28.587 1.00 61.02 C ATOM 948 CG LYS A 59 8.624 10.061 -30.057 1.00 21.23 C ATOM 949 CD LYS A 59 8.077 8.664 -30.297 1.00 23.34 C ATOM 950 CE LYS A 59 8.680 8.035 -31.543 1.00 32.33 C ATOM 951 NZ LYS A 59 8.083 6.703 -31.837 1.00 30.40 N ATOM 0 H LYS A 59 10.248 9.873 -26.775 1.00 72.23 H new ATOM 0 HA LYS A 59 10.221 11.737 -29.022 1.00 45.35 H new ATOM 0 HB2 LYS A 59 8.585 9.533 -27.985 1.00 61.02 H new ATOM 0 HB3 LYS A 59 7.608 10.931 -28.388 1.00 61.02 H new ATOM 0 HG2 LYS A 59 8.055 10.781 -30.644 1.00 21.23 H new ATOM 0 HG3 LYS A 59 9.656 10.113 -30.403 1.00 21.23 H new ATOM 0 HD2 LYS A 59 8.289 8.036 -29.432 1.00 23.34 H new ATOM 0 HD3 LYS A 59 6.993 8.709 -30.400 1.00 23.34 H new ATOM 0 HE2 LYS A 59 8.527 8.698 -32.395 1.00 32.33 H new ATOM 0 HE3 LYS A 59 9.757 7.929 -31.411 1.00 32.33 H new ATOM 0 HZ1 LYS A 59 8.521 6.308 -32.694 1.00 30.40 H new ATOM 0 HZ2 LYS A 59 8.251 6.063 -31.035 1.00 30.40 H new ATOM 0 HZ3 LYS A 59 7.059 6.807 -31.988 1.00 30.40 H new ATOM 965 N ILE A 60 9.323 12.551 -26.061 1.00 72.34 N ATOM 966 CA ILE A 60 8.833 13.633 -25.216 1.00 4.44 C ATOM 967 C ILE A 60 9.845 14.769 -25.133 1.00 13.03 C ATOM 968 O ILE A 60 9.475 15.938 -25.016 1.00 54.10 O ATOM 969 CB ILE A 60 8.518 13.135 -23.792 1.00 52.11 C ATOM 970 CG1 ILE A 60 7.584 11.925 -23.846 1.00 13.30 C ATOM 971 CG2 ILE A 60 7.900 14.252 -22.965 1.00 23.31 C ATOM 972 CD1 ILE A 60 7.307 11.314 -22.490 1.00 51.50 C ATOM 0 H ILE A 60 9.815 11.812 -25.559 1.00 72.34 H new ATOM 0 HA ILE A 60 7.916 14.002 -25.676 1.00 4.44 H new ATOM 0 HB ILE A 60 9.450 12.830 -23.316 1.00 52.11 H new ATOM 0 HG12 ILE A 60 6.640 12.225 -24.300 1.00 13.30 H new ATOM 0 HG13 ILE A 60 8.022 11.167 -24.495 1.00 13.30 H new ATOM 0 HG21 ILE A 60 7.683 13.885 -21.962 1.00 23.31 H new ATOM 0 HG22 ILE A 60 8.598 15.087 -22.903 1.00 23.31 H new ATOM 0 HG23 ILE A 60 6.976 14.586 -23.437 1.00 23.31 H new ATOM 0 HD11 ILE A 60 6.638 10.461 -22.605 1.00 51.50 H new ATOM 0 HD12 ILE A 60 8.244 10.982 -22.042 1.00 51.50 H new ATOM 0 HD13 ILE A 60 6.839 12.058 -21.845 1.00 51.50 H new ATOM 984 N LEU A 61 11.125 14.418 -25.194 1.00 33.44 N ATOM 985 CA LEU A 61 12.194 15.409 -25.128 1.00 61.41 C ATOM 986 C LEU A 61 12.392 16.087 -26.480 1.00 63.42 C ATOM 987 O LEU A 61 12.790 17.251 -26.551 1.00 51.25 O ATOM 988 CB LEU A 61 13.499 14.752 -24.678 1.00 54.14 C ATOM 989 CG LEU A 61 13.573 14.343 -23.206 1.00 43.13 C ATOM 990 CD1 LEU A 61 14.880 13.622 -22.917 1.00 34.20 C ATOM 991 CD2 LEU A 61 13.421 15.560 -22.306 1.00 63.25 C ATOM 0 H LEU A 61 11.448 13.455 -25.289 1.00 33.44 H new ATOM 0 HA LEU A 61 11.907 16.168 -24.400 1.00 61.41 H new ATOM 0 HB2 LEU A 61 13.665 13.865 -25.289 1.00 54.14 H new ATOM 0 HB3 LEU A 61 14.319 15.440 -24.885 1.00 54.14 H new ATOM 0 HG LEU A 61 12.751 13.658 -22.997 1.00 43.13 H new ATOM 0 HD11 LEU A 61 14.914 13.339 -21.865 1.00 34.20 H new ATOM 0 HD12 LEU A 61 14.947 12.727 -23.536 1.00 34.20 H new ATOM 0 HD13 LEU A 61 15.717 14.282 -23.143 1.00 34.20 H new ATOM 0 HD21 LEU A 61 13.476 15.250 -21.262 1.00 63.25 H new ATOM 0 HD22 LEU A 61 14.221 16.270 -22.516 1.00 63.25 H new ATOM 0 HD23 LEU A 61 12.457 16.033 -22.493 1.00 63.25 H new ATOM 1003 N THR A 62 12.110 15.353 -27.551 1.00 52.04 N ATOM 1004 CA THR A 62 12.256 15.883 -28.902 1.00 0.11 C ATOM 1005 C THR A 62 11.225 16.971 -29.180 1.00 2.23 C ATOM 1006 O THR A 62 11.503 17.936 -29.891 1.00 42.22 O ATOM 1007 CB THR A 62 12.113 14.773 -29.960 1.00 1.25 C ATOM 1008 OG1 THR A 62 12.605 15.233 -31.222 1.00 74.14 O ATOM 1009 CG2 THR A 62 10.660 14.345 -30.101 1.00 41.22 C ATOM 0 H THR A 62 11.779 14.389 -27.510 1.00 52.04 H new ATOM 0 HA THR A 62 13.257 16.310 -28.968 1.00 0.11 H new ATOM 0 HB THR A 62 12.699 13.913 -29.635 1.00 1.25 H new ATOM 0 HG1 THR A 62 12.512 14.521 -31.889 1.00 74.14 H new ATOM 0 HG21 THR A 62 10.583 13.560 -30.854 1.00 41.22 H new ATOM 0 HG22 THR A 62 10.297 13.967 -29.145 1.00 41.22 H new ATOM 0 HG23 THR A 62 10.057 15.200 -30.406 1.00 41.22 H new ATOM 1017 N VAL A 63 10.033 16.809 -28.614 1.00 31.21 N ATOM 1018 CA VAL A 63 8.960 17.778 -28.800 1.00 74.41 C ATOM 1019 C VAL A 63 9.181 19.015 -27.936 1.00 21.33 C ATOM 1020 O VAL A 63 9.052 20.146 -28.407 1.00 4.55 O ATOM 1021 CB VAL A 63 7.587 17.168 -28.461 1.00 50.25 C ATOM 1022 CG1 VAL A 63 6.503 18.234 -28.509 1.00 41.51 C ATOM 1023 CG2 VAL A 63 7.264 16.024 -29.412 1.00 14.24 C ATOM 0 H VAL A 63 9.786 16.015 -28.023 1.00 31.21 H new ATOM 0 HA VAL A 63 8.972 18.065 -29.851 1.00 74.41 H new ATOM 0 HB VAL A 63 7.626 16.769 -27.448 1.00 50.25 H new ATOM 0 HG11 VAL A 63 5.540 17.785 -28.267 1.00 41.51 H new ATOM 0 HG12 VAL A 63 6.730 19.017 -27.786 1.00 41.51 H new ATOM 0 HG13 VAL A 63 6.461 18.665 -29.509 1.00 41.51 H new ATOM 0 HG21 VAL A 63 6.291 15.604 -29.159 1.00 14.24 H new ATOM 0 HG22 VAL A 63 7.243 16.397 -30.436 1.00 14.24 H new ATOM 0 HG23 VAL A 63 8.027 15.251 -29.323 1.00 14.24 H new ATOM 1033 N LEU A 64 9.516 18.793 -26.670 1.00 21.03 N ATOM 1034 CA LEU A 64 9.756 19.890 -25.738 1.00 3.31 C ATOM 1035 C LEU A 64 11.082 20.580 -26.040 1.00 64.02 C ATOM 1036 O LEU A 64 11.316 21.710 -25.613 1.00 32.24 O ATOM 1037 CB LEU A 64 9.754 19.371 -24.298 1.00 61.31 C ATOM 1038 CG LEU A 64 8.523 18.569 -23.875 1.00 20.52 C ATOM 1039 CD1 LEU A 64 8.810 17.780 -22.607 1.00 25.52 C ATOM 1040 CD2 LEU A 64 7.330 19.492 -23.673 1.00 61.21 C ATOM 0 H LEU A 64 9.628 17.864 -26.265 1.00 21.03 H new ATOM 0 HA LEU A 64 8.953 20.618 -25.857 1.00 3.31 H new ATOM 0 HB2 LEU A 64 10.636 18.746 -24.157 1.00 61.31 H new ATOM 0 HB3 LEU A 64 9.856 20.223 -23.626 1.00 61.31 H new ATOM 0 HG LEU A 64 8.281 17.864 -24.670 1.00 20.52 H new ATOM 0 HD11 LEU A 64 7.923 17.215 -22.321 1.00 25.52 H new ATOM 0 HD12 LEU A 64 9.636 17.092 -22.786 1.00 25.52 H new ATOM 0 HD13 LEU A 64 9.078 18.467 -21.804 1.00 25.52 H new ATOM 0 HD21 LEU A 64 6.462 18.905 -23.372 1.00 61.21 H new ATOM 0 HD22 LEU A 64 7.561 20.221 -22.897 1.00 61.21 H new ATOM 0 HD23 LEU A 64 7.110 20.012 -24.605 1.00 61.21 H new ATOM 1052 N ASP A 65 11.945 19.894 -26.781 1.00 21.43 N ATOM 1053 CA ASP A 65 13.246 20.443 -27.145 1.00 21.24 C ATOM 1054 C ASP A 65 13.092 21.792 -27.840 1.00 13.24 C ATOM 1055 O ASP A 65 13.544 22.827 -27.347 1.00 41.24 O ATOM 1056 CB ASP A 65 13.998 19.469 -28.053 1.00 20.41 C ATOM 1057 CG ASP A 65 15.214 18.868 -27.377 1.00 34.52 C ATOM 1058 OD1 ASP A 65 15.088 18.418 -26.220 1.00 22.24 O ATOM 1059 OD2 ASP A 65 16.294 18.849 -28.006 1.00 14.10 O ATOM 0 H ASP A 65 11.767 18.957 -27.141 1.00 21.43 H new ATOM 0 HA ASP A 65 13.820 20.591 -26.230 1.00 21.24 H new ATOM 0 HB2 ASP A 65 13.324 18.669 -28.360 1.00 20.41 H new ATOM 0 HB3 ASP A 65 14.309 19.989 -28.959 1.00 20.41 H new ATOM 1064 N PRO A 66 12.441 21.784 -29.012 1.00 4.44 N ATOM 1065 CA PRO A 66 12.213 22.998 -29.800 1.00 53.14 C ATOM 1066 C PRO A 66 11.211 23.939 -29.139 1.00 54.02 C ATOM 1067 O PRO A 66 11.107 25.108 -29.508 1.00 73.41 O ATOM 1068 CB PRO A 66 11.655 22.465 -31.122 1.00 4.54 C ATOM 1069 CG PRO A 66 11.038 21.154 -30.770 1.00 51.13 C ATOM 1070 CD PRO A 66 11.876 20.586 -29.658 1.00 35.31 C ATOM 0 HA PRO A 66 13.123 23.587 -29.913 1.00 53.14 H new ATOM 0 HB2 PRO A 66 10.919 23.148 -31.546 1.00 4.54 H new ATOM 0 HB3 PRO A 66 12.443 22.345 -31.865 1.00 4.54 H new ATOM 0 HG2 PRO A 66 10.003 21.283 -30.452 1.00 51.13 H new ATOM 0 HG3 PRO A 66 11.026 20.485 -31.630 1.00 51.13 H new ATOM 0 HD2 PRO A 66 11.276 19.999 -28.962 1.00 35.31 H new ATOM 0 HD3 PRO A 66 12.657 19.928 -30.039 1.00 35.31 H new ATOM 1078 N MET A 67 10.476 23.420 -28.160 1.00 51.04 N ATOM 1079 CA MET A 67 9.484 24.215 -27.447 1.00 43.22 C ATOM 1080 C MET A 67 10.129 24.995 -26.306 1.00 71.12 C ATOM 1081 O MET A 67 9.549 25.947 -25.785 1.00 72.30 O ATOM 1082 CB MET A 67 8.374 23.314 -26.901 1.00 74.40 C ATOM 1083 CG MET A 67 7.484 22.724 -27.982 1.00 41.42 C ATOM 1084 SD MET A 67 6.043 23.750 -28.333 1.00 45.15 S ATOM 1085 CE MET A 67 5.648 23.222 -29.999 1.00 35.14 C ATOM 0 H MET A 67 10.549 22.453 -27.843 1.00 51.04 H new ATOM 0 HA MET A 67 9.052 24.927 -28.151 1.00 43.22 H new ATOM 0 HB2 MET A 67 8.824 22.502 -26.329 1.00 74.40 H new ATOM 0 HB3 MET A 67 7.759 23.888 -26.209 1.00 74.40 H new ATOM 0 HG2 MET A 67 8.065 22.596 -28.895 1.00 41.42 H new ATOM 0 HG3 MET A 67 7.153 21.733 -27.673 1.00 41.42 H new ATOM 0 HE1 MET A 67 4.775 23.769 -30.357 1.00 35.14 H new ATOM 0 HE2 MET A 67 6.495 23.422 -30.655 1.00 35.14 H new ATOM 0 HE3 MET A 67 5.433 22.153 -30.001 1.00 35.14 H new ATOM 1095 N VAL A 68 11.335 24.584 -25.922 1.00 25.01 N ATOM 1096 CA VAL A 68 12.059 25.245 -24.844 1.00 2.13 C ATOM 1097 C VAL A 68 12.206 26.738 -25.113 1.00 74.35 C ATOM 1098 O VAL A 68 11.783 27.582 -24.323 1.00 51.23 O ATOM 1099 CB VAL A 68 13.457 24.629 -24.647 1.00 73.34 C ATOM 1100 CG1 VAL A 68 14.426 25.668 -24.103 1.00 51.53 C ATOM 1101 CG2 VAL A 68 13.382 23.423 -23.724 1.00 13.50 C ATOM 0 H VAL A 68 11.830 23.797 -26.342 1.00 25.01 H new ATOM 0 HA VAL A 68 11.475 25.100 -23.935 1.00 2.13 H new ATOM 0 HB VAL A 68 13.827 24.294 -25.616 1.00 73.34 H new ATOM 0 HG11 VAL A 68 15.408 25.215 -23.970 1.00 51.53 H new ATOM 0 HG12 VAL A 68 14.501 26.498 -24.805 1.00 51.53 H new ATOM 0 HG13 VAL A 68 14.064 26.036 -23.143 1.00 51.53 H new ATOM 0 HG21 VAL A 68 14.379 23.000 -23.596 1.00 13.50 H new ATOM 0 HG22 VAL A 68 12.991 23.731 -22.754 1.00 13.50 H new ATOM 0 HG23 VAL A 68 12.723 22.672 -24.159 1.00 13.50 H new ATOM 1111 N PRO A 69 12.821 27.074 -26.258 1.00 64.23 N ATOM 1112 CA PRO A 69 13.037 28.467 -26.660 1.00 61.24 C ATOM 1113 C PRO A 69 11.738 29.171 -27.037 1.00 32.14 C ATOM 1114 O PRO A 69 11.742 30.338 -27.429 1.00 42.32 O ATOM 1115 CB PRO A 69 13.952 28.345 -27.882 1.00 3.33 C ATOM 1116 CG PRO A 69 13.671 26.989 -28.431 1.00 74.23 C ATOM 1117 CD PRO A 69 13.350 26.120 -27.247 1.00 61.53 C ATOM 0 HA PRO A 69 13.459 29.063 -25.851 1.00 61.24 H new ATOM 0 HB2 PRO A 69 13.738 29.122 -28.616 1.00 3.33 H new ATOM 0 HB3 PRO A 69 15.001 28.450 -27.604 1.00 3.33 H new ATOM 0 HG2 PRO A 69 12.837 27.017 -29.132 1.00 74.23 H new ATOM 0 HG3 PRO A 69 14.532 26.603 -28.976 1.00 74.23 H new ATOM 0 HD2 PRO A 69 12.617 25.353 -27.498 1.00 61.53 H new ATOM 0 HD3 PRO A 69 14.235 25.605 -26.875 1.00 61.53 H new ATOM 1125 N THR A 70 10.625 28.454 -26.915 1.00 41.51 N ATOM 1126 CA THR A 70 9.318 29.009 -27.243 1.00 1.53 C ATOM 1127 C THR A 70 8.217 28.343 -26.425 1.00 23.42 C ATOM 1128 O THR A 70 7.190 27.935 -26.965 1.00 71.24 O ATOM 1129 CB THR A 70 8.999 28.847 -28.741 1.00 20.41 C ATOM 1130 OG1 THR A 70 9.379 27.540 -29.184 1.00 45.23 O ATOM 1131 CG2 THR A 70 9.725 29.899 -29.566 1.00 63.21 C ATOM 0 H THR A 70 10.603 27.487 -26.591 1.00 41.51 H new ATOM 0 HA THR A 70 9.355 30.071 -27.000 1.00 1.53 H new ATOM 0 HB THR A 70 7.926 28.979 -28.878 1.00 20.41 H new ATOM 0 HG1 THR A 70 9.172 27.444 -30.137 1.00 45.23 H new ATOM 0 HG21 THR A 70 9.484 29.764 -30.621 1.00 63.21 H new ATOM 0 HG22 THR A 70 9.411 30.893 -29.246 1.00 63.21 H new ATOM 0 HG23 THR A 70 10.801 29.795 -29.423 1.00 63.21 H new ATOM 1139 N GLY A 71 8.438 28.238 -25.118 1.00 63.22 N ATOM 1140 CA GLY A 71 7.454 27.621 -24.247 1.00 11.33 C ATOM 1141 C GLY A 71 7.438 28.238 -22.862 1.00 74.12 C ATOM 1142 O GLY A 71 8.477 28.652 -22.348 1.00 33.21 O ATOM 0 H GLY A 71 9.280 28.569 -24.647 1.00 63.22 H new ATOM 0 HA2 GLY A 71 6.465 27.717 -24.696 1.00 11.33 H new ATOM 0 HA3 GLY A 71 7.664 26.555 -24.164 1.00 11.33 H new ATOM 1146 N SER A 72 6.256 28.302 -22.258 1.00 42.02 N ATOM 1147 CA SER A 72 6.108 28.878 -20.927 1.00 34.20 C ATOM 1148 C SER A 72 7.033 28.187 -19.930 1.00 24.24 C ATOM 1149 O SER A 72 7.717 27.221 -20.268 1.00 64.44 O ATOM 1150 CB SER A 72 4.657 28.764 -20.457 1.00 64.05 C ATOM 1151 OG SER A 72 4.448 27.564 -19.733 1.00 21.32 O ATOM 0 H SER A 72 5.387 27.962 -22.669 1.00 42.02 H new ATOM 0 HA SER A 72 6.383 29.931 -20.982 1.00 34.20 H new ATOM 0 HB2 SER A 72 4.407 29.619 -19.829 1.00 64.05 H new ATOM 0 HB3 SER A 72 3.989 28.794 -21.318 1.00 64.05 H new ATOM 0 HG SER A 72 3.513 27.516 -19.442 1.00 21.32 H new ATOM 1157 N GLU A 73 7.048 28.690 -18.699 1.00 43.54 N ATOM 1158 CA GLU A 73 7.889 28.121 -17.653 1.00 60.11 C ATOM 1159 C GLU A 73 7.528 26.661 -17.397 1.00 63.11 C ATOM 1160 O GLU A 73 8.404 25.809 -17.256 1.00 2.02 O ATOM 1161 CB GLU A 73 7.749 28.928 -16.360 1.00 45.41 C ATOM 1162 CG GLU A 73 9.048 29.560 -15.892 1.00 14.32 C ATOM 1163 CD GLU A 73 9.013 29.950 -14.427 1.00 61.12 C ATOM 1164 OE1 GLU A 73 8.295 29.283 -13.653 1.00 51.52 O ATOM 1165 OE2 GLU A 73 9.703 30.922 -14.054 1.00 51.13 O ATOM 0 H GLU A 73 6.488 29.489 -18.403 1.00 43.54 H new ATOM 0 HA GLU A 73 8.924 28.166 -17.991 1.00 60.11 H new ATOM 0 HB2 GLU A 73 7.007 29.712 -16.510 1.00 45.41 H new ATOM 0 HB3 GLU A 73 7.369 28.275 -15.574 1.00 45.41 H new ATOM 0 HG2 GLU A 73 9.868 28.862 -16.059 1.00 14.32 H new ATOM 0 HG3 GLU A 73 9.255 30.444 -16.495 1.00 14.32 H new ATOM 1172 N ASN A 74 6.230 26.381 -17.337 1.00 61.14 N ATOM 1173 CA ASN A 74 5.751 25.024 -17.096 1.00 60.35 C ATOM 1174 C ASN A 74 6.379 24.043 -18.082 1.00 22.04 C ATOM 1175 O ASN A 74 6.751 22.928 -17.712 1.00 70.40 O ATOM 1176 CB ASN A 74 4.226 24.972 -17.211 1.00 23.34 C ATOM 1177 CG ASN A 74 3.537 25.803 -16.145 1.00 60.44 C ATOM 1178 OD1 ASN A 74 3.679 25.543 -14.950 1.00 72.31 O ATOM 1179 ND2 ASN A 74 2.786 26.811 -16.575 1.00 30.35 N ATOM 0 H ASN A 74 5.491 27.075 -17.452 1.00 61.14 H new ATOM 0 HA ASN A 74 6.043 24.736 -16.086 1.00 60.35 H new ATOM 0 HB2 ASN A 74 3.926 25.329 -18.196 1.00 23.34 H new ATOM 0 HB3 ASN A 74 3.893 23.937 -17.132 1.00 23.34 H new ATOM 0 HD21 ASN A 74 2.299 27.406 -15.905 1.00 30.35 H new ATOM 0 HD22 ASN A 74 2.697 26.990 -17.575 1.00 30.35 H new ATOM 1186 N LEU A 75 6.495 24.465 -19.335 1.00 44.21 N ATOM 1187 CA LEU A 75 7.080 23.624 -20.374 1.00 1.31 C ATOM 1188 C LEU A 75 8.572 23.420 -20.135 1.00 23.40 C ATOM 1189 O LEU A 75 9.147 22.414 -20.548 1.00 2.55 O ATOM 1190 CB LEU A 75 6.854 24.250 -21.752 1.00 22.20 C ATOM 1191 CG LEU A 75 7.261 23.396 -22.953 1.00 15.32 C ATOM 1192 CD1 LEU A 75 6.262 23.557 -24.087 1.00 73.54 C ATOM 1193 CD2 LEU A 75 8.663 23.763 -23.417 1.00 31.33 C ATOM 0 H LEU A 75 6.192 25.384 -19.657 1.00 44.21 H new ATOM 0 HA LEU A 75 6.589 22.651 -20.338 1.00 1.31 H new ATOM 0 HB2 LEU A 75 5.796 24.496 -21.848 1.00 22.20 H new ATOM 0 HB3 LEU A 75 7.405 25.190 -21.797 1.00 22.20 H new ATOM 0 HG LEU A 75 7.264 22.350 -22.646 1.00 15.32 H new ATOM 0 HD11 LEU A 75 6.569 22.941 -24.933 1.00 73.54 H new ATOM 0 HD12 LEU A 75 5.274 23.243 -23.749 1.00 73.54 H new ATOM 0 HD13 LEU A 75 6.225 24.602 -24.394 1.00 73.54 H new ATOM 0 HD21 LEU A 75 8.936 23.145 -24.273 1.00 31.33 H new ATOM 0 HD22 LEU A 75 8.687 24.814 -23.705 1.00 31.33 H new ATOM 0 HD23 LEU A 75 9.371 23.593 -22.606 1.00 31.33 H new ATOM 1205 N LYS A 76 9.195 24.383 -19.462 1.00 1.23 N ATOM 1206 CA LYS A 76 10.620 24.308 -19.163 1.00 63.54 C ATOM 1207 C LYS A 76 10.876 23.418 -17.952 1.00 0.04 C ATOM 1208 O LYS A 76 11.867 22.688 -17.904 1.00 65.22 O ATOM 1209 CB LYS A 76 11.181 25.709 -18.907 1.00 61.21 C ATOM 1210 CG LYS A 76 12.094 26.210 -20.013 1.00 55.13 C ATOM 1211 CD LYS A 76 12.102 27.727 -20.085 1.00 72.24 C ATOM 1212 CE LYS A 76 12.509 28.218 -21.468 1.00 4.33 C ATOM 1213 NZ LYS A 76 13.867 28.826 -21.463 1.00 74.40 N ATOM 0 H LYS A 76 8.735 25.224 -19.114 1.00 1.23 H new ATOM 0 HA LYS A 76 11.125 23.872 -20.025 1.00 63.54 H new ATOM 0 HB2 LYS A 76 10.352 26.407 -18.787 1.00 61.21 H new ATOM 0 HB3 LYS A 76 11.732 25.704 -17.967 1.00 61.21 H new ATOM 0 HG2 LYS A 76 13.108 25.848 -19.841 1.00 55.13 H new ATOM 0 HG3 LYS A 76 11.767 25.801 -20.969 1.00 55.13 H new ATOM 0 HD2 LYS A 76 11.111 28.109 -19.839 1.00 72.24 H new ATOM 0 HD3 LYS A 76 12.791 28.124 -19.339 1.00 72.24 H new ATOM 0 HE2 LYS A 76 12.487 27.385 -22.170 1.00 4.33 H new ATOM 0 HE3 LYS A 76 11.784 28.952 -21.821 1.00 4.33 H new ATOM 0 HZ1 LYS A 76 14.107 29.148 -22.422 1.00 74.40 H new ATOM 0 HZ2 LYS A 76 13.882 29.637 -20.812 1.00 74.40 H new ATOM 0 HZ3 LYS A 76 14.563 28.119 -21.151 1.00 74.40 H new ATOM 1227 N SER A 77 9.976 23.481 -16.976 1.00 0.45 N ATOM 1228 CA SER A 77 10.107 22.681 -15.763 1.00 51.12 C ATOM 1229 C SER A 77 9.964 21.195 -16.074 1.00 40.25 C ATOM 1230 O SER A 77 10.722 20.367 -15.568 1.00 52.45 O ATOM 1231 CB SER A 77 9.055 23.101 -14.734 1.00 73.40 C ATOM 1232 OG SER A 77 9.655 23.395 -13.483 1.00 62.23 O ATOM 0 H SER A 77 9.149 24.077 -17.001 1.00 0.45 H new ATOM 0 HA SER A 77 11.100 22.854 -15.349 1.00 51.12 H new ATOM 0 HB2 SER A 77 8.515 23.976 -15.097 1.00 73.40 H new ATOM 0 HB3 SER A 77 8.323 22.303 -14.611 1.00 73.40 H new ATOM 0 HG SER A 77 8.963 23.662 -12.843 1.00 62.23 H new ATOM 1238 N LEU A 78 8.987 20.864 -16.911 1.00 1.10 N ATOM 1239 CA LEU A 78 8.743 19.477 -17.292 1.00 43.43 C ATOM 1240 C LEU A 78 9.887 18.936 -18.143 1.00 53.00 C ATOM 1241 O LEU A 78 10.358 17.818 -17.931 1.00 75.20 O ATOM 1242 CB LEU A 78 7.424 19.362 -18.058 1.00 52.43 C ATOM 1243 CG LEU A 78 7.086 17.976 -18.609 1.00 73.25 C ATOM 1244 CD1 LEU A 78 6.891 16.983 -17.474 1.00 54.14 C ATOM 1245 CD2 LEU A 78 5.843 18.039 -19.485 1.00 4.25 C ATOM 0 H LEU A 78 8.351 21.537 -17.339 1.00 1.10 H new ATOM 0 HA LEU A 78 8.680 18.882 -16.381 1.00 43.43 H new ATOM 0 HB2 LEU A 78 6.615 19.676 -17.398 1.00 52.43 H new ATOM 0 HB3 LEU A 78 7.448 20.066 -18.890 1.00 52.43 H new ATOM 0 HG LEU A 78 7.921 17.636 -19.222 1.00 73.25 H new ATOM 0 HD11 LEU A 78 6.651 16.003 -17.886 1.00 54.14 H new ATOM 0 HD12 LEU A 78 7.807 16.916 -16.888 1.00 54.14 H new ATOM 0 HD13 LEU A 78 6.074 17.318 -16.834 1.00 54.14 H new ATOM 0 HD21 LEU A 78 5.617 17.044 -19.868 1.00 4.25 H new ATOM 0 HD22 LEU A 78 5.000 18.400 -18.896 1.00 4.25 H new ATOM 0 HD23 LEU A 78 6.020 18.718 -20.319 1.00 4.25 H new ATOM 1257 N PHE A 79 10.331 19.737 -19.105 1.00 51.04 N ATOM 1258 CA PHE A 79 11.422 19.340 -19.988 1.00 71.11 C ATOM 1259 C PHE A 79 12.639 18.894 -19.183 1.00 33.33 C ATOM 1260 O PHE A 79 13.339 17.957 -19.562 1.00 44.43 O ATOM 1261 CB PHE A 79 11.806 20.497 -20.914 1.00 25.32 C ATOM 1262 CG PHE A 79 12.937 20.171 -21.846 1.00 2.12 C ATOM 1263 CD1 PHE A 79 12.850 19.093 -22.711 1.00 62.23 C ATOM 1264 CD2 PHE A 79 14.089 20.941 -21.855 1.00 22.04 C ATOM 1265 CE1 PHE A 79 13.889 18.790 -23.571 1.00 1.22 C ATOM 1266 CE2 PHE A 79 15.131 20.643 -22.711 1.00 0.31 C ATOM 1267 CZ PHE A 79 15.032 19.565 -23.570 1.00 21.14 C ATOM 0 H PHE A 79 9.952 20.665 -19.294 1.00 51.04 H new ATOM 0 HA PHE A 79 11.079 18.500 -20.591 1.00 71.11 H new ATOM 0 HB2 PHE A 79 10.934 20.786 -21.501 1.00 25.32 H new ATOM 0 HB3 PHE A 79 12.083 21.360 -20.308 1.00 25.32 H new ATOM 0 HD1 PHE A 79 11.960 18.482 -22.714 1.00 62.23 H new ATOM 0 HD2 PHE A 79 14.173 21.784 -21.185 1.00 22.04 H new ATOM 0 HE1 PHE A 79 13.807 17.948 -24.243 1.00 1.22 H new ATOM 0 HE2 PHE A 79 16.023 21.252 -22.709 1.00 0.31 H new ATOM 0 HZ PHE A 79 15.847 19.329 -24.239 1.00 21.14 H new ATOM 1277 N ASN A 80 12.885 19.575 -18.068 1.00 63.11 N ATOM 1278 CA ASN A 80 14.018 19.251 -17.208 1.00 72.42 C ATOM 1279 C ASN A 80 13.784 17.934 -16.474 1.00 70.11 C ATOM 1280 O ASN A 80 14.708 17.142 -16.287 1.00 40.44 O ATOM 1281 CB ASN A 80 14.257 20.376 -16.199 1.00 52.30 C ATOM 1282 CG ASN A 80 15.280 21.383 -16.687 1.00 54.00 C ATOM 1283 OD1 ASN A 80 16.398 21.020 -17.057 1.00 23.11 O ATOM 1284 ND2 ASN A 80 14.903 22.656 -16.690 1.00 51.04 N ATOM 0 H ASN A 80 12.315 20.354 -17.739 1.00 63.11 H new ATOM 0 HA ASN A 80 14.902 19.143 -17.837 1.00 72.42 H new ATOM 0 HB2 ASN A 80 13.315 20.887 -15.999 1.00 52.30 H new ATOM 0 HB3 ASN A 80 14.594 19.948 -15.255 1.00 52.30 H new ATOM 0 HD21 ASN A 80 15.549 23.379 -17.007 1.00 51.04 H new ATOM 0 HD22 ASN A 80 13.967 22.911 -16.375 1.00 51.04 H new ATOM 1291 N THR A 81 12.541 17.706 -16.060 1.00 60.40 N ATOM 1292 CA THR A 81 12.185 16.487 -15.346 1.00 2.03 C ATOM 1293 C THR A 81 12.305 15.266 -16.249 1.00 54.15 C ATOM 1294 O THR A 81 12.766 14.208 -15.821 1.00 40.40 O ATOM 1295 CB THR A 81 10.751 16.561 -14.789 1.00 12.43 C ATOM 1296 OG1 THR A 81 10.576 17.770 -14.042 1.00 52.01 O ATOM 1297 CG2 THR A 81 10.453 15.363 -13.900 1.00 24.23 C ATOM 0 H THR A 81 11.764 18.350 -16.207 1.00 60.40 H new ATOM 0 HA THR A 81 12.885 16.391 -14.516 1.00 2.03 H new ATOM 0 HB THR A 81 10.058 16.551 -15.630 1.00 12.43 H new ATOM 0 HG1 THR A 81 10.566 18.535 -14.655 1.00 52.01 H new ATOM 0 HG21 THR A 81 9.435 15.437 -13.518 1.00 24.23 H new ATOM 0 HG22 THR A 81 10.557 14.445 -14.479 1.00 24.23 H new ATOM 0 HG23 THR A 81 11.153 15.347 -13.065 1.00 24.23 H new ATOM 1305 N VAL A 82 11.889 15.419 -17.502 1.00 3.31 N ATOM 1306 CA VAL A 82 11.952 14.329 -18.468 1.00 5.41 C ATOM 1307 C VAL A 82 13.391 13.881 -18.699 1.00 61.34 C ATOM 1308 O VAL A 82 13.697 12.690 -18.645 1.00 74.34 O ATOM 1309 CB VAL A 82 11.328 14.736 -19.816 1.00 53.10 C ATOM 1310 CG1 VAL A 82 11.404 13.586 -20.809 1.00 3.52 C ATOM 1311 CG2 VAL A 82 9.890 15.191 -19.622 1.00 52.12 C ATOM 0 H VAL A 82 11.504 16.288 -17.872 1.00 3.31 H new ATOM 0 HA VAL A 82 11.381 13.501 -18.048 1.00 5.41 H new ATOM 0 HB VAL A 82 11.897 15.572 -20.222 1.00 53.10 H new ATOM 0 HG11 VAL A 82 10.958 13.892 -21.755 1.00 3.52 H new ATOM 0 HG12 VAL A 82 12.447 13.313 -20.971 1.00 3.52 H new ATOM 0 HG13 VAL A 82 10.861 12.727 -20.414 1.00 3.52 H new ATOM 0 HG21 VAL A 82 9.465 15.475 -20.585 1.00 52.12 H new ATOM 0 HG22 VAL A 82 9.306 14.377 -19.193 1.00 52.12 H new ATOM 0 HG23 VAL A 82 9.867 16.048 -18.949 1.00 52.12 H new ATOM 1321 N CYS A 83 14.269 14.844 -18.955 1.00 62.44 N ATOM 1322 CA CYS A 83 15.678 14.551 -19.196 1.00 45.44 C ATOM 1323 C CYS A 83 16.245 13.669 -18.089 1.00 33.02 C ATOM 1324 O CYS A 83 17.153 12.870 -18.320 1.00 62.14 O ATOM 1325 CB CYS A 83 16.481 15.848 -19.294 1.00 53.22 C ATOM 1326 SG CYS A 83 16.465 16.604 -20.936 1.00 63.01 S ATOM 0 H CYS A 83 14.031 15.835 -19.001 1.00 62.44 H new ATOM 0 HA CYS A 83 15.756 14.013 -20.141 1.00 45.44 H new ATOM 0 HB2 CYS A 83 16.085 16.563 -18.573 1.00 53.22 H new ATOM 0 HB3 CYS A 83 17.513 15.646 -19.009 1.00 53.22 H new ATOM 0 HG CYS A 83 16.150 17.861 -20.832 1.00 63.01 H new ATOM 1332 N VAL A 84 15.706 13.820 -16.884 1.00 2.02 N ATOM 1333 CA VAL A 84 16.159 13.038 -15.740 1.00 0.23 C ATOM 1334 C VAL A 84 15.658 11.600 -15.824 1.00 54.42 C ATOM 1335 O VAL A 84 16.386 10.660 -15.502 1.00 45.04 O ATOM 1336 CB VAL A 84 15.683 13.658 -14.412 1.00 74.14 C ATOM 1337 CG1 VAL A 84 16.107 12.792 -13.236 1.00 53.31 C ATOM 1338 CG2 VAL A 84 16.220 15.073 -14.263 1.00 74.12 C ATOM 0 H VAL A 84 14.955 14.477 -16.674 1.00 2.02 H new ATOM 0 HA VAL A 84 17.249 13.043 -15.765 1.00 0.23 H new ATOM 0 HB VAL A 84 14.594 13.706 -14.423 1.00 74.14 H new ATOM 0 HG11 VAL A 84 15.762 13.246 -12.307 1.00 53.31 H new ATOM 0 HG12 VAL A 84 15.670 11.799 -13.339 1.00 53.31 H new ATOM 0 HG13 VAL A 84 17.194 12.710 -13.218 1.00 53.31 H new ATOM 0 HG21 VAL A 84 15.874 15.496 -13.320 1.00 74.12 H new ATOM 0 HG22 VAL A 84 17.310 15.052 -14.273 1.00 74.12 H new ATOM 0 HG23 VAL A 84 15.861 15.687 -15.089 1.00 74.12 H new ATOM 1348 N ILE A 85 14.414 11.437 -16.259 1.00 23.21 N ATOM 1349 CA ILE A 85 13.817 10.114 -16.387 1.00 45.40 C ATOM 1350 C ILE A 85 14.506 9.304 -17.480 1.00 4.52 C ATOM 1351 O ILE A 85 14.974 8.191 -17.240 1.00 50.22 O ATOM 1352 CB ILE A 85 12.311 10.203 -16.700 1.00 53.11 C ATOM 1353 CG1 ILE A 85 11.598 11.054 -15.648 1.00 14.12 C ATOM 1354 CG2 ILE A 85 11.701 8.810 -16.766 1.00 23.32 C ATOM 1355 CD1 ILE A 85 11.481 10.376 -14.301 1.00 73.41 C ATOM 0 H ILE A 85 13.799 12.205 -16.529 1.00 23.21 H new ATOM 0 HA ILE A 85 13.951 9.613 -15.428 1.00 45.40 H new ATOM 0 HB ILE A 85 12.184 10.680 -17.672 1.00 53.11 H new ATOM 0 HG12 ILE A 85 12.136 11.994 -15.527 1.00 14.12 H new ATOM 0 HG13 ILE A 85 10.600 11.302 -16.009 1.00 14.12 H new ATOM 0 HG21 ILE A 85 10.637 8.889 -16.988 1.00 23.32 H new ATOM 0 HG22 ILE A 85 12.193 8.234 -17.550 1.00 23.32 H new ATOM 0 HG23 ILE A 85 11.836 8.308 -15.808 1.00 23.32 H new ATOM 0 HD11 ILE A 85 10.965 11.037 -13.605 1.00 73.41 H new ATOM 0 HD12 ILE A 85 10.917 9.450 -14.408 1.00 73.41 H new ATOM 0 HD13 ILE A 85 12.477 10.152 -13.919 1.00 73.41 H new ATOM 1367 N TRP A 86 14.565 9.871 -18.680 1.00 3.41 N ATOM 1368 CA TRP A 86 15.199 9.201 -19.810 1.00 72.15 C ATOM 1369 C TRP A 86 16.600 8.723 -19.444 1.00 61.11 C ATOM 1370 O TRP A 86 16.996 7.611 -19.792 1.00 13.43 O ATOM 1371 CB TRP A 86 15.266 10.142 -21.014 1.00 61.52 C ATOM 1372 CG TRP A 86 15.867 9.509 -22.232 1.00 14.44 C ATOM 1373 CD1 TRP A 86 15.197 8.896 -23.252 1.00 30.13 C ATOM 1374 CD2 TRP A 86 17.259 9.422 -22.553 1.00 75.43 C ATOM 1375 NE1 TRP A 86 16.089 8.435 -24.190 1.00 54.31 N ATOM 1376 CE2 TRP A 86 17.361 8.746 -23.785 1.00 64.23 C ATOM 1377 CE3 TRP A 86 18.430 9.853 -21.924 1.00 32.24 C ATOM 1378 CZ2 TRP A 86 18.586 8.490 -24.394 1.00 62.43 C ATOM 1379 CZ3 TRP A 86 19.645 9.597 -22.529 1.00 74.43 C ATOM 1380 CH2 TRP A 86 19.716 8.923 -23.755 1.00 42.12 C ATOM 0 H TRP A 86 14.182 10.792 -18.895 1.00 3.41 H new ATOM 0 HA TRP A 86 14.596 8.331 -20.070 1.00 72.15 H new ATOM 0 HB2 TRP A 86 14.260 10.487 -21.252 1.00 61.52 H new ATOM 0 HB3 TRP A 86 15.850 11.022 -20.746 1.00 61.52 H new ATOM 0 HD1 TRP A 86 14.124 8.789 -23.312 1.00 30.13 H new ATOM 0 HE1 TRP A 86 15.844 7.941 -25.048 1.00 54.31 H new ATOM 0 HE3 TRP A 86 18.386 10.377 -20.981 1.00 32.24 H new ATOM 0 HZ2 TRP A 86 18.643 7.968 -25.338 1.00 62.43 H new ATOM 0 HZ3 TRP A 86 20.556 9.922 -22.049 1.00 74.43 H new ATOM 0 HH2 TRP A 86 20.681 8.742 -24.205 1.00 42.12 H new ATOM 1391 N CYS A 87 17.345 9.570 -18.742 1.00 65.21 N ATOM 1392 CA CYS A 87 18.702 9.233 -18.331 1.00 32.35 C ATOM 1393 C CYS A 87 18.720 7.942 -17.519 1.00 54.21 C ATOM 1394 O CYS A 87 19.488 7.024 -17.811 1.00 71.21 O ATOM 1395 CB CYS A 87 19.306 10.373 -17.509 1.00 30.53 C ATOM 1396 SG CYS A 87 20.140 11.636 -18.499 1.00 13.32 S ATOM 0 H CYS A 87 17.032 10.494 -18.446 1.00 65.21 H new ATOM 0 HA CYS A 87 19.300 9.085 -19.230 1.00 32.35 H new ATOM 0 HB2 CYS A 87 18.515 10.846 -16.928 1.00 30.53 H new ATOM 0 HB3 CYS A 87 20.018 9.956 -16.797 1.00 30.53 H new ATOM 0 HG CYS A 87 19.292 12.568 -18.817 1.00 13.32 H new ATOM 1402 N ILE A 88 17.870 7.878 -16.499 1.00 51.13 N ATOM 1403 CA ILE A 88 17.789 6.699 -15.646 1.00 62.24 C ATOM 1404 C ILE A 88 17.644 5.428 -16.476 1.00 70.05 C ATOM 1405 O ILE A 88 18.321 4.430 -16.228 1.00 72.34 O ATOM 1406 CB ILE A 88 16.606 6.795 -14.665 1.00 33.23 C ATOM 1407 CG1 ILE A 88 16.761 8.023 -13.764 1.00 43.41 C ATOM 1408 CG2 ILE A 88 16.507 5.528 -13.830 1.00 3.44 C ATOM 1409 CD1 ILE A 88 15.460 8.486 -13.147 1.00 12.34 C ATOM 0 H ILE A 88 17.228 8.629 -16.244 1.00 51.13 H new ATOM 0 HA ILE A 88 18.719 6.655 -15.079 1.00 62.24 H new ATOM 0 HB ILE A 88 15.685 6.902 -15.238 1.00 33.23 H new ATOM 0 HG12 ILE A 88 17.470 7.793 -12.968 1.00 43.41 H new ATOM 0 HG13 ILE A 88 17.189 8.839 -14.346 1.00 43.41 H new ATOM 0 HG21 ILE A 88 15.666 5.611 -13.141 1.00 3.44 H new ATOM 0 HG22 ILE A 88 16.356 4.671 -14.486 1.00 3.44 H new ATOM 0 HG23 ILE A 88 17.428 5.393 -13.263 1.00 3.44 H new ATOM 0 HD11 ILE A 88 15.645 9.359 -12.521 1.00 12.34 H new ATOM 0 HD12 ILE A 88 14.756 8.748 -13.937 1.00 12.34 H new ATOM 0 HD13 ILE A 88 15.041 7.685 -12.538 1.00 12.34 H new ATOM 1421 N HIS A 89 16.757 5.472 -17.466 1.00 50.12 N ATOM 1422 CA HIS A 89 16.523 4.325 -18.337 1.00 32.22 C ATOM 1423 C HIS A 89 17.701 4.115 -19.283 1.00 50.13 C ATOM 1424 O HIS A 89 18.123 2.966 -19.416 1.00 12.13 O ATOM 1425 CB HIS A 89 15.237 4.520 -19.140 1.00 4.34 C ATOM 1426 CG HIS A 89 14.002 4.553 -18.293 1.00 21.54 C ATOM 1427 ND1 HIS A 89 13.828 3.753 -17.184 1.00 24.24 N ATOM 1428 CD2 HIS A 89 12.876 5.298 -18.398 1.00 2.01 C ATOM 1429 CE1 HIS A 89 12.648 4.004 -16.644 1.00 34.03 C ATOM 1430 NE2 HIS A 89 12.051 4.938 -17.362 1.00 13.30 N ATOM 0 H HIS A 89 16.188 6.290 -17.685 1.00 50.12 H new ATOM 0 HA HIS A 89 16.419 3.439 -17.711 1.00 32.22 H new ATOM 0 HB2 HIS A 89 15.307 5.451 -19.702 1.00 4.34 H new ATOM 0 HB3 HIS A 89 15.147 3.714 -19.868 1.00 4.34 H new ATOM 0 HD2 HIS A 89 12.666 6.038 -19.156 1.00 2.01 H new ATOM 0 HE1 HIS A 89 12.241 3.526 -15.765 1.00 34.03 H new ATOM 0 HE2 HIS A 89 11.127 5.328 -17.177 1.00 13.30 H new ATOM 1438 N ALA A 90 18.224 5.155 -19.923 1.00 73.23 N ATOM 1439 CA ALA A 90 19.351 5.004 -20.836 1.00 40.42 C ATOM 1440 C ALA A 90 20.580 4.470 -20.107 1.00 40.24 C ATOM 1441 O ALA A 90 21.565 4.084 -20.736 1.00 50.32 O ATOM 1442 CB ALA A 90 19.668 6.331 -21.508 1.00 22.42 C ATOM 0 H ALA A 90 17.885 6.112 -19.826 1.00 73.23 H new ATOM 0 HA ALA A 90 19.072 4.280 -21.602 1.00 40.42 H new ATOM 0 HB1 ALA A 90 20.511 6.203 -22.187 1.00 22.42 H new ATOM 0 HB2 ALA A 90 18.798 6.671 -22.070 1.00 22.42 H new ATOM 0 HB3 ALA A 90 19.922 7.071 -20.749 1.00 22.42 H new ATOM 1448 N GLU A 91 20.514 4.453 -18.781 1.00 5.53 N ATOM 1449 CA GLU A 91 21.623 3.967 -17.968 1.00 33.12 C ATOM 1450 C GLU A 91 22.703 5.035 -17.828 1.00 22.23 C ATOM 1451 O GLU A 91 23.894 4.746 -17.936 1.00 41.31 O ATOM 1452 CB GLU A 91 22.220 2.700 -18.584 1.00 5.13 C ATOM 1453 CG GLU A 91 22.846 1.764 -17.565 1.00 4.05 C ATOM 1454 CD GLU A 91 21.924 0.623 -17.178 1.00 11.34 C ATOM 1455 OE1 GLU A 91 20.694 0.838 -17.143 1.00 55.21 O ATOM 1456 OE2 GLU A 91 22.434 -0.486 -16.910 1.00 65.24 O ATOM 0 H GLU A 91 19.705 4.770 -18.246 1.00 5.53 H new ATOM 0 HA GLU A 91 21.237 3.732 -16.976 1.00 33.12 H new ATOM 0 HB2 GLU A 91 21.438 2.165 -19.123 1.00 5.13 H new ATOM 0 HB3 GLU A 91 22.976 2.984 -19.316 1.00 5.13 H new ATOM 0 HG2 GLU A 91 23.772 1.356 -17.972 1.00 4.05 H new ATOM 0 HG3 GLU A 91 23.112 2.330 -16.672 1.00 4.05 H new ATOM 1463 N GLU A 92 22.277 6.272 -17.587 1.00 2.25 N ATOM 1464 CA GLU A 92 23.207 7.384 -17.433 1.00 55.21 C ATOM 1465 C GLU A 92 23.183 7.921 -16.004 1.00 40.34 C ATOM 1466 O GLU A 92 22.146 7.907 -15.342 1.00 25.35 O ATOM 1467 CB GLU A 92 22.865 8.504 -18.416 1.00 61.52 C ATOM 1468 CG GLU A 92 23.316 8.224 -19.840 1.00 42.40 C ATOM 1469 CD GLU A 92 24.720 8.723 -20.116 1.00 34.31 C ATOM 1470 OE1 GLU A 92 25.569 8.646 -19.203 1.00 52.43 O ATOM 1471 OE2 GLU A 92 24.972 9.193 -21.246 1.00 4.20 O ATOM 0 H GLU A 92 21.294 6.528 -17.494 1.00 2.25 H new ATOM 0 HA GLU A 92 24.210 7.016 -17.647 1.00 55.21 H new ATOM 0 HB2 GLU A 92 21.787 8.664 -18.410 1.00 61.52 H new ATOM 0 HB3 GLU A 92 23.327 9.430 -18.073 1.00 61.52 H new ATOM 0 HG2 GLU A 92 23.273 7.151 -20.026 1.00 42.40 H new ATOM 0 HG3 GLU A 92 22.623 8.697 -20.536 1.00 42.40 H new ATOM 1478 N LYS A 93 24.333 8.392 -15.536 1.00 55.14 N ATOM 1479 CA LYS A 93 24.447 8.935 -14.188 1.00 21.04 C ATOM 1480 C LYS A 93 24.618 10.450 -14.224 1.00 30.12 C ATOM 1481 O LYS A 93 25.427 10.975 -14.990 1.00 2.22 O ATOM 1482 CB LYS A 93 25.627 8.294 -13.455 1.00 71.34 C ATOM 1483 CG LYS A 93 25.423 6.822 -13.143 1.00 34.03 C ATOM 1484 CD LYS A 93 26.461 5.955 -13.837 1.00 40.11 C ATOM 1485 CE LYS A 93 26.287 4.487 -13.483 1.00 52.41 C ATOM 1486 NZ LYS A 93 26.454 4.244 -12.023 1.00 22.31 N ATOM 0 H LYS A 93 25.201 8.409 -16.071 1.00 55.14 H new ATOM 0 HA LYS A 93 23.527 8.704 -13.652 1.00 21.04 H new ATOM 0 HB2 LYS A 93 26.525 8.407 -14.062 1.00 71.34 H new ATOM 0 HB3 LYS A 93 25.802 8.833 -12.524 1.00 71.34 H new ATOM 0 HG2 LYS A 93 25.479 6.666 -12.066 1.00 34.03 H new ATOM 0 HG3 LYS A 93 24.425 6.518 -13.457 1.00 34.03 H new ATOM 0 HD2 LYS A 93 26.380 6.082 -14.917 1.00 40.11 H new ATOM 0 HD3 LYS A 93 27.460 6.283 -13.552 1.00 40.11 H new ATOM 0 HE2 LYS A 93 25.298 4.153 -13.796 1.00 52.41 H new ATOM 0 HE3 LYS A 93 27.014 3.892 -14.036 1.00 52.41 H new ATOM 0 HZ1 LYS A 93 26.599 3.228 -11.855 1.00 22.31 H new ATOM 0 HZ2 LYS A 93 27.279 4.774 -11.675 1.00 22.31 H new ATOM 0 HZ3 LYS A 93 25.601 4.560 -11.519 1.00 22.31 H new ATOM 1500 N VAL A 94 23.854 11.148 -13.389 1.00 40.12 N ATOM 1501 CA VAL A 94 23.924 12.603 -13.324 1.00 51.20 C ATOM 1502 C VAL A 94 23.913 13.088 -11.878 1.00 70.33 C ATOM 1503 O VAL A 94 23.419 12.402 -10.984 1.00 3.10 O ATOM 1504 CB VAL A 94 22.753 13.255 -14.082 1.00 1.10 C ATOM 1505 CG1 VAL A 94 22.773 12.848 -15.548 1.00 34.31 C ATOM 1506 CG2 VAL A 94 21.427 12.884 -13.436 1.00 75.31 C ATOM 0 H VAL A 94 23.180 10.729 -12.748 1.00 40.12 H new ATOM 0 HA VAL A 94 24.861 12.898 -13.796 1.00 51.20 H new ATOM 0 HB VAL A 94 22.867 14.338 -14.028 1.00 1.10 H new ATOM 0 HG11 VAL A 94 21.938 13.318 -16.068 1.00 34.31 H new ATOM 0 HG12 VAL A 94 23.710 13.169 -16.002 1.00 34.31 H new ATOM 0 HG13 VAL A 94 22.685 11.764 -15.626 1.00 34.31 H new ATOM 0 HG21 VAL A 94 20.611 13.354 -13.985 1.00 75.31 H new ATOM 0 HG22 VAL A 94 21.303 11.801 -13.457 1.00 75.31 H new ATOM 0 HG23 VAL A 94 21.416 13.231 -12.403 1.00 75.31 H new ATOM 1516 N LYS A 95 24.461 14.278 -11.657 1.00 33.44 N ATOM 1517 CA LYS A 95 24.514 14.859 -10.321 1.00 24.53 C ATOM 1518 C LYS A 95 23.358 15.832 -10.104 1.00 52.02 C ATOM 1519 O LYS A 95 22.792 15.904 -9.014 1.00 64.11 O ATOM 1520 CB LYS A 95 25.847 15.580 -10.107 1.00 73.12 C ATOM 1521 CG LYS A 95 26.738 14.917 -9.070 1.00 41.33 C ATOM 1522 CD LYS A 95 28.205 15.016 -9.450 1.00 70.41 C ATOM 1523 CE LYS A 95 28.985 13.796 -8.987 1.00 42.25 C ATOM 1524 NZ LYS A 95 29.126 12.784 -10.071 1.00 1.14 N ATOM 0 H LYS A 95 24.875 14.859 -12.386 1.00 33.44 H new ATOM 0 HA LYS A 95 24.426 14.049 -9.597 1.00 24.53 H new ATOM 0 HB2 LYS A 95 26.381 15.627 -11.056 1.00 73.12 H new ATOM 0 HB3 LYS A 95 25.650 16.607 -9.801 1.00 73.12 H new ATOM 0 HG2 LYS A 95 26.580 15.387 -8.099 1.00 41.33 H new ATOM 0 HG3 LYS A 95 26.458 13.869 -8.966 1.00 41.33 H new ATOM 0 HD2 LYS A 95 28.296 15.118 -10.531 1.00 70.41 H new ATOM 0 HD3 LYS A 95 28.636 15.914 -9.008 1.00 70.41 H new ATOM 0 HE2 LYS A 95 29.974 14.104 -8.647 1.00 42.25 H new ATOM 0 HE3 LYS A 95 28.481 13.345 -8.132 1.00 42.25 H new ATOM 0 HZ1 LYS A 95 29.664 11.968 -9.716 1.00 1.14 H new ATOM 0 HZ2 LYS A 95 28.183 12.471 -10.378 1.00 1.14 H new ATOM 0 HZ3 LYS A 95 29.630 13.206 -10.877 1.00 1.14 H new ATOM 1538 N ASP A 96 23.015 16.577 -11.149 1.00 4.11 N ATOM 1539 CA ASP A 96 21.925 17.542 -11.073 1.00 72.53 C ATOM 1540 C ASP A 96 21.156 17.599 -12.390 1.00 52.14 C ATOM 1541 O ASP A 96 21.570 17.010 -13.389 1.00 2.31 O ATOM 1542 CB ASP A 96 22.468 18.930 -10.726 1.00 2.41 C ATOM 1543 CG ASP A 96 23.642 19.327 -11.599 1.00 73.22 C ATOM 1544 OD1 ASP A 96 23.756 18.792 -12.722 1.00 62.30 O ATOM 1545 OD2 ASP A 96 24.447 20.174 -11.159 1.00 54.44 O ATOM 0 H ASP A 96 23.476 16.531 -12.058 1.00 4.11 H new ATOM 0 HA ASP A 96 21.242 17.220 -10.287 1.00 72.53 H new ATOM 0 HB2 ASP A 96 21.672 19.666 -10.836 1.00 2.41 H new ATOM 0 HB3 ASP A 96 22.775 18.946 -9.680 1.00 2.41 H new ATOM 1550 N THR A 97 20.034 18.312 -12.385 1.00 15.34 N ATOM 1551 CA THR A 97 19.206 18.442 -13.577 1.00 74.41 C ATOM 1552 C THR A 97 20.008 19.009 -14.744 1.00 20.13 C ATOM 1553 O THR A 97 20.086 18.399 -15.809 1.00 45.42 O ATOM 1554 CB THR A 97 17.988 19.350 -13.318 1.00 51.44 C ATOM 1555 OG1 THR A 97 17.285 18.904 -12.153 1.00 50.33 O ATOM 1556 CG2 THR A 97 17.049 19.349 -14.516 1.00 13.32 C ATOM 0 H THR A 97 19.678 18.808 -11.568 1.00 15.34 H new ATOM 0 HA THR A 97 18.857 17.441 -13.831 1.00 74.41 H new ATOM 0 HB THR A 97 18.346 20.367 -13.158 1.00 51.44 H new ATOM 0 HG1 THR A 97 17.396 19.559 -11.433 1.00 50.33 H new ATOM 0 HG21 THR A 97 16.197 19.997 -14.311 1.00 13.32 H new ATOM 0 HG22 THR A 97 17.580 19.716 -15.395 1.00 13.32 H new ATOM 0 HG23 THR A 97 16.697 18.334 -14.702 1.00 13.32 H new ATOM 1564 N GLU A 98 20.603 20.180 -14.534 1.00 13.31 N ATOM 1565 CA GLU A 98 21.399 20.827 -15.570 1.00 14.23 C ATOM 1566 C GLU A 98 22.371 19.838 -16.208 1.00 23.11 C ATOM 1567 O GLU A 98 22.590 19.861 -17.418 1.00 55.53 O ATOM 1568 CB GLU A 98 22.172 22.011 -14.984 1.00 35.40 C ATOM 1569 CG GLU A 98 23.085 21.632 -13.831 1.00 4.44 C ATOM 1570 CD GLU A 98 24.486 21.275 -14.288 1.00 22.01 C ATOM 1571 OE1 GLU A 98 24.710 21.203 -15.514 1.00 11.11 O ATOM 1572 OE2 GLU A 98 25.358 21.067 -13.418 1.00 31.43 O ATOM 0 H GLU A 98 20.549 20.699 -13.657 1.00 13.31 H new ATOM 0 HA GLU A 98 20.719 21.190 -16.341 1.00 14.23 H new ATOM 0 HB2 GLU A 98 22.768 22.470 -15.772 1.00 35.40 H new ATOM 0 HB3 GLU A 98 21.462 22.764 -14.642 1.00 35.40 H new ATOM 0 HG2 GLU A 98 23.137 22.462 -13.126 1.00 4.44 H new ATOM 0 HG3 GLU A 98 22.655 20.786 -13.295 1.00 4.44 H new ATOM 1579 N GLY A 99 22.948 18.970 -15.384 1.00 14.42 N ATOM 1580 CA GLY A 99 23.889 17.985 -15.885 1.00 54.42 C ATOM 1581 C GLY A 99 23.220 16.921 -16.733 1.00 2.14 C ATOM 1582 O GLY A 99 23.797 16.437 -17.705 1.00 72.34 O ATOM 0 H GLY A 99 22.781 18.931 -14.379 1.00 14.42 H new ATOM 0 HA2 GLY A 99 24.655 18.487 -16.476 1.00 54.42 H new ATOM 0 HA3 GLY A 99 24.395 17.510 -15.044 1.00 54.42 H new ATOM 1586 N ALA A 100 21.997 16.555 -16.361 1.00 11.41 N ATOM 1587 CA ALA A 100 21.247 15.541 -17.094 1.00 32.22 C ATOM 1588 C ALA A 100 21.006 15.974 -18.536 1.00 62.02 C ATOM 1589 O ALA A 100 21.235 15.208 -19.472 1.00 45.32 O ATOM 1590 CB ALA A 100 19.925 15.257 -16.397 1.00 52.42 C ATOM 0 H ALA A 100 21.505 16.945 -15.557 1.00 11.41 H new ATOM 0 HA ALA A 100 21.839 14.626 -17.111 1.00 32.22 H new ATOM 0 HB1 ALA A 100 19.375 14.499 -16.954 1.00 52.42 H new ATOM 0 HB2 ALA A 100 20.117 14.897 -15.386 1.00 52.42 H new ATOM 0 HB3 ALA A 100 19.334 16.172 -16.350 1.00 52.42 H new ATOM 1596 N LYS A 101 20.540 17.207 -18.709 1.00 20.02 N ATOM 1597 CA LYS A 101 20.267 17.743 -20.037 1.00 53.20 C ATOM 1598 C LYS A 101 21.518 17.699 -20.909 1.00 63.22 C ATOM 1599 O LYS A 101 21.469 17.254 -22.056 1.00 15.42 O ATOM 1600 CB LYS A 101 19.754 19.181 -19.934 1.00 12.33 C ATOM 1601 CG LYS A 101 18.369 19.377 -20.524 1.00 65.24 C ATOM 1602 CD LYS A 101 18.149 20.813 -20.967 1.00 33.43 C ATOM 1603 CE LYS A 101 18.798 21.087 -22.315 1.00 34.43 C ATOM 1604 NZ LYS A 101 19.600 22.342 -22.299 1.00 72.23 N ATOM 0 H LYS A 101 20.344 17.854 -17.945 1.00 20.02 H new ATOM 0 HA LYS A 101 19.500 17.123 -20.501 1.00 53.20 H new ATOM 0 HB2 LYS A 101 19.738 19.478 -18.885 1.00 12.33 H new ATOM 0 HB3 LYS A 101 20.453 19.845 -20.443 1.00 12.33 H new ATOM 0 HG2 LYS A 101 18.237 18.709 -21.375 1.00 65.24 H new ATOM 0 HG3 LYS A 101 17.616 19.104 -19.785 1.00 65.24 H new ATOM 0 HD2 LYS A 101 17.080 21.016 -21.029 1.00 33.43 H new ATOM 0 HD3 LYS A 101 18.559 21.492 -20.220 1.00 33.43 H new ATOM 0 HE2 LYS A 101 19.440 20.249 -22.586 1.00 34.43 H new ATOM 0 HE3 LYS A 101 18.027 21.159 -23.082 1.00 34.43 H new ATOM 0 HZ1 LYS A 101 20.026 22.494 -23.236 1.00 72.23 H new ATOM 0 HZ2 LYS A 101 18.983 23.146 -22.065 1.00 72.23 H new ATOM 0 HZ3 LYS A 101 20.352 22.264 -21.585 1.00 72.23 H new ATOM 1618 N GLN A 102 22.635 18.163 -20.358 1.00 1.42 N ATOM 1619 CA GLN A 102 23.898 18.175 -21.086 1.00 60.43 C ATOM 1620 C GLN A 102 24.169 16.819 -21.729 1.00 20.51 C ATOM 1621 O GLN A 102 24.568 16.741 -22.892 1.00 44.11 O ATOM 1622 CB GLN A 102 25.048 18.547 -20.149 1.00 64.31 C ATOM 1623 CG GLN A 102 26.211 19.229 -20.853 1.00 45.33 C ATOM 1624 CD GLN A 102 27.518 19.075 -20.102 1.00 33.34 C ATOM 1625 OE1 GLN A 102 28.107 17.994 -20.071 1.00 44.44 O ATOM 1626 NE2 GLN A 102 27.981 20.159 -19.491 1.00 51.23 N ATOM 0 H GLN A 102 22.691 18.535 -19.410 1.00 1.42 H new ATOM 0 HA GLN A 102 23.826 18.923 -21.875 1.00 60.43 H new ATOM 0 HB2 GLN A 102 24.670 19.206 -19.368 1.00 64.31 H new ATOM 0 HB3 GLN A 102 25.411 17.645 -19.657 1.00 64.31 H new ATOM 0 HG2 GLN A 102 26.320 18.812 -21.854 1.00 45.33 H new ATOM 0 HG3 GLN A 102 25.987 20.289 -20.972 1.00 45.33 H new ATOM 0 HE21 GLN A 102 27.461 21.035 -19.542 1.00 51.23 H new ATOM 0 HE22 GLN A 102 28.857 20.116 -18.970 1.00 51.23 H new ATOM 1635 N ILE A 103 23.950 15.754 -20.966 1.00 51.44 N ATOM 1636 CA ILE A 103 24.170 14.401 -21.462 1.00 44.51 C ATOM 1637 C ILE A 103 23.218 14.073 -22.608 1.00 62.50 C ATOM 1638 O ILE A 103 23.605 13.439 -23.589 1.00 64.42 O ATOM 1639 CB ILE A 103 23.990 13.356 -20.345 1.00 45.24 C ATOM 1640 CG1 ILE A 103 24.995 13.603 -19.218 1.00 41.32 C ATOM 1641 CG2 ILE A 103 24.150 11.950 -20.906 1.00 23.23 C ATOM 1642 CD1 ILE A 103 24.889 12.607 -18.085 1.00 30.02 C ATOM 0 H ILE A 103 23.620 15.802 -20.002 1.00 51.44 H new ATOM 0 HA ILE A 103 25.197 14.361 -21.824 1.00 44.51 H new ATOM 0 HB ILE A 103 22.984 13.452 -19.936 1.00 45.24 H new ATOM 0 HG12 ILE A 103 26.004 13.568 -19.628 1.00 41.32 H new ATOM 0 HG13 ILE A 103 24.846 14.608 -18.823 1.00 41.32 H new ATOM 0 HG21 ILE A 103 24.020 11.222 -20.105 1.00 23.23 H new ATOM 0 HG22 ILE A 103 23.399 11.779 -21.678 1.00 23.23 H new ATOM 0 HG23 ILE A 103 25.145 11.841 -21.337 1.00 23.23 H new ATOM 0 HD11 ILE A 103 25.631 12.843 -17.322 1.00 30.02 H new ATOM 0 HD12 ILE A 103 23.891 12.657 -17.649 1.00 30.02 H new ATOM 0 HD13 ILE A 103 25.068 11.602 -18.466 1.00 30.02 H new ATOM 1654 N VAL A 104 21.970 14.513 -22.477 1.00 34.41 N ATOM 1655 CA VAL A 104 20.962 14.270 -23.502 1.00 72.33 C ATOM 1656 C VAL A 104 21.287 15.032 -24.782 1.00 3.40 C ATOM 1657 O VAL A 104 21.542 14.431 -25.826 1.00 71.44 O ATOM 1658 CB VAL A 104 19.558 14.676 -23.017 1.00 75.52 C ATOM 1659 CG1 VAL A 104 18.529 14.451 -24.114 1.00 24.32 C ATOM 1660 CG2 VAL A 104 19.186 13.907 -21.758 1.00 50.45 C ATOM 0 H VAL A 104 21.633 15.040 -21.671 1.00 34.41 H new ATOM 0 HA VAL A 104 20.970 13.200 -23.707 1.00 72.33 H new ATOM 0 HB VAL A 104 19.569 15.739 -22.775 1.00 75.52 H new ATOM 0 HG11 VAL A 104 17.543 14.743 -23.753 1.00 24.32 H new ATOM 0 HG12 VAL A 104 18.789 15.051 -24.986 1.00 24.32 H new ATOM 0 HG13 VAL A 104 18.516 13.397 -24.390 1.00 24.32 H new ATOM 0 HG21 VAL A 104 18.191 14.207 -21.429 1.00 50.45 H new ATOM 0 HG22 VAL A 104 19.192 12.838 -21.970 1.00 50.45 H new ATOM 0 HG23 VAL A 104 19.909 14.125 -20.972 1.00 50.45 H new ATOM 1670 N ARG A 105 21.274 16.358 -24.694 1.00 44.12 N ATOM 1671 CA ARG A 105 21.565 17.203 -25.847 1.00 12.44 C ATOM 1672 C ARG A 105 22.857 16.763 -26.529 1.00 64.22 C ATOM 1673 O ARG A 105 22.911 16.637 -27.753 1.00 74.15 O ATOM 1674 CB ARG A 105 21.675 18.667 -25.417 1.00 12.22 C ATOM 1675 CG ARG A 105 21.826 19.633 -26.580 1.00 45.25 C ATOM 1676 CD ARG A 105 21.555 21.067 -26.152 1.00 34.21 C ATOM 1677 NE ARG A 105 21.130 21.902 -27.273 1.00 21.35 N ATOM 1678 CZ ARG A 105 19.922 21.835 -27.821 1.00 54.33 C ATOM 1679 NH1 ARG A 105 19.025 20.977 -27.356 1.00 53.42 N ATOM 1680 NH2 ARG A 105 19.609 22.628 -28.837 1.00 71.24 N ATOM 0 H ARG A 105 21.065 16.870 -23.837 1.00 44.12 H new ATOM 0 HA ARG A 105 20.746 17.101 -26.559 1.00 12.44 H new ATOM 0 HB2 ARG A 105 20.787 18.937 -24.845 1.00 12.22 H new ATOM 0 HB3 ARG A 105 22.530 18.778 -24.750 1.00 12.22 H new ATOM 0 HG2 ARG A 105 22.834 19.558 -26.988 1.00 45.25 H new ATOM 0 HG3 ARG A 105 21.138 19.354 -27.378 1.00 45.25 H new ATOM 0 HD2 ARG A 105 20.785 21.076 -25.381 1.00 34.21 H new ATOM 0 HD3 ARG A 105 22.456 21.489 -25.707 1.00 34.21 H new ATOM 0 HE ARG A 105 21.797 22.572 -27.655 1.00 21.35 H new ATOM 0 HH11 ARG A 105 19.261 20.365 -26.575 1.00 53.42 H new ATOM 0 HH12 ARG A 105 18.098 20.928 -27.779 1.00 53.42 H new ATOM 0 HH21 ARG A 105 20.296 23.290 -29.198 1.00 71.24 H new ATOM 0 HH22 ARG A 105 18.681 22.576 -29.257 1.00 71.24 H new ATOM 1694 N ARG A 106 23.894 16.533 -25.731 1.00 52.23 N ATOM 1695 CA ARG A 106 25.186 16.109 -26.259 1.00 42.20 C ATOM 1696 C ARG A 106 25.026 14.911 -27.190 1.00 3.14 C ATOM 1697 O ARG A 106 25.645 14.849 -28.252 1.00 33.33 O ATOM 1698 CB ARG A 106 26.137 15.756 -25.114 1.00 24.00 C ATOM 1699 CG ARG A 106 27.483 15.229 -25.582 1.00 40.50 C ATOM 1700 CD ARG A 106 28.430 15.004 -24.414 1.00 51.30 C ATOM 1701 NE ARG A 106 29.438 16.056 -24.315 1.00 72.22 N ATOM 1702 CZ ARG A 106 30.149 16.293 -23.219 1.00 24.21 C ATOM 1703 NH1 ARG A 106 29.964 15.555 -22.133 1.00 33.23 N ATOM 1704 NH2 ARG A 106 31.047 17.270 -23.207 1.00 1.21 N ATOM 0 H ARG A 106 23.865 16.633 -24.716 1.00 52.23 H new ATOM 0 HA ARG A 106 25.607 16.937 -26.830 1.00 42.20 H new ATOM 0 HB2 ARG A 106 26.297 16.642 -24.499 1.00 24.00 H new ATOM 0 HB3 ARG A 106 25.664 15.008 -24.478 1.00 24.00 H new ATOM 0 HG2 ARG A 106 27.341 14.293 -26.122 1.00 40.50 H new ATOM 0 HG3 ARG A 106 27.928 15.936 -26.282 1.00 40.50 H new ATOM 0 HD2 ARG A 106 27.858 14.962 -23.487 1.00 51.30 H new ATOM 0 HD3 ARG A 106 28.924 14.039 -24.528 1.00 51.30 H new ATOM 0 HE ARG A 106 29.605 16.641 -25.133 1.00 72.22 H new ATOM 0 HH11 ARG A 106 29.274 14.803 -22.138 1.00 33.23 H new ATOM 0 HH12 ARG A 106 30.511 15.739 -21.292 1.00 33.23 H new ATOM 0 HH21 ARG A 106 31.192 17.840 -24.040 1.00 1.21 H new ATOM 0 HH22 ARG A 106 31.592 17.451 -22.364 1.00 1.21 H new ATOM 1718 N HIS A 107 24.191 13.959 -26.783 1.00 12.40 N ATOM 1719 CA HIS A 107 23.950 12.762 -27.581 1.00 5.45 C ATOM 1720 C HIS A 107 23.199 13.106 -28.864 1.00 21.25 C ATOM 1721 O HIS A 107 23.346 12.352 -29.827 1.00 12.05 O ATOM 1722 CB HIS A 107 23.155 11.736 -26.772 1.00 42.41 C ATOM 1723 CG HIS A 107 23.997 10.942 -25.820 1.00 45.22 C ATOM 1724 ND1 HIS A 107 25.304 10.592 -26.083 1.00 23.45 N ATOM 1725 CD2 HIS A 107 23.710 10.430 -24.600 1.00 32.03 C ATOM 1726 CE1 HIS A 107 25.785 9.899 -25.066 1.00 4.05 C ATOM 1727 NE2 HIS A 107 24.838 9.788 -24.152 1.00 65.12 N ATOM 0 H HIS A 107 23.671 13.994 -25.906 1.00 12.40 H new ATOM 0 HA HIS A 107 24.916 12.334 -27.849 1.00 5.45 H new ATOM 0 HB2 HIS A 107 22.376 12.252 -26.211 1.00 42.41 H new ATOM 0 HB3 HIS A 107 22.655 11.053 -27.458 1.00 42.41 H new ATOM 0 HD2 HIS A 107 22.769 10.511 -24.077 1.00 32.03 H new ATOM 0 HE1 HIS A 107 26.783 9.492 -24.994 1.00 4.05 H new ATOM 0 HE2 HIS A 107 24.930 9.304 -23.259 1.00 65.12 H new ATOM 1735 N LEU A 108 22.427 14.186 -28.903 1.00 24.25 N ATOM 1736 CA LEU A 108 21.689 14.556 -30.106 1.00 60.22 C ATOM 1737 C LEU A 108 22.563 15.378 -31.048 1.00 72.12 C ATOM 1738 O LEU A 108 22.572 15.153 -32.259 1.00 32.12 O ATOM 1739 CB LEU A 108 20.434 15.348 -29.736 1.00 32.53 C ATOM 1740 CG LEU A 108 19.371 14.589 -28.942 1.00 1.41 C ATOM 1741 CD1 LEU A 108 18.579 15.542 -28.061 1.00 72.41 C ATOM 1742 CD2 LEU A 108 18.443 13.832 -29.880 1.00 51.05 C ATOM 0 H LEU A 108 22.296 14.821 -28.116 1.00 24.25 H new ATOM 0 HA LEU A 108 21.394 13.640 -30.618 1.00 60.22 H new ATOM 0 HB2 LEU A 108 20.737 16.221 -29.157 1.00 32.53 H new ATOM 0 HB3 LEU A 108 19.978 15.717 -30.655 1.00 32.53 H new ATOM 0 HG LEU A 108 19.874 13.866 -28.299 1.00 1.41 H new ATOM 0 HD11 LEU A 108 17.827 14.983 -27.504 1.00 72.41 H new ATOM 0 HD12 LEU A 108 19.254 16.038 -27.363 1.00 72.41 H new ATOM 0 HD13 LEU A 108 18.087 16.290 -28.684 1.00 72.41 H new ATOM 0 HD21 LEU A 108 17.693 13.298 -29.297 1.00 51.05 H new ATOM 0 HD22 LEU A 108 17.949 14.536 -30.549 1.00 51.05 H new ATOM 0 HD23 LEU A 108 19.022 13.119 -30.467 1.00 51.05 H new