USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 840 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 21 ASN :FLIP amide:sc= 0.0572 F(o=-1.4,f=0.1) USER MOD Set 1.2: A 23 THR OG1 : rot 19:sc= 0.0426 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0791 X(o=-0.079,f=-0.14) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.117 F(o=-1,f=-0.12) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.354 K(o=0.35,f=-1.5) USER MOD Single : A 32 ASN : amide:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc=-0.00268 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.171 F(o=-1.6!,f=-0.17) USER MOD Single : A 46 HIS : no HD1:sc= -0.0724 X(o=-0.072,f=-0.00019) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= -0.0419 (180deg=-0.252) USER MOD Single : A 53 GLN :FLIP amide:sc=-0.00965 F(o=-0.78,f=-0.0097) USER MOD Single : A 56 HIS : no HD1:sc= -0.041 X(o=-0.041,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -173:sc= 0.426 (180deg=0.403) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0272 X(o=-0.027,f=-0.0013) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.06 K(o=-1.1,f=-4.4!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 76:sc= -0.0608 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -6:sc= 0.151 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.83! C(o=-1.8!,f=-2.9!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot -33:sc= 0.148 USER MOD Single : A 100 THR OG1 : rot -94:sc= 1.07 USER MOD Single : A 105 THR OG1 : rot 81:sc= 0.0117 USER MOD Single : A 107 THR OG1 : rot 180:sc=-0.00528 USER MOD Single : A 108 GLN : amide:sc=-0.00681 X(o=-0.0068,f=-0.22) USER MOD Single : A 109 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 7.822 -14.068 -5.587 1.00 71.43 N ATOM 38 CA ASP A 3 8.930 -13.242 -5.096 1.00 21.32 C ATOM 39 C ASP A 3 8.449 -12.337 -3.941 1.00 13.35 C ATOM 40 O ASP A 3 7.237 -12.110 -3.774 1.00 70.24 O ATOM 41 CB ASP A 3 9.508 -12.402 -6.267 1.00 73.11 C ATOM 42 CG ASP A 3 10.694 -11.515 -5.861 1.00 55.11 C ATOM 43 OD1 ASP A 3 10.605 -10.283 -5.974 1.00 15.04 O ATOM 44 OD2 ASP A 3 11.706 -12.055 -5.377 1.00 51.50 O ATOM 0 HA ASP A 3 9.721 -13.884 -4.708 1.00 21.32 H new ATOM 0 HB2 ASP A 3 9.824 -13.075 -7.064 1.00 73.11 H new ATOM 0 HB3 ASP A 3 8.718 -11.773 -6.676 1.00 73.11 H new ATOM 49 N ILE A 4 9.419 -11.840 -3.154 1.00 43.42 N ATOM 50 CA ILE A 4 9.191 -10.984 -1.978 1.00 45.32 C ATOM 51 C ILE A 4 9.090 -9.498 -2.385 1.00 52.35 C ATOM 52 O ILE A 4 8.108 -8.821 -2.046 1.00 31.24 O ATOM 53 CB ILE A 4 10.362 -11.181 -0.937 1.00 2.22 C ATOM 54 CG1 ILE A 4 10.425 -12.666 -0.443 1.00 64.34 C ATOM 55 CG2 ILE A 4 10.277 -10.188 0.246 1.00 71.21 C ATOM 56 CD1 ILE A 4 9.138 -13.205 0.179 1.00 63.21 C ATOM 0 H ILE A 4 10.407 -12.027 -3.323 1.00 43.42 H new ATOM 0 HA ILE A 4 8.246 -11.275 -1.520 1.00 45.32 H new ATOM 0 HB ILE A 4 11.294 -10.957 -1.456 1.00 2.22 H new ATOM 0 HG12 ILE A 4 10.694 -13.301 -1.287 1.00 64.34 H new ATOM 0 HG13 ILE A 4 11.227 -12.754 0.290 1.00 64.34 H new ATOM 0 HG21 ILE A 4 11.105 -10.367 0.931 1.00 71.21 H new ATOM 0 HG22 ILE A 4 10.332 -9.167 -0.131 1.00 71.21 H new ATOM 0 HG23 ILE A 4 9.333 -10.329 0.773 1.00 71.21 H new ATOM 0 HD11 ILE A 4 9.288 -14.240 0.487 1.00 63.21 H new ATOM 0 HD12 ILE A 4 8.874 -12.602 1.048 1.00 63.21 H new ATOM 0 HD13 ILE A 4 8.332 -13.158 -0.554 1.00 63.21 H new ATOM 68 N VAL A 5 10.107 -9.022 -3.144 1.00 71.13 N ATOM 69 CA VAL A 5 10.273 -7.592 -3.499 1.00 63.24 C ATOM 70 C VAL A 5 9.111 -7.120 -4.405 1.00 64.13 C ATOM 71 O VAL A 5 8.577 -6.017 -4.239 1.00 1.30 O ATOM 72 CB VAL A 5 11.652 -7.342 -4.232 1.00 1.10 C ATOM 73 CG1 VAL A 5 11.955 -5.838 -4.404 1.00 43.13 C ATOM 74 CG2 VAL A 5 12.818 -8.044 -3.505 1.00 5.10 C ATOM 0 H VAL A 5 10.837 -9.621 -3.528 1.00 71.13 H new ATOM 0 HA VAL A 5 10.263 -7.018 -2.572 1.00 63.24 H new ATOM 0 HB VAL A 5 11.555 -7.778 -5.226 1.00 1.10 H new ATOM 0 HG11 VAL A 5 12.912 -5.715 -4.912 1.00 43.13 H new ATOM 0 HG12 VAL A 5 11.167 -5.374 -4.997 1.00 43.13 H new ATOM 0 HG13 VAL A 5 12.001 -5.362 -3.425 1.00 43.13 H new ATOM 0 HG21 VAL A 5 13.749 -7.849 -4.038 1.00 5.10 H new ATOM 0 HG22 VAL A 5 12.896 -7.661 -2.487 1.00 5.10 H new ATOM 0 HG23 VAL A 5 12.634 -9.118 -3.476 1.00 5.10 H new ATOM 84 N GLU A 6 8.737 -8.005 -5.352 1.00 2.31 N ATOM 85 CA GLU A 6 7.617 -7.806 -6.286 1.00 45.30 C ATOM 86 C GLU A 6 6.289 -7.660 -5.529 1.00 53.43 C ATOM 87 O GLU A 6 5.594 -6.654 -5.680 1.00 75.50 O ATOM 88 CB GLU A 6 7.519 -9.011 -7.262 1.00 14.12 C ATOM 89 CG GLU A 6 6.290 -8.969 -8.192 1.00 50.51 C ATOM 90 CD GLU A 6 6.050 -10.284 -8.936 1.00 14.11 C ATOM 91 OE1 GLU A 6 5.418 -11.200 -8.358 1.00 4.54 O ATOM 92 OE2 GLU A 6 6.468 -10.406 -10.106 1.00 30.01 O ATOM 0 H GLU A 6 9.217 -8.895 -5.489 1.00 2.31 H new ATOM 0 HA GLU A 6 7.804 -6.890 -6.847 1.00 45.30 H new ATOM 0 HB2 GLU A 6 8.422 -9.045 -7.872 1.00 14.12 H new ATOM 0 HB3 GLU A 6 7.491 -9.933 -6.682 1.00 14.12 H new ATOM 0 HG2 GLU A 6 5.405 -8.726 -7.603 1.00 50.51 H new ATOM 0 HG3 GLU A 6 6.420 -8.167 -8.918 1.00 50.51 H new ATOM 99 N ALA A 7 5.974 -8.680 -4.701 1.00 13.02 N ATOM 100 CA ALA A 7 4.694 -8.767 -3.979 1.00 25.33 C ATOM 101 C ALA A 7 4.525 -7.598 -2.990 1.00 53.43 C ATOM 102 O ALA A 7 3.411 -7.167 -2.720 1.00 31.34 O ATOM 103 CB ALA A 7 4.572 -10.126 -3.269 1.00 20.34 C ATOM 0 H ALA A 7 6.601 -9.463 -4.517 1.00 13.02 H new ATOM 0 HA ALA A 7 3.886 -8.689 -4.707 1.00 25.33 H new ATOM 0 HB1 ALA A 7 3.621 -10.176 -2.739 1.00 20.34 H new ATOM 0 HB2 ALA A 7 4.619 -10.927 -4.006 1.00 20.34 H new ATOM 0 HB3 ALA A 7 5.390 -10.239 -2.557 1.00 20.34 H new ATOM 109 N ALA A 8 5.655 -7.075 -2.490 1.00 71.30 N ATOM 110 CA ALA A 8 5.684 -5.918 -1.582 1.00 63.23 C ATOM 111 C ALA A 8 5.350 -4.609 -2.318 1.00 65.42 C ATOM 112 O ALA A 8 4.529 -3.814 -1.855 1.00 13.33 O ATOM 113 CB ALA A 8 7.066 -5.810 -0.948 1.00 20.35 C ATOM 0 H ALA A 8 6.581 -7.445 -2.706 1.00 71.30 H new ATOM 0 HA ALA A 8 4.927 -6.071 -0.813 1.00 63.23 H new ATOM 0 HB1 ALA A 8 7.091 -4.953 -0.274 1.00 20.35 H new ATOM 0 HB2 ALA A 8 7.281 -6.719 -0.387 1.00 20.35 H new ATOM 0 HB3 ALA A 8 7.815 -5.680 -1.729 1.00 20.35 H new ATOM 119 N LYS A 9 6.016 -4.407 -3.466 1.00 31.43 N ATOM 120 CA LYS A 9 5.918 -3.170 -4.260 1.00 21.22 C ATOM 121 C LYS A 9 4.517 -3.025 -4.892 1.00 43.41 C ATOM 122 O LYS A 9 3.900 -1.954 -4.813 1.00 54.41 O ATOM 123 CB LYS A 9 7.024 -3.164 -5.350 1.00 13.30 C ATOM 124 CG LYS A 9 7.140 -1.839 -6.135 1.00 64.23 C ATOM 125 CD LYS A 9 8.202 -1.895 -7.257 1.00 32.12 C ATOM 126 CE LYS A 9 8.352 -0.551 -7.983 1.00 21.41 C ATOM 127 NZ LYS A 9 9.334 -0.623 -9.100 1.00 64.24 N ATOM 0 H LYS A 9 6.642 -5.102 -3.873 1.00 31.43 H new ATOM 0 HA LYS A 9 6.066 -2.315 -3.600 1.00 21.22 H new ATOM 0 HB2 LYS A 9 7.983 -3.378 -4.878 1.00 13.30 H new ATOM 0 HB3 LYS A 9 6.828 -3.973 -6.054 1.00 13.30 H new ATOM 0 HG2 LYS A 9 6.171 -1.595 -6.571 1.00 64.23 H new ATOM 0 HG3 LYS A 9 7.391 -1.034 -5.444 1.00 64.23 H new ATOM 0 HD2 LYS A 9 9.163 -2.185 -6.831 1.00 32.12 H new ATOM 0 HD3 LYS A 9 7.927 -2.666 -7.977 1.00 32.12 H new ATOM 0 HE2 LYS A 9 7.383 -0.240 -8.373 1.00 21.41 H new ATOM 0 HE3 LYS A 9 8.669 0.211 -7.271 1.00 21.41 H new ATOM 0 HZ1 LYS A 9 9.403 0.306 -9.562 1.00 64.24 H new ATOM 0 HZ2 LYS A 9 10.266 -0.894 -8.726 1.00 64.24 H new ATOM 0 HZ3 LYS A 9 9.020 -1.332 -9.793 1.00 64.24 H new ATOM 141 N GLN A 10 4.029 -4.131 -5.491 1.00 3.12 N ATOM 142 CA GLN A 10 2.685 -4.209 -6.091 1.00 61.33 C ATOM 143 C GLN A 10 1.604 -3.988 -5.023 1.00 21.45 C ATOM 144 O GLN A 10 0.602 -3.312 -5.281 1.00 44.41 O ATOM 145 CB GLN A 10 2.467 -5.578 -6.799 1.00 44.25 C ATOM 146 CG GLN A 10 3.309 -5.796 -8.070 1.00 43.11 C ATOM 147 CD GLN A 10 3.021 -4.751 -9.155 1.00 2.53 C ATOM 148 OE1 GLN A 10 3.672 -3.706 -9.225 1.00 20.21 O ATOM 149 NE2 GLN A 10 2.017 -5.006 -9.987 1.00 51.51 N ATOM 0 H GLN A 10 4.560 -4.998 -5.571 1.00 3.12 H new ATOM 0 HA GLN A 10 2.607 -3.420 -6.839 1.00 61.33 H new ATOM 0 HB2 GLN A 10 2.692 -6.376 -6.091 1.00 44.25 H new ATOM 0 HB3 GLN A 10 1.413 -5.671 -7.060 1.00 44.25 H new ATOM 0 HG2 GLN A 10 4.367 -5.763 -7.810 1.00 43.11 H new ATOM 0 HG3 GLN A 10 3.109 -6.791 -8.467 1.00 43.11 H new ATOM 0 HE21 GLN A 10 1.496 -5.879 -9.905 1.00 51.51 H new ATOM 0 HE22 GLN A 10 1.767 -4.329 -10.707 1.00 51.51 H new ATOM 158 N ALA A 11 1.833 -4.564 -3.824 1.00 62.12 N ATOM 159 CA ALA A 11 0.950 -4.375 -2.673 1.00 44.33 C ATOM 160 C ALA A 11 0.831 -2.892 -2.299 1.00 24.24 C ATOM 161 O ALA A 11 -0.282 -2.366 -2.202 1.00 33.02 O ATOM 162 CB ALA A 11 1.454 -5.190 -1.483 1.00 11.43 C ATOM 0 H ALA A 11 2.633 -5.168 -3.636 1.00 62.12 H new ATOM 0 HA ALA A 11 -0.044 -4.728 -2.947 1.00 44.33 H new ATOM 0 HB1 ALA A 11 0.789 -5.041 -0.632 1.00 11.43 H new ATOM 0 HB2 ALA A 11 1.473 -6.247 -1.748 1.00 11.43 H new ATOM 0 HB3 ALA A 11 2.460 -4.864 -1.218 1.00 11.43 H new ATOM 168 N ALA A 12 1.997 -2.230 -2.160 1.00 10.22 N ATOM 169 CA ALA A 12 2.093 -0.831 -1.720 1.00 12.43 C ATOM 170 C ALA A 12 1.279 0.118 -2.619 1.00 50.52 C ATOM 171 O ALA A 12 0.395 0.832 -2.135 1.00 32.11 O ATOM 172 CB ALA A 12 3.562 -0.393 -1.668 1.00 23.23 C ATOM 0 H ALA A 12 2.903 -2.658 -2.352 1.00 10.22 H new ATOM 0 HA ALA A 12 1.664 -0.772 -0.720 1.00 12.43 H new ATOM 0 HB1 ALA A 12 3.621 0.645 -1.341 1.00 23.23 H new ATOM 0 HB2 ALA A 12 4.106 -1.026 -0.967 1.00 23.23 H new ATOM 0 HB3 ALA A 12 4.005 -0.486 -2.660 1.00 23.23 H new ATOM 178 N ILE A 13 1.562 0.062 -3.937 1.00 62.21 N ATOM 179 CA ILE A 13 0.949 0.946 -4.949 1.00 72.32 C ATOM 180 C ILE A 13 -0.586 0.720 -5.027 1.00 41.40 C ATOM 181 O ILE A 13 -1.357 1.679 -5.122 1.00 73.21 O ATOM 182 CB ILE A 13 1.622 0.717 -6.365 1.00 60.44 C ATOM 183 CG1 ILE A 13 3.172 0.945 -6.279 1.00 1.43 C ATOM 184 CG2 ILE A 13 0.989 1.621 -7.459 1.00 15.32 C ATOM 185 CD1 ILE A 13 3.952 0.608 -7.547 1.00 14.04 C ATOM 0 H ILE A 13 2.227 -0.603 -4.331 1.00 62.21 H new ATOM 0 HA ILE A 13 1.121 1.979 -4.648 1.00 72.32 H new ATOM 0 HB ILE A 13 1.437 -0.317 -6.655 1.00 60.44 H new ATOM 0 HG12 ILE A 13 3.356 1.989 -6.026 1.00 1.43 H new ATOM 0 HG13 ILE A 13 3.566 0.344 -5.459 1.00 1.43 H new ATOM 0 HG21 ILE A 13 1.479 1.433 -8.414 1.00 15.32 H new ATOM 0 HG22 ILE A 13 -0.074 1.397 -7.546 1.00 15.32 H new ATOM 0 HG23 ILE A 13 1.118 2.668 -7.185 1.00 15.32 H new ATOM 0 HD11 ILE A 13 5.012 0.800 -7.384 1.00 14.04 H new ATOM 0 HD12 ILE A 13 3.808 -0.444 -7.794 1.00 14.04 H new ATOM 0 HD13 ILE A 13 3.594 1.227 -8.370 1.00 14.04 H new ATOM 197 N ALA A 14 -1.012 -0.561 -4.933 1.00 71.12 N ATOM 198 CA ALA A 14 -2.437 -0.959 -5.027 1.00 23.34 C ATOM 199 C ALA A 14 -3.268 -0.479 -3.819 1.00 41.10 C ATOM 200 O ALA A 14 -4.471 -0.218 -3.956 1.00 20.41 O ATOM 201 CB ALA A 14 -2.551 -2.472 -5.172 1.00 32.34 C ATOM 0 H ALA A 14 -0.379 -1.348 -4.790 1.00 71.12 H new ATOM 0 HA ALA A 14 -2.847 -0.472 -5.912 1.00 23.34 H new ATOM 0 HB1 ALA A 14 -3.602 -2.753 -5.240 1.00 32.34 H new ATOM 0 HB2 ALA A 14 -2.031 -2.791 -6.075 1.00 32.34 H new ATOM 0 HB3 ALA A 14 -2.102 -2.956 -4.305 1.00 32.34 H new ATOM 207 N ILE A 15 -2.615 -0.388 -2.644 1.00 3.05 N ATOM 208 CA ILE A 15 -3.220 0.169 -1.415 1.00 21.21 C ATOM 209 C ILE A 15 -3.609 1.656 -1.633 1.00 74.30 C ATOM 210 O ILE A 15 -4.680 2.093 -1.207 1.00 53.21 O ATOM 211 CB ILE A 15 -2.240 -0.035 -0.177 1.00 4.21 C ATOM 212 CG1 ILE A 15 -2.181 -1.557 0.209 1.00 0.52 C ATOM 213 CG2 ILE A 15 -2.617 0.841 1.047 1.00 64.35 C ATOM 214 CD1 ILE A 15 -1.214 -1.916 1.332 1.00 61.11 C ATOM 0 H ILE A 15 -1.652 -0.699 -2.519 1.00 3.05 H new ATOM 0 HA ILE A 15 -4.139 -0.369 -1.185 1.00 21.21 H new ATOM 0 HB ILE A 15 -1.249 0.298 -0.487 1.00 4.21 H new ATOM 0 HG12 ILE A 15 -3.181 -1.879 0.499 1.00 0.52 H new ATOM 0 HG13 ILE A 15 -1.907 -2.128 -0.678 1.00 0.52 H new ATOM 0 HG21 ILE A 15 -1.912 0.657 1.857 1.00 64.35 H new ATOM 0 HG22 ILE A 15 -2.580 1.894 0.766 1.00 64.35 H new ATOM 0 HG23 ILE A 15 -3.624 0.589 1.378 1.00 64.35 H new ATOM 0 HD11 ILE A 15 -1.253 -2.990 1.517 1.00 61.11 H new ATOM 0 HD12 ILE A 15 -0.201 -1.634 1.044 1.00 61.11 H new ATOM 0 HD13 ILE A 15 -1.495 -1.381 2.239 1.00 61.11 H new ATOM 226 N PHE A 16 -2.755 2.397 -2.367 1.00 74.24 N ATOM 227 CA PHE A 16 -3.013 3.815 -2.720 1.00 70.42 C ATOM 228 C PHE A 16 -4.077 3.930 -3.830 1.00 30.52 C ATOM 229 O PHE A 16 -4.874 4.874 -3.839 1.00 20.42 O ATOM 230 CB PHE A 16 -1.701 4.514 -3.156 1.00 21.12 C ATOM 231 CG PHE A 16 -0.600 4.437 -2.105 1.00 30.43 C ATOM 232 CD1 PHE A 16 -0.823 4.902 -0.809 1.00 14.22 C ATOM 233 CD2 PHE A 16 0.646 3.890 -2.402 1.00 71.32 C ATOM 234 CE1 PHE A 16 0.164 4.823 0.152 1.00 64.35 C ATOM 235 CE2 PHE A 16 1.629 3.814 -1.440 1.00 42.03 C ATOM 236 CZ PHE A 16 1.385 4.276 -0.165 1.00 35.24 C ATOM 0 H PHE A 16 -1.873 2.037 -2.731 1.00 74.24 H new ATOM 0 HA PHE A 16 -3.398 4.315 -1.831 1.00 70.42 H new ATOM 0 HB2 PHE A 16 -1.344 4.059 -4.080 1.00 21.12 H new ATOM 0 HB3 PHE A 16 -1.911 5.561 -3.377 1.00 21.12 H new ATOM 0 HD1 PHE A 16 -1.781 5.330 -0.554 1.00 14.22 H new ATOM 0 HD2 PHE A 16 0.844 3.521 -3.398 1.00 71.32 H new ATOM 0 HE1 PHE A 16 -0.022 5.190 1.151 1.00 64.35 H new ATOM 0 HE2 PHE A 16 2.592 3.392 -1.685 1.00 42.03 H new ATOM 0 HZ PHE A 16 2.156 4.208 0.588 1.00 35.24 H new ATOM 246 N GLN A 17 -4.082 2.946 -4.753 1.00 13.34 N ATOM 247 CA GLN A 17 -5.065 2.874 -5.857 1.00 44.44 C ATOM 248 C GLN A 17 -6.484 2.552 -5.329 1.00 61.44 C ATOM 249 O GLN A 17 -7.480 2.841 -6.004 1.00 41.33 O ATOM 250 CB GLN A 17 -4.619 1.846 -6.930 1.00 74.33 C ATOM 251 CG GLN A 17 -3.334 2.236 -7.691 1.00 60.23 C ATOM 252 CD GLN A 17 -2.915 1.203 -8.744 1.00 3.32 C ATOM 253 OE1 GLN A 17 -2.088 0.239 -8.352 1.00 3.43 O flip ATOM 254 NE2 GLN A 17 -3.332 1.269 -9.905 1.00 64.12 N flip ATOM 0 H GLN A 17 -3.408 2.181 -4.755 1.00 13.34 H new ATOM 0 HA GLN A 17 -5.107 3.856 -6.329 1.00 44.44 H new ATOM 0 HB2 GLN A 17 -4.463 0.881 -6.448 1.00 74.33 H new ATOM 0 HB3 GLN A 17 -5.428 1.716 -7.649 1.00 74.33 H new ATOM 0 HG2 GLN A 17 -3.487 3.199 -8.178 1.00 60.23 H new ATOM 0 HG3 GLN A 17 -2.522 2.365 -6.976 1.00 60.23 H new ATOM 0 HE21 GLN A 17 -3.966 2.020 -10.177 1.00 64.12 H new ATOM 0 HE22 GLN A 17 -3.042 0.572 -10.591 1.00 64.12 H new ATOM 263 N LEU A 18 -6.564 1.963 -4.117 1.00 32.54 N ATOM 264 CA LEU A 18 -7.841 1.800 -3.402 1.00 23.23 C ATOM 265 C LEU A 18 -8.178 3.070 -2.599 1.00 32.22 C ATOM 266 O LEU A 18 -9.339 3.448 -2.520 1.00 34.50 O ATOM 267 CB LEU A 18 -7.835 0.552 -2.475 1.00 1.24 C ATOM 268 CG LEU A 18 -7.817 -0.838 -3.191 1.00 71.34 C ATOM 269 CD1 LEU A 18 -7.867 -1.995 -2.166 1.00 11.13 C ATOM 270 CD2 LEU A 18 -8.961 -0.958 -4.227 1.00 20.30 C ATOM 0 H LEU A 18 -5.757 1.593 -3.615 1.00 32.54 H new ATOM 0 HA LEU A 18 -8.615 1.642 -4.153 1.00 23.23 H new ATOM 0 HB2 LEU A 18 -6.964 0.613 -1.823 1.00 1.24 H new ATOM 0 HB3 LEU A 18 -8.716 0.596 -1.834 1.00 1.24 H new ATOM 0 HG LEU A 18 -6.875 -0.914 -3.734 1.00 71.34 H new ATOM 0 HD11 LEU A 18 -7.853 -2.949 -2.693 1.00 11.13 H new ATOM 0 HD12 LEU A 18 -7.002 -1.933 -1.505 1.00 11.13 H new ATOM 0 HD13 LEU A 18 -8.781 -1.919 -1.576 1.00 11.13 H new ATOM 0 HD21 LEU A 18 -8.918 -1.937 -4.705 1.00 20.30 H new ATOM 0 HD22 LEU A 18 -9.921 -0.842 -3.724 1.00 20.30 H new ATOM 0 HD23 LEU A 18 -8.851 -0.180 -4.982 1.00 20.30 H new ATOM 282 N TRP A 19 -7.157 3.742 -2.022 1.00 12.33 N ATOM 283 CA TRP A 19 -7.373 4.970 -1.210 1.00 24.23 C ATOM 284 C TRP A 19 -7.966 6.137 -2.037 1.00 32.32 C ATOM 285 O TRP A 19 -8.656 7.008 -1.493 1.00 32.40 O ATOM 286 CB TRP A 19 -6.079 5.397 -0.470 1.00 53.01 C ATOM 287 CG TRP A 19 -5.703 4.535 0.718 1.00 34.42 C ATOM 288 CD1 TRP A 19 -6.391 3.474 1.251 1.00 74.33 C ATOM 289 CD2 TRP A 19 -4.538 4.698 1.534 1.00 31.14 C ATOM 290 NE1 TRP A 19 -5.717 2.972 2.335 1.00 61.10 N ATOM 291 CE2 TRP A 19 -4.578 3.707 2.528 1.00 63.53 C ATOM 292 CE3 TRP A 19 -3.466 5.591 1.511 1.00 65.41 C ATOM 293 CZ2 TRP A 19 -3.583 3.583 3.491 1.00 14.44 C ATOM 294 CZ3 TRP A 19 -2.481 5.469 2.465 1.00 22.32 C ATOM 295 CH2 TRP A 19 -2.546 4.475 3.446 1.00 22.43 C ATOM 0 H TRP A 19 -6.180 3.461 -2.100 1.00 12.33 H new ATOM 0 HA TRP A 19 -8.119 4.715 -0.457 1.00 24.23 H new ATOM 0 HB2 TRP A 19 -5.253 5.389 -1.181 1.00 53.01 H new ATOM 0 HB3 TRP A 19 -6.196 6.426 -0.130 1.00 53.01 H new ATOM 0 HD1 TRP A 19 -7.327 3.090 0.872 1.00 74.33 H new ATOM 0 HE1 TRP A 19 -6.016 2.180 2.905 1.00 61.10 H new ATOM 0 HE3 TRP A 19 -3.410 6.364 0.759 1.00 65.41 H new ATOM 0 HZ2 TRP A 19 -3.627 2.812 4.246 1.00 14.44 H new ATOM 0 HZ3 TRP A 19 -1.645 6.152 2.455 1.00 22.32 H new ATOM 0 HH2 TRP A 19 -1.761 4.410 4.184 1.00 22.43 H new ATOM 306 N LYS A 20 -7.686 6.136 -3.348 1.00 22.02 N ATOM 307 CA LYS A 20 -8.277 7.099 -4.300 1.00 62.43 C ATOM 308 C LYS A 20 -9.620 6.578 -4.874 1.00 64.34 C ATOM 309 O LYS A 20 -10.474 7.379 -5.267 1.00 22.43 O ATOM 310 CB LYS A 20 -7.280 7.386 -5.459 1.00 61.53 C ATOM 311 CG LYS A 20 -6.861 6.127 -6.244 1.00 64.14 C ATOM 312 CD LYS A 20 -5.990 6.420 -7.481 1.00 41.11 C ATOM 313 CE LYS A 20 -6.751 7.176 -8.582 1.00 13.25 C ATOM 314 NZ LYS A 20 -5.880 7.445 -9.765 1.00 20.02 N ATOM 0 H LYS A 20 -7.046 5.471 -3.782 1.00 22.02 H new ATOM 0 HA LYS A 20 -8.478 8.023 -3.758 1.00 62.43 H new ATOM 0 HB2 LYS A 20 -7.733 8.098 -6.148 1.00 61.53 H new ATOM 0 HB3 LYS A 20 -6.389 7.861 -5.050 1.00 61.53 H new ATOM 0 HG2 LYS A 20 -6.314 5.461 -5.577 1.00 64.14 H new ATOM 0 HG3 LYS A 20 -7.757 5.594 -6.562 1.00 64.14 H new ATOM 0 HD2 LYS A 20 -5.122 7.006 -7.178 1.00 41.11 H new ATOM 0 HD3 LYS A 20 -5.614 5.480 -7.886 1.00 41.11 H new ATOM 0 HE2 LYS A 20 -7.618 6.593 -8.893 1.00 13.25 H new ATOM 0 HE3 LYS A 20 -7.127 8.119 -8.184 1.00 13.25 H new ATOM 0 HZ1 LYS A 20 -6.425 7.956 -10.488 1.00 20.02 H new ATOM 0 HZ2 LYS A 20 -5.066 8.022 -9.473 1.00 20.02 H new ATOM 0 HZ3 LYS A 20 -5.542 6.544 -10.159 1.00 20.02 H new ATOM 328 N ASN A 21 -9.786 5.231 -4.936 1.00 13.41 N ATOM 329 CA ASN A 21 -10.989 4.583 -5.509 1.00 20.51 C ATOM 330 C ASN A 21 -11.121 3.130 -4.953 1.00 3.33 C ATOM 331 O ASN A 21 -10.514 2.206 -5.502 1.00 71.01 O ATOM 332 CB ASN A 21 -10.912 4.597 -7.071 1.00 41.14 C ATOM 333 CG ASN A 21 -12.214 4.160 -7.761 1.00 23.20 C ATOM 334 OD1 ASN A 21 -12.361 2.875 -8.017 1.00 11.23 O flip ATOM 335 ND2 ASN A 21 -13.083 4.983 -8.061 1.00 73.44 N flip ATOM 0 H ASN A 21 -9.091 4.569 -4.591 1.00 13.41 H new ATOM 0 HA ASN A 21 -11.880 5.138 -5.215 1.00 20.51 H new ATOM 0 HB2 ASN A 21 -10.656 5.603 -7.404 1.00 41.14 H new ATOM 0 HB3 ASN A 21 -10.104 3.940 -7.391 1.00 41.14 H new ATOM 0 HD21 ASN A 21 -12.943 5.971 -7.851 1.00 73.44 H new ATOM 0 HD22 ASN A 21 -13.941 4.675 -8.519 1.00 73.44 H new ATOM 342 N PRO A 22 -11.901 2.912 -3.829 1.00 64.15 N ATOM 343 CA PRO A 22 -12.004 1.582 -3.134 1.00 24.04 C ATOM 344 C PRO A 22 -12.666 0.485 -3.985 1.00 71.31 C ATOM 345 O PRO A 22 -12.545 -0.708 -3.681 1.00 12.23 O ATOM 346 CB PRO A 22 -12.858 1.899 -1.873 1.00 44.24 C ATOM 347 CG PRO A 22 -13.634 3.127 -2.236 1.00 42.32 C ATOM 348 CD PRO A 22 -12.719 3.938 -3.128 1.00 42.22 C ATOM 0 HA PRO A 22 -11.017 1.176 -2.912 1.00 24.04 H new ATOM 0 HB2 PRO A 22 -13.522 1.070 -1.626 1.00 44.24 H new ATOM 0 HB3 PRO A 22 -12.227 2.073 -1.001 1.00 44.24 H new ATOM 0 HG2 PRO A 22 -14.558 2.868 -2.754 1.00 42.32 H new ATOM 0 HG3 PRO A 22 -13.915 3.691 -1.346 1.00 42.32 H new ATOM 0 HD2 PRO A 22 -13.285 4.547 -3.833 1.00 42.22 H new ATOM 0 HD3 PRO A 22 -12.095 4.618 -2.548 1.00 42.22 H new ATOM 356 N THR A 23 -13.364 0.907 -5.048 1.00 74.30 N ATOM 357 CA THR A 23 -14.081 0.014 -5.962 1.00 74.35 C ATOM 358 C THR A 23 -13.241 -0.300 -7.220 1.00 33.10 C ATOM 359 O THR A 23 -13.773 -0.866 -8.180 1.00 32.22 O ATOM 360 CB THR A 23 -15.454 0.664 -6.358 1.00 2.43 C ATOM 361 OG1 THR A 23 -15.229 2.005 -6.842 1.00 33.44 O ATOM 362 CG2 THR A 23 -16.436 0.701 -5.165 1.00 40.10 C ATOM 0 H THR A 23 -13.446 1.892 -5.299 1.00 74.30 H new ATOM 0 HA THR A 23 -14.264 -0.932 -5.452 1.00 74.35 H new ATOM 0 HB THR A 23 -15.903 0.052 -7.140 1.00 2.43 H new ATOM 0 HG1 THR A 23 -14.289 2.107 -7.098 1.00 33.44 H new ATOM 0 HG21 THR A 23 -17.374 1.158 -5.480 1.00 40.10 H new ATOM 0 HG22 THR A 23 -16.626 -0.315 -4.818 1.00 40.10 H new ATOM 0 HG23 THR A 23 -16.002 1.286 -4.354 1.00 40.10 H new ATOM 370 N ASP A 24 -11.926 0.055 -7.212 1.00 32.04 N ATOM 371 CA ASP A 24 -11.012 -0.286 -8.329 1.00 65.12 C ATOM 372 C ASP A 24 -10.732 -1.798 -8.309 1.00 55.40 C ATOM 373 O ASP A 24 -10.107 -2.288 -7.356 1.00 35.15 O ATOM 374 CB ASP A 24 -9.675 0.505 -8.270 1.00 14.53 C ATOM 375 CG ASP A 24 -8.773 0.200 -9.490 1.00 32.34 C ATOM 376 OD1 ASP A 24 -9.105 0.663 -10.604 1.00 3.23 O ATOM 377 OD2 ASP A 24 -7.762 -0.517 -9.352 1.00 21.21 O ATOM 0 H ASP A 24 -11.483 0.571 -6.452 1.00 32.04 H new ATOM 0 HA ASP A 24 -11.505 -0.003 -9.259 1.00 65.12 H new ATOM 0 HB2 ASP A 24 -9.886 1.574 -8.232 1.00 14.53 H new ATOM 0 HB3 ASP A 24 -9.143 0.252 -7.353 1.00 14.53 H new ATOM 382 N PRO A 25 -11.179 -2.563 -9.356 1.00 42.43 N ATOM 383 CA PRO A 25 -11.175 -4.040 -9.316 1.00 30.32 C ATOM 384 C PRO A 25 -9.754 -4.629 -9.401 1.00 1.34 C ATOM 385 O PRO A 25 -9.471 -5.641 -8.762 1.00 71.35 O ATOM 386 CB PRO A 25 -12.045 -4.423 -10.540 1.00 71.04 C ATOM 387 CG PRO A 25 -11.844 -3.304 -11.516 1.00 4.14 C ATOM 388 CD PRO A 25 -11.683 -2.049 -10.674 1.00 63.41 C ATOM 0 HA PRO A 25 -11.561 -4.438 -8.378 1.00 30.32 H new ATOM 0 HB2 PRO A 25 -11.734 -5.378 -10.963 1.00 71.04 H new ATOM 0 HB3 PRO A 25 -13.095 -4.523 -10.264 1.00 71.04 H new ATOM 0 HG2 PRO A 25 -10.963 -3.477 -12.134 1.00 4.14 H new ATOM 0 HG3 PRO A 25 -12.695 -3.216 -12.192 1.00 4.14 H new ATOM 0 HD2 PRO A 25 -10.979 -1.351 -11.127 1.00 63.41 H new ATOM 0 HD3 PRO A 25 -12.629 -1.519 -10.561 1.00 63.41 H new ATOM 396 N GLU A 26 -8.866 -3.944 -10.146 1.00 25.45 N ATOM 397 CA GLU A 26 -7.500 -4.416 -10.418 1.00 62.32 C ATOM 398 C GLU A 26 -6.633 -4.367 -9.147 1.00 2.21 C ATOM 399 O GLU A 26 -5.960 -5.354 -8.810 1.00 34.10 O ATOM 400 CB GLU A 26 -6.868 -3.552 -11.548 1.00 31.31 C ATOM 401 CG GLU A 26 -7.585 -3.656 -12.914 1.00 71.53 C ATOM 402 CD GLU A 26 -7.485 -5.058 -13.552 1.00 50.40 C ATOM 403 OE1 GLU A 26 -6.464 -5.350 -14.217 1.00 32.52 O ATOM 404 OE2 GLU A 26 -8.413 -5.878 -13.384 1.00 34.40 O ATOM 0 H GLU A 26 -9.079 -3.044 -10.577 1.00 25.45 H new ATOM 0 HA GLU A 26 -7.546 -5.455 -10.744 1.00 62.32 H new ATOM 0 HB2 GLU A 26 -6.866 -2.509 -11.232 1.00 31.31 H new ATOM 0 HB3 GLU A 26 -5.827 -3.849 -11.675 1.00 31.31 H new ATOM 0 HG2 GLU A 26 -8.636 -3.397 -12.785 1.00 71.53 H new ATOM 0 HG3 GLU A 26 -7.158 -2.922 -13.597 1.00 71.53 H new ATOM 411 N ALA A 27 -6.678 -3.216 -8.448 1.00 35.13 N ATOM 412 CA ALA A 27 -5.860 -2.956 -7.251 1.00 23.42 C ATOM 413 C ALA A 27 -6.127 -3.993 -6.147 1.00 21.32 C ATOM 414 O ALA A 27 -5.201 -4.620 -5.643 1.00 22.33 O ATOM 415 CB ALA A 27 -6.120 -1.535 -6.729 1.00 62.14 C ATOM 0 H ALA A 27 -7.287 -2.438 -8.701 1.00 35.13 H new ATOM 0 HA ALA A 27 -4.812 -3.043 -7.537 1.00 23.42 H new ATOM 0 HB1 ALA A 27 -5.510 -1.355 -5.844 1.00 62.14 H new ATOM 0 HB2 ALA A 27 -5.862 -0.811 -7.501 1.00 62.14 H new ATOM 0 HB3 ALA A 27 -7.174 -1.429 -6.470 1.00 62.14 H new ATOM 421 N GLN A 28 -7.413 -4.198 -5.825 1.00 14.21 N ATOM 422 CA GLN A 28 -7.827 -5.130 -4.758 1.00 42.43 C ATOM 423 C GLN A 28 -7.670 -6.614 -5.176 1.00 13.33 C ATOM 424 O GLN A 28 -7.399 -7.463 -4.328 1.00 34.32 O ATOM 425 CB GLN A 28 -9.279 -4.822 -4.304 1.00 61.21 C ATOM 426 CG GLN A 28 -10.349 -4.934 -5.408 1.00 40.03 C ATOM 427 CD GLN A 28 -11.717 -4.413 -4.967 1.00 20.15 C ATOM 428 OE1 GLN A 28 -12.549 -5.158 -4.448 1.00 25.44 O ATOM 429 NE2 GLN A 28 -11.952 -3.122 -5.152 1.00 44.04 N ATOM 0 H GLN A 28 -8.191 -3.729 -6.290 1.00 14.21 H new ATOM 0 HA GLN A 28 -7.158 -4.976 -3.912 1.00 42.43 H new ATOM 0 HB2 GLN A 28 -9.542 -5.503 -3.495 1.00 61.21 H new ATOM 0 HB3 GLN A 28 -9.308 -3.813 -3.893 1.00 61.21 H new ATOM 0 HG2 GLN A 28 -10.019 -4.376 -6.284 1.00 40.03 H new ATOM 0 HG3 GLN A 28 -10.444 -5.977 -5.711 1.00 40.03 H new ATOM 0 HE21 GLN A 28 -11.242 -2.531 -5.585 1.00 44.04 H new ATOM 0 HE22 GLN A 28 -12.843 -2.719 -4.861 1.00 44.04 H new ATOM 438 N GLU A 29 -7.806 -6.918 -6.486 1.00 0.03 N ATOM 439 CA GLU A 29 -7.718 -8.316 -6.990 1.00 62.33 C ATOM 440 C GLU A 29 -6.272 -8.844 -6.927 1.00 74.54 C ATOM 441 O GLU A 29 -6.056 -10.024 -6.619 1.00 73.20 O ATOM 442 CB GLU A 29 -8.286 -8.435 -8.430 1.00 12.42 C ATOM 443 CG GLU A 29 -8.352 -9.878 -8.989 1.00 53.05 C ATOM 444 CD GLU A 29 -9.150 -9.987 -10.298 1.00 50.21 C ATOM 445 OE1 GLU A 29 -8.656 -9.537 -11.345 1.00 13.13 O ATOM 446 OE2 GLU A 29 -10.277 -10.526 -10.287 1.00 35.02 O ATOM 0 H GLU A 29 -7.976 -6.223 -7.213 1.00 0.03 H new ATOM 0 HA GLU A 29 -8.331 -8.936 -6.336 1.00 62.33 H new ATOM 0 HB2 GLU A 29 -9.289 -8.009 -8.445 1.00 12.42 H new ATOM 0 HB3 GLU A 29 -7.673 -7.830 -9.098 1.00 12.42 H new ATOM 0 HG2 GLU A 29 -7.338 -10.241 -9.158 1.00 53.05 H new ATOM 0 HG3 GLU A 29 -8.804 -10.530 -8.241 1.00 53.05 H new ATOM 453 N LEU A 30 -5.278 -7.970 -7.198 1.00 35.42 N ATOM 454 CA LEU A 30 -3.853 -8.349 -7.072 1.00 53.43 C ATOM 455 C LEU A 30 -3.490 -8.513 -5.578 1.00 14.23 C ATOM 456 O LEU A 30 -2.708 -9.394 -5.231 1.00 55.23 O ATOM 457 CB LEU A 30 -2.911 -7.344 -7.831 1.00 75.13 C ATOM 458 CG LEU A 30 -2.693 -5.897 -7.235 1.00 51.23 C ATOM 459 CD1 LEU A 30 -1.549 -5.848 -6.195 1.00 43.10 C ATOM 460 CD2 LEU A 30 -2.453 -4.841 -8.339 1.00 3.34 C ATOM 0 H LEU A 30 -5.433 -7.009 -7.502 1.00 35.42 H new ATOM 0 HA LEU A 30 -3.695 -9.312 -7.558 1.00 53.43 H new ATOM 0 HB2 LEU A 30 -1.932 -7.814 -7.919 1.00 75.13 H new ATOM 0 HB3 LEU A 30 -3.301 -7.228 -8.842 1.00 75.13 H new ATOM 0 HG LEU A 30 -3.622 -5.650 -6.721 1.00 51.23 H new ATOM 0 HD11 LEU A 30 -1.443 -4.831 -5.818 1.00 43.10 H new ATOM 0 HD12 LEU A 30 -1.780 -6.519 -5.368 1.00 43.10 H new ATOM 0 HD13 LEU A 30 -0.616 -6.160 -6.665 1.00 43.10 H new ATOM 0 HD21 LEU A 30 -2.308 -3.862 -7.881 1.00 3.34 H new ATOM 0 HD22 LEU A 30 -1.565 -5.109 -8.912 1.00 3.34 H new ATOM 0 HD23 LEU A 30 -3.316 -4.807 -9.004 1.00 3.34 H new ATOM 472 N LEU A 31 -4.116 -7.674 -4.709 1.00 52.42 N ATOM 473 CA LEU A 31 -3.980 -7.764 -3.229 1.00 64.52 C ATOM 474 C LEU A 31 -4.611 -9.060 -2.675 1.00 23.10 C ATOM 475 O LEU A 31 -4.280 -9.489 -1.577 1.00 42.24 O ATOM 476 CB LEU A 31 -4.636 -6.534 -2.522 1.00 2.21 C ATOM 477 CG LEU A 31 -4.001 -5.139 -2.807 1.00 2.41 C ATOM 478 CD1 LEU A 31 -4.731 -4.008 -2.049 1.00 1.43 C ATOM 479 CD2 LEU A 31 -2.504 -5.134 -2.490 1.00 54.41 C ATOM 0 H LEU A 31 -4.728 -6.917 -5.014 1.00 52.42 H new ATOM 0 HA LEU A 31 -2.911 -7.773 -3.016 1.00 64.52 H new ATOM 0 HB2 LEU A 31 -5.686 -6.495 -2.812 1.00 2.21 H new ATOM 0 HB3 LEU A 31 -4.609 -6.706 -1.446 1.00 2.21 H new ATOM 0 HG LEU A 31 -4.120 -4.946 -3.873 1.00 2.41 H new ATOM 0 HD11 LEU A 31 -4.257 -3.053 -2.276 1.00 1.43 H new ATOM 0 HD12 LEU A 31 -5.775 -3.977 -2.359 1.00 1.43 H new ATOM 0 HD13 LEU A 31 -4.677 -4.195 -0.976 1.00 1.43 H new ATOM 0 HD21 LEU A 31 -2.091 -4.147 -2.699 1.00 54.41 H new ATOM 0 HD22 LEU A 31 -2.354 -5.374 -1.437 1.00 54.41 H new ATOM 0 HD23 LEU A 31 -1.999 -5.877 -3.107 1.00 54.41 H new ATOM 491 N ASN A 32 -5.547 -9.648 -3.433 1.00 54.31 N ATOM 492 CA ASN A 32 -6.202 -10.920 -3.060 1.00 2.14 C ATOM 493 C ASN A 32 -5.238 -12.105 -3.270 1.00 25.14 C ATOM 494 O ASN A 32 -5.306 -13.109 -2.555 1.00 3.15 O ATOM 495 CB ASN A 32 -7.499 -11.112 -3.897 1.00 60.32 C ATOM 496 CG ASN A 32 -8.324 -12.334 -3.470 1.00 55.45 C ATOM 497 OD1 ASN A 32 -8.137 -13.441 -3.978 1.00 5.11 O ATOM 498 ND2 ASN A 32 -9.245 -12.145 -2.534 1.00 32.41 N ATOM 0 H ASN A 32 -5.874 -9.262 -4.319 1.00 54.31 H new ATOM 0 HA ASN A 32 -6.469 -10.884 -2.004 1.00 2.14 H new ATOM 0 HB2 ASN A 32 -8.116 -10.218 -3.808 1.00 60.32 H new ATOM 0 HB3 ASN A 32 -7.232 -11.212 -4.949 1.00 60.32 H new ATOM 0 HD21 ASN A 32 -9.819 -12.927 -2.218 1.00 32.41 H new ATOM 0 HD22 ASN A 32 -9.379 -11.218 -2.130 1.00 32.41 H new ATOM 505 N LYS A 33 -4.331 -11.953 -4.252 1.00 22.13 N ATOM 506 CA LYS A 33 -3.435 -13.026 -4.711 1.00 40.05 C ATOM 507 C LYS A 33 -2.076 -12.990 -3.980 1.00 72.31 C ATOM 508 O LYS A 33 -1.549 -14.038 -3.579 1.00 73.23 O ATOM 509 CB LYS A 33 -3.229 -12.900 -6.245 1.00 43.11 C ATOM 510 CG LYS A 33 -4.546 -12.942 -7.057 1.00 51.40 C ATOM 511 CD LYS A 33 -4.329 -12.798 -8.583 1.00 31.53 C ATOM 512 CE LYS A 33 -3.465 -13.928 -9.173 1.00 40.52 C ATOM 513 NZ LYS A 33 -3.284 -13.777 -10.641 1.00 64.42 N ATOM 0 H LYS A 33 -4.200 -11.074 -4.752 1.00 22.13 H new ATOM 0 HA LYS A 33 -3.899 -13.984 -4.478 1.00 40.05 H new ATOM 0 HB2 LYS A 33 -2.712 -11.964 -6.457 1.00 43.11 H new ATOM 0 HB3 LYS A 33 -2.579 -13.707 -6.583 1.00 43.11 H new ATOM 0 HG2 LYS A 33 -5.058 -13.883 -6.857 1.00 51.40 H new ATOM 0 HG3 LYS A 33 -5.202 -12.143 -6.713 1.00 51.40 H new ATOM 0 HD2 LYS A 33 -5.297 -12.788 -9.084 1.00 31.53 H new ATOM 0 HD3 LYS A 33 -3.854 -11.839 -8.789 1.00 31.53 H new ATOM 0 HE2 LYS A 33 -2.490 -13.932 -8.685 1.00 40.52 H new ATOM 0 HE3 LYS A 33 -3.931 -14.890 -8.962 1.00 40.52 H new ATOM 0 HZ1 LYS A 33 -2.697 -14.557 -11.000 1.00 64.42 H new ATOM 0 HZ2 LYS A 33 -4.212 -13.798 -11.109 1.00 64.42 H new ATOM 0 HZ3 LYS A 33 -2.816 -12.870 -10.842 1.00 64.42 H new ATOM 527 N ILE A 34 -1.511 -11.777 -3.807 1.00 52.14 N ATOM 528 CA ILE A 34 -0.164 -11.594 -3.211 1.00 35.23 C ATOM 529 C ILE A 34 -0.249 -11.309 -1.696 1.00 34.45 C ATOM 530 O ILE A 34 0.735 -11.483 -0.973 1.00 25.44 O ATOM 531 CB ILE A 34 0.645 -10.450 -3.939 1.00 11.03 C ATOM 532 CG1 ILE A 34 0.027 -9.043 -3.654 1.00 50.40 C ATOM 533 CG2 ILE A 34 0.731 -10.728 -5.464 1.00 62.33 C ATOM 534 CD1 ILE A 34 0.730 -7.879 -4.329 1.00 52.13 C ATOM 0 H ILE A 34 -1.967 -10.904 -4.072 1.00 52.14 H new ATOM 0 HA ILE A 34 0.373 -12.532 -3.353 1.00 35.23 H new ATOM 0 HB ILE A 34 1.658 -10.446 -3.536 1.00 11.03 H new ATOM 0 HG12 ILE A 34 -1.016 -9.051 -3.972 1.00 50.40 H new ATOM 0 HG13 ILE A 34 0.031 -8.874 -2.577 1.00 50.40 H new ATOM 0 HG21 ILE A 34 1.292 -9.929 -5.948 1.00 62.33 H new ATOM 0 HG22 ILE A 34 1.236 -11.679 -5.633 1.00 62.33 H new ATOM 0 HG23 ILE A 34 -0.274 -10.771 -5.883 1.00 62.33 H new ATOM 0 HD11 ILE A 34 0.225 -6.949 -4.069 1.00 52.13 H new ATOM 0 HD12 ILE A 34 1.766 -7.836 -3.994 1.00 52.13 H new ATOM 0 HD13 ILE A 34 0.704 -8.016 -5.410 1.00 52.13 H new ATOM 546 N LEU A 35 -1.419 -10.843 -1.235 1.00 60.31 N ATOM 547 CA LEU A 35 -1.698 -10.618 0.201 1.00 73.43 C ATOM 548 C LEU A 35 -2.935 -11.437 0.603 1.00 11.33 C ATOM 549 O LEU A 35 -3.483 -12.201 -0.209 1.00 53.42 O ATOM 550 CB LEU A 35 -1.949 -9.100 0.498 1.00 43.41 C ATOM 551 CG LEU A 35 -0.861 -8.080 0.026 1.00 63.23 C ATOM 552 CD1 LEU A 35 -1.188 -6.652 0.496 1.00 50.24 C ATOM 553 CD2 LEU A 35 0.543 -8.485 0.484 1.00 12.45 C ATOM 0 H LEU A 35 -2.203 -10.610 -1.844 1.00 60.31 H new ATOM 0 HA LEU A 35 -0.831 -10.935 0.781 1.00 73.43 H new ATOM 0 HB2 LEU A 35 -2.895 -8.819 0.036 1.00 43.41 H new ATOM 0 HB3 LEU A 35 -2.073 -8.984 1.575 1.00 43.41 H new ATOM 0 HG LEU A 35 -0.872 -8.094 -1.064 1.00 63.23 H new ATOM 0 HD11 LEU A 35 -0.412 -5.969 0.151 1.00 50.24 H new ATOM 0 HD12 LEU A 35 -2.150 -6.345 0.086 1.00 50.24 H new ATOM 0 HD13 LEU A 35 -1.234 -6.629 1.585 1.00 50.24 H new ATOM 0 HD21 LEU A 35 1.266 -7.749 0.134 1.00 12.45 H new ATOM 0 HD22 LEU A 35 0.571 -8.532 1.573 1.00 12.45 H new ATOM 0 HD23 LEU A 35 0.792 -9.463 0.072 1.00 12.45 H new ATOM 565 N SER A 36 -3.354 -11.282 1.860 1.00 44.41 N ATOM 566 CA SER A 36 -4.593 -11.863 2.370 1.00 21.23 C ATOM 567 C SER A 36 -5.825 -11.053 1.864 1.00 73.11 C ATOM 568 O SER A 36 -5.720 -9.833 1.669 1.00 5.14 O ATOM 569 CB SER A 36 -4.529 -11.857 3.912 1.00 64.43 C ATOM 570 OG SER A 36 -3.318 -12.441 4.370 1.00 10.42 O ATOM 0 H SER A 36 -2.838 -10.745 2.557 1.00 44.41 H new ATOM 0 HA SER A 36 -4.703 -12.886 2.009 1.00 21.23 H new ATOM 0 HB2 SER A 36 -4.606 -10.834 4.279 1.00 64.43 H new ATOM 0 HB3 SER A 36 -5.379 -12.406 4.318 1.00 64.43 H new ATOM 0 HG SER A 36 -3.297 -12.425 5.350 1.00 10.42 H new ATOM 576 N PRO A 37 -7.011 -11.717 1.640 1.00 53.54 N ATOM 577 CA PRO A 37 -8.296 -11.010 1.333 1.00 73.05 C ATOM 578 C PRO A 37 -8.718 -10.008 2.441 1.00 42.55 C ATOM 579 O PRO A 37 -9.521 -9.098 2.204 1.00 60.43 O ATOM 580 CB PRO A 37 -9.319 -12.168 1.187 1.00 23.35 C ATOM 581 CG PRO A 37 -8.482 -13.367 0.838 1.00 43.23 C ATOM 582 CD PRO A 37 -7.190 -13.192 1.608 1.00 11.02 C ATOM 0 HA PRO A 37 -8.216 -10.390 0.440 1.00 73.05 H new ATOM 0 HB2 PRO A 37 -9.874 -12.327 2.112 1.00 23.35 H new ATOM 0 HB3 PRO A 37 -10.051 -11.955 0.408 1.00 23.35 H new ATOM 0 HG2 PRO A 37 -8.985 -14.292 1.119 1.00 43.23 H new ATOM 0 HG3 PRO A 37 -8.296 -13.418 -0.235 1.00 43.23 H new ATOM 0 HD2 PRO A 37 -7.260 -13.611 2.612 1.00 11.02 H new ATOM 0 HD3 PRO A 37 -6.356 -13.688 1.113 1.00 11.02 H new ATOM 590 N ASP A 38 -8.159 -10.213 3.646 1.00 21.03 N ATOM 591 CA ASP A 38 -8.338 -9.326 4.808 1.00 35.13 C ATOM 592 C ASP A 38 -7.691 -7.943 4.562 1.00 20.11 C ATOM 593 O ASP A 38 -8.260 -6.911 4.928 1.00 4.42 O ATOM 594 CB ASP A 38 -7.704 -9.970 6.073 1.00 3.54 C ATOM 595 CG ASP A 38 -8.215 -11.391 6.366 1.00 73.50 C ATOM 596 OD1 ASP A 38 -9.071 -11.566 7.263 1.00 35.52 O ATOM 597 OD2 ASP A 38 -7.769 -12.340 5.678 1.00 11.40 O ATOM 0 H ASP A 38 -7.559 -11.014 3.843 1.00 21.03 H new ATOM 0 HA ASP A 38 -9.409 -9.188 4.960 1.00 35.13 H new ATOM 0 HB2 ASP A 38 -6.621 -10.001 5.950 1.00 3.54 H new ATOM 0 HB3 ASP A 38 -7.909 -9.335 6.935 1.00 3.54 H new ATOM 602 N VAL A 39 -6.498 -7.940 3.926 1.00 12.31 N ATOM 603 CA VAL A 39 -5.690 -6.716 3.746 1.00 4.12 C ATOM 604 C VAL A 39 -6.424 -5.694 2.860 1.00 2.25 C ATOM 605 O VAL A 39 -6.593 -4.542 3.251 1.00 14.34 O ATOM 606 CB VAL A 39 -4.261 -7.009 3.150 1.00 2.11 C ATOM 607 CG1 VAL A 39 -3.441 -5.700 3.026 1.00 74.02 C ATOM 608 CG2 VAL A 39 -3.499 -8.069 3.988 1.00 20.24 C ATOM 0 H VAL A 39 -6.073 -8.777 3.527 1.00 12.31 H new ATOM 0 HA VAL A 39 -5.550 -6.297 4.742 1.00 4.12 H new ATOM 0 HB VAL A 39 -4.396 -7.423 2.151 1.00 2.11 H new ATOM 0 HG11 VAL A 39 -2.458 -5.924 2.613 1.00 74.02 H new ATOM 0 HG12 VAL A 39 -3.962 -5.005 2.367 1.00 74.02 H new ATOM 0 HG13 VAL A 39 -3.326 -5.248 4.011 1.00 74.02 H new ATOM 0 HG21 VAL A 39 -2.518 -8.245 3.547 1.00 20.24 H new ATOM 0 HG22 VAL A 39 -3.378 -7.707 5.009 1.00 20.24 H new ATOM 0 HG23 VAL A 39 -4.065 -9.001 3.998 1.00 20.24 H new ATOM 618 N LEU A 40 -6.889 -6.141 1.682 1.00 45.24 N ATOM 619 CA LEU A 40 -7.617 -5.269 0.734 1.00 11.21 C ATOM 620 C LEU A 40 -8.937 -4.747 1.352 1.00 72.02 C ATOM 621 O LEU A 40 -9.408 -3.658 1.009 1.00 53.11 O ATOM 622 CB LEU A 40 -7.878 -6.037 -0.594 1.00 3.04 C ATOM 623 CG LEU A 40 -8.794 -7.322 -0.506 1.00 40.04 C ATOM 624 CD1 LEU A 40 -10.291 -7.010 -0.720 1.00 62.53 C ATOM 625 CD2 LEU A 40 -8.334 -8.426 -1.463 1.00 63.45 C ATOM 0 H LEU A 40 -6.776 -7.102 1.359 1.00 45.24 H new ATOM 0 HA LEU A 40 -7.000 -4.398 0.516 1.00 11.21 H new ATOM 0 HB2 LEU A 40 -8.331 -5.345 -1.303 1.00 3.04 H new ATOM 0 HB3 LEU A 40 -6.915 -6.334 -1.010 1.00 3.04 H new ATOM 0 HG LEU A 40 -8.682 -7.689 0.514 1.00 40.04 H new ATOM 0 HD11 LEU A 40 -10.869 -7.932 -0.648 1.00 62.53 H new ATOM 0 HD12 LEU A 40 -10.629 -6.309 0.043 1.00 62.53 H new ATOM 0 HD13 LEU A 40 -10.433 -6.569 -1.706 1.00 62.53 H new ATOM 0 HD21 LEU A 40 -8.993 -9.289 -1.367 1.00 63.45 H new ATOM 0 HD22 LEU A 40 -8.367 -8.056 -2.488 1.00 63.45 H new ATOM 0 HD23 LEU A 40 -7.314 -8.720 -1.216 1.00 63.45 H new ATOM 637 N ASP A 41 -9.494 -5.550 2.287 1.00 61.52 N ATOM 638 CA ASP A 41 -10.794 -5.292 2.931 1.00 53.32 C ATOM 639 C ASP A 41 -10.703 -4.195 4.012 1.00 11.40 C ATOM 640 O ASP A 41 -11.689 -3.494 4.267 1.00 53.44 O ATOM 641 CB ASP A 41 -11.365 -6.611 3.521 1.00 73.34 C ATOM 642 CG ASP A 41 -12.764 -6.444 4.143 1.00 1.22 C ATOM 643 OD1 ASP A 41 -12.921 -6.619 5.374 1.00 31.33 O ATOM 644 OD2 ASP A 41 -13.716 -6.131 3.393 1.00 73.30 O ATOM 0 H ASP A 41 -9.045 -6.404 2.617 1.00 61.52 H new ATOM 0 HA ASP A 41 -11.476 -4.920 2.166 1.00 53.32 H new ATOM 0 HB2 ASP A 41 -11.413 -7.363 2.733 1.00 73.34 H new ATOM 0 HB3 ASP A 41 -10.680 -6.988 4.280 1.00 73.34 H new ATOM 649 N GLN A 42 -9.527 -4.045 4.650 1.00 13.24 N ATOM 650 CA GLN A 42 -9.295 -2.954 5.622 1.00 43.45 C ATOM 651 C GLN A 42 -8.847 -1.670 4.883 1.00 21.24 C ATOM 652 O GLN A 42 -9.202 -0.557 5.285 1.00 54.22 O ATOM 653 CB GLN A 42 -8.278 -3.392 6.725 1.00 65.11 C ATOM 654 CG GLN A 42 -6.842 -3.696 6.236 1.00 21.33 C ATOM 655 CD GLN A 42 -5.924 -4.300 7.306 1.00 35.53 C ATOM 656 OE1 GLN A 42 -4.937 -5.074 6.881 1.00 4.31 O flip ATOM 657 NE2 GLN A 42 -6.078 -4.053 8.503 1.00 1.01 N flip ATOM 0 H GLN A 42 -8.725 -4.661 4.513 1.00 13.24 H new ATOM 0 HA GLN A 42 -10.231 -2.729 6.134 1.00 43.45 H new ATOM 0 HB2 GLN A 42 -8.226 -2.605 7.477 1.00 65.11 H new ATOM 0 HB3 GLN A 42 -8.669 -4.281 7.220 1.00 65.11 H new ATOM 0 HG2 GLN A 42 -6.896 -4.383 5.391 1.00 21.33 H new ATOM 0 HG3 GLN A 42 -6.393 -2.773 5.868 1.00 21.33 H new ATOM 0 HE21 GLN A 42 -6.846 -3.454 8.805 1.00 1.01 H new ATOM 0 HE22 GLN A 42 -5.437 -4.448 9.192 1.00 1.01 H new ATOM 666 N VAL A 43 -8.103 -1.848 3.766 1.00 73.24 N ATOM 667 CA VAL A 43 -7.611 -0.738 2.917 1.00 44.04 C ATOM 668 C VAL A 43 -8.785 0.009 2.235 1.00 34.22 C ATOM 669 O VAL A 43 -8.797 1.248 2.200 1.00 40.10 O ATOM 670 CB VAL A 43 -6.576 -1.268 1.843 1.00 34.22 C ATOM 671 CG1 VAL A 43 -6.217 -0.190 0.796 1.00 74.11 C ATOM 672 CG2 VAL A 43 -5.291 -1.802 2.526 1.00 2.12 C ATOM 0 H VAL A 43 -7.826 -2.769 3.427 1.00 73.24 H new ATOM 0 HA VAL A 43 -7.096 -0.026 3.562 1.00 44.04 H new ATOM 0 HB VAL A 43 -7.062 -2.089 1.316 1.00 34.22 H new ATOM 0 HG11 VAL A 43 -5.504 -0.601 0.081 1.00 74.11 H new ATOM 0 HG12 VAL A 43 -7.120 0.122 0.271 1.00 74.11 H new ATOM 0 HG13 VAL A 43 -5.773 0.670 1.297 1.00 74.11 H new ATOM 0 HG21 VAL A 43 -4.597 -2.160 1.766 1.00 2.12 H new ATOM 0 HG22 VAL A 43 -4.822 -1.000 3.097 1.00 2.12 H new ATOM 0 HG23 VAL A 43 -5.549 -2.622 3.196 1.00 2.12 H new ATOM 682 N ARG A 44 -9.785 -0.755 1.735 1.00 43.42 N ATOM 683 CA ARG A 44 -10.968 -0.186 1.035 1.00 4.51 C ATOM 684 C ARG A 44 -11.818 0.709 1.969 1.00 42.33 C ATOM 685 O ARG A 44 -12.568 1.558 1.494 1.00 1.31 O ATOM 686 CB ARG A 44 -11.866 -1.306 0.419 1.00 73.15 C ATOM 687 CG ARG A 44 -12.482 -2.276 1.452 1.00 53.43 C ATOM 688 CD ARG A 44 -13.563 -3.210 0.876 1.00 31.13 C ATOM 689 NE ARG A 44 -13.100 -4.017 -0.276 1.00 30.45 N ATOM 690 CZ ARG A 44 -13.611 -5.210 -0.642 1.00 31.31 C ATOM 691 NH1 ARG A 44 -14.601 -5.788 0.052 1.00 12.41 N ATOM 692 NH2 ARG A 44 -13.157 -5.809 -1.739 1.00 74.34 N ATOM 0 H ARG A 44 -9.798 -1.773 1.803 1.00 43.42 H new ATOM 0 HA ARG A 44 -10.577 0.433 0.228 1.00 4.51 H new ATOM 0 HB2 ARG A 44 -12.672 -0.838 -0.146 1.00 73.15 H new ATOM 0 HB3 ARG A 44 -11.271 -1.881 -0.291 1.00 73.15 H new ATOM 0 HG2 ARG A 44 -11.686 -2.883 1.883 1.00 53.43 H new ATOM 0 HG3 ARG A 44 -12.916 -1.695 2.265 1.00 53.43 H new ATOM 0 HD2 ARG A 44 -13.908 -3.881 1.663 1.00 31.13 H new ATOM 0 HD3 ARG A 44 -14.421 -2.612 0.568 1.00 31.13 H new ATOM 0 HE ARG A 44 -12.335 -3.641 -0.836 1.00 30.45 H new ATOM 0 HH11 ARG A 44 -14.984 -5.325 0.876 1.00 12.41 H new ATOM 0 HH12 ARG A 44 -14.972 -6.691 -0.244 1.00 12.41 H new ATOM 0 HH21 ARG A 44 -12.427 -5.366 -2.297 1.00 74.34 H new ATOM 0 HH22 ARG A 44 -13.539 -6.712 -2.022 1.00 74.34 H new ATOM 706 N GLU A 45 -11.697 0.494 3.297 1.00 73.31 N ATOM 707 CA GLU A 45 -12.387 1.309 4.325 1.00 32.51 C ATOM 708 C GLU A 45 -11.627 2.625 4.565 1.00 71.34 C ATOM 709 O GLU A 45 -12.229 3.708 4.557 1.00 53.43 O ATOM 710 CB GLU A 45 -12.519 0.504 5.637 1.00 15.05 C ATOM 711 CG GLU A 45 -13.288 -0.824 5.475 1.00 0.31 C ATOM 712 CD GLU A 45 -13.296 -1.682 6.751 1.00 64.02 C ATOM 713 OE1 GLU A 45 -14.380 -2.132 7.188 1.00 51.14 O ATOM 714 OE2 GLU A 45 -12.210 -1.909 7.323 1.00 35.31 O ATOM 0 H GLU A 45 -11.118 -0.249 3.688 1.00 73.31 H new ATOM 0 HA GLU A 45 -13.387 1.556 3.968 1.00 32.51 H new ATOM 0 HB2 GLU A 45 -11.523 0.292 6.024 1.00 15.05 H new ATOM 0 HB3 GLU A 45 -13.026 1.119 6.381 1.00 15.05 H new ATOM 0 HG2 GLU A 45 -14.316 -0.607 5.185 1.00 0.31 H new ATOM 0 HG3 GLU A 45 -12.842 -1.398 4.663 1.00 0.31 H new ATOM 721 N HIS A 46 -10.294 2.505 4.756 1.00 22.43 N ATOM 722 CA HIS A 46 -9.373 3.658 4.952 1.00 62.44 C ATOM 723 C HIS A 46 -9.339 4.577 3.721 1.00 23.01 C ATOM 724 O HIS A 46 -8.910 5.734 3.806 1.00 61.21 O ATOM 725 CB HIS A 46 -7.946 3.169 5.318 1.00 2.42 C ATOM 726 CG HIS A 46 -7.856 2.581 6.706 1.00 51.44 C ATOM 727 ND1 HIS A 46 -8.012 3.340 7.849 1.00 64.41 N ATOM 728 CD2 HIS A 46 -7.658 1.313 7.134 1.00 74.32 C ATOM 729 CE1 HIS A 46 -7.916 2.565 8.906 1.00 33.15 C ATOM 730 NE2 HIS A 46 -7.704 1.333 8.498 1.00 54.20 N ATOM 0 H HIS A 46 -9.820 1.602 4.779 1.00 22.43 H new ATOM 0 HA HIS A 46 -9.759 4.245 5.785 1.00 62.44 H new ATOM 0 HB2 HIS A 46 -7.628 2.421 4.592 1.00 2.42 H new ATOM 0 HB3 HIS A 46 -7.251 4.005 5.239 1.00 2.42 H new ATOM 0 HD2 HIS A 46 -7.494 0.446 6.512 1.00 74.32 H new ATOM 0 HE1 HIS A 46 -7.997 2.885 9.934 1.00 33.15 H new ATOM 0 HE2 HIS A 46 -7.592 0.521 9.105 1.00 54.20 H new ATOM 739 N ALA A 47 -9.766 4.017 2.583 1.00 21.43 N ATOM 740 CA ALA A 47 -9.955 4.735 1.328 1.00 40.33 C ATOM 741 C ALA A 47 -10.859 5.962 1.476 1.00 63.25 C ATOM 742 O ALA A 47 -10.433 7.080 1.189 1.00 2.34 O ATOM 743 CB ALA A 47 -10.534 3.779 0.291 1.00 24.00 C ATOM 0 H ALA A 47 -9.994 3.025 2.513 1.00 21.43 H new ATOM 0 HA ALA A 47 -8.981 5.104 1.007 1.00 40.33 H new ATOM 0 HB1 ALA A 47 -10.679 4.308 -0.651 1.00 24.00 H new ATOM 0 HB2 ALA A 47 -9.846 2.948 0.138 1.00 24.00 H new ATOM 0 HB3 ALA A 47 -11.492 3.397 0.643 1.00 24.00 H new ATOM 749 N ARG A 48 -12.095 5.737 1.977 1.00 15.02 N ATOM 750 CA ARG A 48 -13.131 6.786 2.050 1.00 45.42 C ATOM 751 C ARG A 48 -12.756 7.911 3.025 1.00 64.31 C ATOM 752 O ARG A 48 -13.341 8.978 2.952 1.00 63.55 O ATOM 753 CB ARG A 48 -14.534 6.216 2.415 1.00 63.31 C ATOM 754 CG ARG A 48 -15.171 5.301 1.336 1.00 31.53 C ATOM 755 CD ARG A 48 -14.754 3.827 1.453 1.00 34.21 C ATOM 756 NE ARG A 48 -15.278 3.220 2.693 1.00 32.35 N ATOM 757 CZ ARG A 48 -15.601 1.928 2.864 1.00 51.11 C ATOM 758 NH1 ARG A 48 -15.458 1.038 1.882 1.00 43.12 N ATOM 759 NH2 ARG A 48 -16.059 1.529 4.041 1.00 53.21 N ATOM 0 H ARG A 48 -12.398 4.832 2.338 1.00 15.02 H new ATOM 0 HA ARG A 48 -13.187 7.207 1.046 1.00 45.42 H new ATOM 0 HB2 ARG A 48 -14.450 5.652 3.344 1.00 63.31 H new ATOM 0 HB3 ARG A 48 -15.209 7.050 2.608 1.00 63.31 H new ATOM 0 HG2 ARG A 48 -16.256 5.369 1.409 1.00 31.53 H new ATOM 0 HG3 ARG A 48 -14.894 5.671 0.349 1.00 31.53 H new ATOM 0 HD2 ARG A 48 -15.122 3.273 0.590 1.00 34.21 H new ATOM 0 HD3 ARG A 48 -13.667 3.752 1.440 1.00 34.21 H new ATOM 0 HE ARG A 48 -15.406 3.839 3.493 1.00 32.35 H new ATOM 0 HH11 ARG A 48 -15.096 1.333 0.975 1.00 43.12 H new ATOM 0 HH12 ARG A 48 -15.711 0.062 2.037 1.00 43.12 H new ATOM 0 HH21 ARG A 48 -16.162 2.200 4.802 1.00 53.21 H new ATOM 0 HH22 ARG A 48 -16.309 0.551 4.186 1.00 53.21 H new ATOM 773 N GLU A 49 -11.799 7.658 3.936 1.00 22.35 N ATOM 774 CA GLU A 49 -11.331 8.679 4.897 1.00 33.02 C ATOM 775 C GLU A 49 -10.601 9.814 4.139 1.00 63.52 C ATOM 776 O GLU A 49 -10.939 10.994 4.282 1.00 11.25 O ATOM 777 CB GLU A 49 -10.395 8.055 5.978 1.00 33.42 C ATOM 778 CG GLU A 49 -10.900 6.728 6.594 1.00 34.11 C ATOM 779 CD GLU A 49 -12.358 6.755 7.102 1.00 14.14 C ATOM 780 OE1 GLU A 49 -12.677 7.565 7.996 1.00 12.15 O ATOM 781 OE2 GLU A 49 -13.181 5.928 6.634 1.00 21.44 O ATOM 0 H GLU A 49 -11.333 6.755 4.029 1.00 22.35 H new ATOM 0 HA GLU A 49 -12.200 9.090 5.411 1.00 33.02 H new ATOM 0 HB2 GLU A 49 -9.416 7.882 5.532 1.00 33.42 H new ATOM 0 HB3 GLU A 49 -10.257 8.781 6.780 1.00 33.42 H new ATOM 0 HG2 GLU A 49 -10.806 5.940 5.847 1.00 34.11 H new ATOM 0 HG3 GLU A 49 -10.247 6.459 7.424 1.00 34.11 H new ATOM 788 N LEU A 50 -9.620 9.420 3.297 1.00 22.21 N ATOM 789 CA LEU A 50 -8.781 10.358 2.519 1.00 21.11 C ATOM 790 C LEU A 50 -9.542 10.884 1.282 1.00 73.33 C ATOM 791 O LEU A 50 -9.374 12.038 0.880 1.00 50.24 O ATOM 792 CB LEU A 50 -7.456 9.659 2.094 1.00 31.25 C ATOM 793 CG LEU A 50 -6.616 9.021 3.251 1.00 51.43 C ATOM 794 CD1 LEU A 50 -5.292 8.429 2.721 1.00 23.35 C ATOM 795 CD2 LEU A 50 -6.365 10.029 4.395 1.00 14.53 C ATOM 0 H LEU A 50 -9.387 8.440 3.138 1.00 22.21 H new ATOM 0 HA LEU A 50 -8.540 11.213 3.150 1.00 21.11 H new ATOM 0 HB2 LEU A 50 -7.695 8.878 1.372 1.00 31.25 H new ATOM 0 HB3 LEU A 50 -6.832 10.389 1.579 1.00 31.25 H new ATOM 0 HG LEU A 50 -7.202 8.201 3.666 1.00 51.43 H new ATOM 0 HD11 LEU A 50 -4.731 7.994 3.548 1.00 23.35 H new ATOM 0 HD12 LEU A 50 -5.508 7.657 1.983 1.00 23.35 H new ATOM 0 HD13 LEU A 50 -4.700 9.218 2.257 1.00 23.35 H new ATOM 0 HD21 LEU A 50 -5.779 9.550 5.180 1.00 14.53 H new ATOM 0 HD22 LEU A 50 -5.819 10.890 4.008 1.00 14.53 H new ATOM 0 HD23 LEU A 50 -7.319 10.359 4.805 1.00 14.53 H new ATOM 807 N GLN A 51 -10.397 10.012 0.716 1.00 72.02 N ATOM 808 CA GLN A 51 -11.227 10.312 -0.471 1.00 5.32 C ATOM 809 C GLN A 51 -12.300 11.376 -0.145 1.00 71.55 C ATOM 810 O GLN A 51 -12.593 12.246 -0.972 1.00 32.23 O ATOM 811 CB GLN A 51 -11.893 9.005 -0.983 1.00 55.04 C ATOM 812 CG GLN A 51 -12.834 9.174 -2.184 1.00 43.30 C ATOM 813 CD GLN A 51 -13.460 7.858 -2.638 1.00 41.13 C ATOM 814 OE1 GLN A 51 -12.792 7.165 -3.536 1.00 24.33 O flip ATOM 815 NE2 GLN A 51 -14.524 7.459 -2.165 1.00 44.11 N flip ATOM 0 H GLN A 51 -10.534 9.066 1.073 1.00 72.02 H new ATOM 0 HA GLN A 51 -10.585 10.719 -1.253 1.00 5.32 H new ATOM 0 HB2 GLN A 51 -11.108 8.299 -1.254 1.00 55.04 H new ATOM 0 HB3 GLN A 51 -12.454 8.558 -0.163 1.00 55.04 H new ATOM 0 HG2 GLN A 51 -13.626 9.876 -1.923 1.00 43.30 H new ATOM 0 HG3 GLN A 51 -12.280 9.613 -3.014 1.00 43.30 H new ATOM 0 HE21 GLN A 51 -15.016 8.021 -1.471 1.00 44.11 H new ATOM 0 HE22 GLN A 51 -14.914 6.566 -2.467 1.00 44.11 H new ATOM 824 N LYS A 52 -12.871 11.285 1.077 1.00 64.13 N ATOM 825 CA LYS A 52 -13.878 12.249 1.581 1.00 0.23 C ATOM 826 C LYS A 52 -13.250 13.645 1.729 1.00 72.22 C ATOM 827 O LYS A 52 -13.851 14.656 1.347 1.00 24.12 O ATOM 828 CB LYS A 52 -14.445 11.768 2.940 1.00 42.42 C ATOM 829 CG LYS A 52 -15.482 12.707 3.582 1.00 35.43 C ATOM 830 CD LYS A 52 -16.099 12.123 4.869 1.00 73.41 C ATOM 831 CE LYS A 52 -17.191 13.022 5.459 1.00 2.21 C ATOM 832 NZ LYS A 52 -18.303 13.250 4.495 1.00 12.31 N ATOM 0 H LYS A 52 -12.648 10.544 1.741 1.00 64.13 H new ATOM 0 HA LYS A 52 -14.696 12.309 0.863 1.00 0.23 H new ATOM 0 HB2 LYS A 52 -14.902 10.788 2.800 1.00 42.42 H new ATOM 0 HB3 LYS A 52 -13.617 11.636 3.636 1.00 42.42 H new ATOM 0 HG2 LYS A 52 -15.008 13.661 3.812 1.00 35.43 H new ATOM 0 HG3 LYS A 52 -16.276 12.910 2.863 1.00 35.43 H new ATOM 0 HD2 LYS A 52 -16.519 11.141 4.653 1.00 73.41 H new ATOM 0 HD3 LYS A 52 -15.313 11.977 5.610 1.00 73.41 H new ATOM 0 HE2 LYS A 52 -17.585 12.566 6.367 1.00 2.21 H new ATOM 0 HE3 LYS A 52 -16.757 13.980 5.746 1.00 2.21 H new ATOM 0 HZ1 LYS A 52 -19.113 13.670 4.993 1.00 12.31 H new ATOM 0 HZ2 LYS A 52 -17.985 13.896 3.745 1.00 12.31 H new ATOM 0 HZ3 LYS A 52 -18.588 12.343 4.073 1.00 12.31 H new ATOM 846 N GLN A 53 -12.017 13.665 2.263 1.00 70.21 N ATOM 847 CA GLN A 53 -11.212 14.893 2.397 1.00 71.11 C ATOM 848 C GLN A 53 -10.832 15.451 1.008 1.00 70.22 C ATOM 849 O GLN A 53 -10.573 16.650 0.864 1.00 75.03 O ATOM 850 CB GLN A 53 -9.938 14.600 3.232 1.00 1.40 C ATOM 851 CG GLN A 53 -10.205 14.148 4.682 1.00 41.21 C ATOM 852 CD GLN A 53 -8.921 13.785 5.438 1.00 0.33 C ATOM 853 OE1 GLN A 53 -8.514 12.526 5.366 1.00 53.41 O flip ATOM 854 NE2 GLN A 53 -8.291 14.631 6.071 1.00 12.05 N flip ATOM 0 H GLN A 53 -11.549 12.830 2.615 1.00 70.21 H new ATOM 0 HA GLN A 53 -11.807 15.647 2.913 1.00 71.11 H new ATOM 0 HB2 GLN A 53 -9.359 13.827 2.726 1.00 1.40 H new ATOM 0 HB3 GLN A 53 -9.321 15.498 3.254 1.00 1.40 H new ATOM 0 HG2 GLN A 53 -10.723 14.945 5.216 1.00 41.21 H new ATOM 0 HG3 GLN A 53 -10.871 13.285 4.672 1.00 41.21 H new ATOM 0 HE21 GLN A 53 -8.627 15.593 6.110 1.00 12.05 H new ATOM 0 HE22 GLN A 53 -7.433 14.370 6.557 1.00 12.05 H new ATOM 863 N GLY A 54 -10.814 14.558 -0.002 1.00 65.22 N ATOM 864 CA GLY A 54 -10.471 14.923 -1.376 1.00 31.12 C ATOM 865 C GLY A 54 -8.979 15.104 -1.559 1.00 33.03 C ATOM 866 O GLY A 54 -8.537 15.956 -2.341 1.00 64.42 O ATOM 0 H GLY A 54 -11.037 13.570 0.119 1.00 65.22 H new ATOM 0 HA2 GLY A 54 -10.829 14.150 -2.056 1.00 31.12 H new ATOM 0 HA3 GLY A 54 -10.984 15.847 -1.645 1.00 31.12 H new ATOM 870 N ILE A 55 -8.209 14.295 -0.811 1.00 53.13 N ATOM 871 CA ILE A 55 -6.748 14.316 -0.836 1.00 60.14 C ATOM 872 C ILE A 55 -6.244 13.681 -2.141 1.00 1.02 C ATOM 873 O ILE A 55 -6.428 12.478 -2.361 1.00 55.42 O ATOM 874 CB ILE A 55 -6.130 13.575 0.420 1.00 14.43 C ATOM 875 CG1 ILE A 55 -6.563 14.290 1.739 1.00 51.32 C ATOM 876 CG2 ILE A 55 -4.589 13.482 0.318 1.00 41.43 C ATOM 877 CD1 ILE A 55 -6.035 13.667 3.024 1.00 72.02 C ATOM 0 H ILE A 55 -8.594 13.603 -0.168 1.00 53.13 H new ATOM 0 HA ILE A 55 -6.421 15.355 -0.790 1.00 60.14 H new ATOM 0 HB ILE A 55 -6.517 12.556 0.437 1.00 14.43 H new ATOM 0 HG12 ILE A 55 -6.231 15.327 1.695 1.00 51.32 H new ATOM 0 HG13 ILE A 55 -7.652 14.305 1.783 1.00 51.32 H new ATOM 0 HG21 ILE A 55 -4.197 12.968 1.196 1.00 41.43 H new ATOM 0 HG22 ILE A 55 -4.317 12.927 -0.580 1.00 41.43 H new ATOM 0 HG23 ILE A 55 -4.167 14.485 0.266 1.00 41.43 H new ATOM 0 HD11 ILE A 55 -6.394 14.239 3.880 1.00 72.02 H new ATOM 0 HD12 ILE A 55 -6.388 12.639 3.101 1.00 72.02 H new ATOM 0 HD13 ILE A 55 -4.945 13.677 3.012 1.00 72.02 H new ATOM 889 N HIS A 56 -5.667 14.510 -3.032 1.00 40.41 N ATOM 890 CA HIS A 56 -5.007 14.012 -4.247 1.00 72.12 C ATOM 891 C HIS A 56 -3.529 13.753 -3.899 1.00 3.21 C ATOM 892 O HIS A 56 -2.754 14.694 -3.719 1.00 14.43 O ATOM 893 CB HIS A 56 -5.137 15.042 -5.413 1.00 15.13 C ATOM 894 CG HIS A 56 -6.559 15.359 -5.841 1.00 3.42 C ATOM 895 ND1 HIS A 56 -6.862 16.293 -6.814 1.00 13.21 N ATOM 896 CD2 HIS A 56 -7.756 14.878 -5.417 1.00 44.25 C ATOM 897 CE1 HIS A 56 -8.167 16.370 -6.963 1.00 24.53 C ATOM 898 NE2 HIS A 56 -8.731 15.522 -6.130 1.00 71.53 N ATOM 0 H HIS A 56 -5.646 15.525 -2.931 1.00 40.41 H new ATOM 0 HA HIS A 56 -5.481 13.091 -4.586 1.00 72.12 H new ATOM 0 HB2 HIS A 56 -4.650 15.970 -5.113 1.00 15.13 H new ATOM 0 HB3 HIS A 56 -4.592 14.660 -6.276 1.00 15.13 H new ATOM 0 HD2 HIS A 56 -7.910 14.126 -4.657 1.00 44.25 H new ATOM 0 HE1 HIS A 56 -8.687 17.019 -7.652 1.00 24.53 H new ATOM 0 HE2 HIS A 56 -9.735 15.369 -6.031 1.00 71.53 H new ATOM 907 N PHE A 57 -3.155 12.472 -3.807 1.00 25.32 N ATOM 908 CA PHE A 57 -1.796 12.045 -3.440 1.00 51.11 C ATOM 909 C PHE A 57 -1.146 11.389 -4.658 1.00 23.40 C ATOM 910 O PHE A 57 -1.713 10.467 -5.260 1.00 13.44 O ATOM 911 CB PHE A 57 -1.820 11.105 -2.191 1.00 42.34 C ATOM 912 CG PHE A 57 -2.877 9.997 -2.236 1.00 41.52 C ATOM 913 CD1 PHE A 57 -2.615 8.782 -2.866 1.00 23.40 C ATOM 914 CD2 PHE A 57 -4.143 10.189 -1.675 1.00 73.11 C ATOM 915 CE1 PHE A 57 -3.578 7.801 -2.938 1.00 14.40 C ATOM 916 CE2 PHE A 57 -5.105 9.198 -1.744 1.00 71.54 C ATOM 917 CZ PHE A 57 -4.819 8.011 -2.381 1.00 51.42 C ATOM 0 H PHE A 57 -3.791 11.695 -3.986 1.00 25.32 H new ATOM 0 HA PHE A 57 -1.196 12.908 -3.151 1.00 51.11 H new ATOM 0 HB2 PHE A 57 -0.838 10.645 -2.082 1.00 42.34 H new ATOM 0 HB3 PHE A 57 -1.989 11.712 -1.301 1.00 42.34 H new ATOM 0 HD1 PHE A 57 -1.643 8.608 -3.304 1.00 23.40 H new ATOM 0 HD2 PHE A 57 -4.372 11.122 -1.182 1.00 73.11 H new ATOM 0 HE1 PHE A 57 -3.360 6.866 -3.432 1.00 14.40 H new ATOM 0 HE2 PHE A 57 -6.077 9.354 -1.300 1.00 71.54 H new ATOM 0 HZ PHE A 57 -5.573 7.240 -2.444 1.00 51.42 H new ATOM 927 N GLU A 58 0.016 11.911 -5.058 1.00 54.25 N ATOM 928 CA GLU A 58 0.740 11.446 -6.246 1.00 52.01 C ATOM 929 C GLU A 58 2.029 10.748 -5.813 1.00 33.21 C ATOM 930 O GLU A 58 2.787 11.296 -5.007 1.00 10.21 O ATOM 931 CB GLU A 58 1.048 12.644 -7.185 1.00 71.42 C ATOM 932 CG GLU A 58 1.663 12.260 -8.549 1.00 42.44 C ATOM 933 CD GLU A 58 0.752 11.320 -9.366 1.00 71.11 C ATOM 934 OE1 GLU A 58 1.016 10.093 -9.402 1.00 1.31 O ATOM 935 OE2 GLU A 58 -0.252 11.799 -9.949 1.00 14.21 O ATOM 0 H GLU A 58 0.484 12.672 -4.565 1.00 54.25 H new ATOM 0 HA GLU A 58 0.123 10.735 -6.796 1.00 52.01 H new ATOM 0 HB2 GLU A 58 0.124 13.195 -7.362 1.00 71.42 H new ATOM 0 HB3 GLU A 58 1.731 13.322 -6.673 1.00 71.42 H new ATOM 0 HG2 GLU A 58 1.855 13.165 -9.125 1.00 42.44 H new ATOM 0 HG3 GLU A 58 2.626 11.776 -8.386 1.00 42.44 H new ATOM 942 N VAL A 59 2.262 9.535 -6.353 1.00 4.00 N ATOM 943 CA VAL A 59 3.470 8.749 -6.064 1.00 23.24 C ATOM 944 C VAL A 59 4.693 9.470 -6.660 1.00 63.25 C ATOM 945 O VAL A 59 4.842 9.558 -7.885 1.00 51.23 O ATOM 946 CB VAL A 59 3.367 7.276 -6.628 1.00 30.12 C ATOM 947 CG1 VAL A 59 4.642 6.446 -6.314 1.00 43.14 C ATOM 948 CG2 VAL A 59 2.089 6.570 -6.102 1.00 41.30 C ATOM 0 H VAL A 59 1.619 9.077 -6.999 1.00 4.00 H new ATOM 0 HA VAL A 59 3.577 8.667 -4.982 1.00 23.24 H new ATOM 0 HB VAL A 59 3.292 7.345 -7.713 1.00 30.12 H new ATOM 0 HG11 VAL A 59 4.530 5.440 -6.719 1.00 43.14 H new ATOM 0 HG12 VAL A 59 5.509 6.926 -6.768 1.00 43.14 H new ATOM 0 HG13 VAL A 59 4.782 6.389 -5.235 1.00 43.14 H new ATOM 0 HG21 VAL A 59 2.041 5.558 -6.504 1.00 41.30 H new ATOM 0 HG22 VAL A 59 2.119 6.527 -5.013 1.00 41.30 H new ATOM 0 HG23 VAL A 59 1.208 7.129 -6.419 1.00 41.30 H new ATOM 958 N LYS A 60 5.516 10.034 -5.769 1.00 31.01 N ATOM 959 CA LYS A 60 6.746 10.751 -6.130 1.00 43.22 C ATOM 960 C LYS A 60 7.858 9.743 -6.458 1.00 62.34 C ATOM 961 O LYS A 60 8.546 9.873 -7.475 1.00 53.15 O ATOM 962 CB LYS A 60 7.171 11.669 -4.952 1.00 5.05 C ATOM 963 CG LYS A 60 6.125 12.730 -4.556 1.00 64.12 C ATOM 964 CD LYS A 60 5.905 13.816 -5.634 1.00 65.32 C ATOM 965 CE LYS A 60 7.161 14.673 -5.887 1.00 33.41 C ATOM 966 NZ LYS A 60 6.877 15.831 -6.783 1.00 41.32 N ATOM 0 H LYS A 60 5.345 10.005 -4.764 1.00 31.01 H new ATOM 0 HA LYS A 60 6.568 11.367 -7.011 1.00 43.22 H new ATOM 0 HB2 LYS A 60 7.385 11.047 -4.083 1.00 5.05 H new ATOM 0 HB3 LYS A 60 8.099 12.175 -5.219 1.00 5.05 H new ATOM 0 HG2 LYS A 60 5.176 12.234 -4.353 1.00 64.12 H new ATOM 0 HG3 LYS A 60 6.439 13.209 -3.629 1.00 64.12 H new ATOM 0 HD2 LYS A 60 5.603 13.339 -6.566 1.00 65.32 H new ATOM 0 HD3 LYS A 60 5.085 14.465 -5.327 1.00 65.32 H new ATOM 0 HE2 LYS A 60 7.549 15.037 -4.936 1.00 33.41 H new ATOM 0 HE3 LYS A 60 7.939 14.053 -6.332 1.00 33.41 H new ATOM 0 HZ1 LYS A 60 7.768 16.311 -7.023 1.00 41.32 H new ATOM 0 HZ2 LYS A 60 6.421 15.492 -7.654 1.00 41.32 H new ATOM 0 HZ3 LYS A 60 6.244 16.498 -6.298 1.00 41.32 H new ATOM 980 N ARG A 61 7.991 8.718 -5.589 1.00 42.43 N ATOM 981 CA ARG A 61 9.041 7.682 -5.693 1.00 22.12 C ATOM 982 C ARG A 61 8.715 6.513 -4.745 1.00 20.30 C ATOM 983 O ARG A 61 8.522 6.726 -3.552 1.00 62.54 O ATOM 984 CB ARG A 61 10.447 8.301 -5.374 1.00 70.01 C ATOM 985 CG ARG A 61 11.612 7.307 -5.109 1.00 71.02 C ATOM 986 CD ARG A 61 11.864 6.307 -6.254 1.00 72.51 C ATOM 987 NE ARG A 61 12.213 6.953 -7.530 1.00 31.52 N ATOM 988 CZ ARG A 61 12.585 6.295 -8.648 1.00 71.43 C ATOM 989 NH1 ARG A 61 12.664 4.961 -8.671 1.00 55.41 N ATOM 990 NH2 ARG A 61 12.874 6.983 -9.748 1.00 1.04 N ATOM 0 H ARG A 61 7.369 8.585 -4.791 1.00 42.43 H new ATOM 0 HA ARG A 61 9.070 7.297 -6.712 1.00 22.12 H new ATOM 0 HB2 ARG A 61 10.732 8.942 -6.208 1.00 70.01 H new ATOM 0 HB3 ARG A 61 10.344 8.943 -4.499 1.00 70.01 H new ATOM 0 HG2 ARG A 61 12.525 7.875 -4.930 1.00 71.02 H new ATOM 0 HG3 ARG A 61 11.399 6.750 -4.196 1.00 71.02 H new ATOM 0 HD2 ARG A 61 12.669 5.631 -5.965 1.00 72.51 H new ATOM 0 HD3 ARG A 61 10.972 5.697 -6.396 1.00 72.51 H new ATOM 0 HE ARG A 61 12.171 7.971 -7.572 1.00 31.52 H new ATOM 0 HH11 ARG A 61 12.441 4.422 -7.834 1.00 55.41 H new ATOM 0 HH12 ARG A 61 12.947 4.482 -9.526 1.00 55.41 H new ATOM 0 HH21 ARG A 61 12.814 8.001 -9.743 1.00 1.04 H new ATOM 0 HH22 ARG A 61 13.156 6.493 -10.597 1.00 1.04 H new ATOM 1004 N VAL A 62 8.660 5.285 -5.298 1.00 41.20 N ATOM 1005 CA VAL A 62 8.453 4.045 -4.523 1.00 32.15 C ATOM 1006 C VAL A 62 9.764 3.225 -4.468 1.00 54.34 C ATOM 1007 O VAL A 62 10.235 2.694 -5.478 1.00 33.13 O ATOM 1008 CB VAL A 62 7.241 3.191 -5.098 1.00 41.44 C ATOM 1009 CG1 VAL A 62 7.358 2.928 -6.618 1.00 32.23 C ATOM 1010 CG2 VAL A 62 7.045 1.870 -4.306 1.00 11.34 C ATOM 0 H VAL A 62 8.758 5.125 -6.300 1.00 41.20 H new ATOM 0 HA VAL A 62 8.183 4.318 -3.503 1.00 32.15 H new ATOM 0 HB VAL A 62 6.347 3.799 -4.959 1.00 41.44 H new ATOM 0 HG11 VAL A 62 6.503 2.341 -6.953 1.00 32.23 H new ATOM 0 HG12 VAL A 62 7.377 3.878 -7.151 1.00 32.23 H new ATOM 0 HG13 VAL A 62 8.277 2.379 -6.823 1.00 32.23 H new ATOM 0 HG21 VAL A 62 6.208 1.314 -4.728 1.00 11.34 H new ATOM 0 HG22 VAL A 62 7.951 1.268 -4.372 1.00 11.34 H new ATOM 0 HG23 VAL A 62 6.838 2.100 -3.261 1.00 11.34 H new ATOM 1020 N GLU A 63 10.366 3.176 -3.273 1.00 31.11 N ATOM 1021 CA GLU A 63 11.566 2.371 -2.984 1.00 35.32 C ATOM 1022 C GLU A 63 11.155 1.148 -2.175 1.00 11.41 C ATOM 1023 O GLU A 63 10.266 1.235 -1.337 1.00 21.11 O ATOM 1024 CB GLU A 63 12.613 3.215 -2.202 1.00 31.51 C ATOM 1025 CG GLU A 63 13.317 4.299 -3.042 1.00 15.01 C ATOM 1026 CD GLU A 63 14.139 3.719 -4.216 1.00 63.22 C ATOM 1027 OE1 GLU A 63 13.603 3.605 -5.338 1.00 72.01 O ATOM 1028 OE2 GLU A 63 15.315 3.345 -4.015 1.00 21.24 O ATOM 0 H GLU A 63 10.030 3.701 -2.466 1.00 31.11 H new ATOM 0 HA GLU A 63 12.025 2.052 -3.920 1.00 35.32 H new ATOM 0 HB2 GLU A 63 12.117 3.693 -1.357 1.00 31.51 H new ATOM 0 HB3 GLU A 63 13.368 2.544 -1.791 1.00 31.51 H new ATOM 0 HG2 GLU A 63 12.569 4.988 -3.435 1.00 15.01 H new ATOM 0 HG3 GLU A 63 13.976 4.879 -2.396 1.00 15.01 H new ATOM 1035 N VAL A 64 11.806 0.014 -2.447 1.00 64.34 N ATOM 1036 CA VAL A 64 11.518 -1.279 -1.798 1.00 31.30 C ATOM 1037 C VAL A 64 12.840 -2.036 -1.523 1.00 24.21 C ATOM 1038 O VAL A 64 13.656 -2.229 -2.431 1.00 13.32 O ATOM 1039 CB VAL A 64 10.508 -2.140 -2.663 1.00 72.45 C ATOM 1040 CG1 VAL A 64 10.951 -2.264 -4.141 1.00 12.14 C ATOM 1041 CG2 VAL A 64 10.247 -3.527 -2.027 1.00 21.32 C ATOM 0 H VAL A 64 12.559 -0.038 -3.133 1.00 64.34 H new ATOM 0 HA VAL A 64 11.030 -1.094 -0.841 1.00 31.30 H new ATOM 0 HB VAL A 64 9.562 -1.598 -2.666 1.00 72.45 H new ATOM 0 HG11 VAL A 64 10.224 -2.863 -4.690 1.00 12.14 H new ATOM 0 HG12 VAL A 64 11.013 -1.271 -4.587 1.00 12.14 H new ATOM 0 HG13 VAL A 64 11.928 -2.745 -4.189 1.00 12.14 H new ATOM 0 HG21 VAL A 64 9.550 -4.087 -2.650 1.00 21.32 H new ATOM 0 HG22 VAL A 64 11.186 -4.075 -1.951 1.00 21.32 H new ATOM 0 HG23 VAL A 64 9.821 -3.397 -1.032 1.00 21.32 H new ATOM 1051 N THR A 65 13.046 -2.432 -0.253 1.00 63.21 N ATOM 1052 CA THR A 65 14.268 -3.123 0.211 1.00 0.44 C ATOM 1053 C THR A 65 13.883 -4.229 1.216 1.00 23.34 C ATOM 1054 O THR A 65 13.000 -4.029 2.053 1.00 53.03 O ATOM 1055 CB THR A 65 15.287 -2.106 0.857 1.00 24.33 C ATOM 1056 OG1 THR A 65 16.427 -2.806 1.388 1.00 71.35 O ATOM 1057 CG2 THR A 65 14.649 -1.237 1.967 1.00 25.12 C ATOM 0 H THR A 65 12.363 -2.281 0.489 1.00 63.21 H new ATOM 0 HA THR A 65 14.763 -3.577 -0.648 1.00 0.44 H new ATOM 0 HB THR A 65 15.601 -1.434 0.058 1.00 24.33 H new ATOM 0 HG1 THR A 65 17.051 -2.162 1.784 1.00 71.35 H new ATOM 0 HG21 THR A 65 15.398 -0.558 2.373 1.00 25.12 H new ATOM 0 HG22 THR A 65 13.825 -0.660 1.548 1.00 25.12 H new ATOM 0 HG23 THR A 65 14.274 -1.881 2.763 1.00 25.12 H new ATOM 1065 N THR A 66 14.540 -5.399 1.118 1.00 41.11 N ATOM 1066 CA THR A 66 14.242 -6.576 1.971 1.00 32.41 C ATOM 1067 C THR A 66 15.077 -6.562 3.267 1.00 41.23 C ATOM 1068 O THR A 66 16.137 -5.922 3.324 1.00 60.34 O ATOM 1069 CB THR A 66 14.504 -7.903 1.180 1.00 13.10 C ATOM 1070 OG1 THR A 66 15.828 -7.894 0.610 1.00 15.34 O ATOM 1071 CG2 THR A 66 13.468 -8.097 0.060 1.00 2.34 C ATOM 0 H THR A 66 15.292 -5.560 0.448 1.00 41.11 H new ATOM 0 HA THR A 66 13.189 -6.524 2.248 1.00 32.41 H new ATOM 0 HB THR A 66 14.416 -8.730 1.884 1.00 13.10 H new ATOM 0 HG1 THR A 66 15.979 -8.729 0.120 1.00 15.34 H new ATOM 0 HG21 THR A 66 13.676 -9.026 -0.471 1.00 2.34 H new ATOM 0 HG22 THR A 66 12.469 -8.142 0.493 1.00 2.34 H new ATOM 0 HG23 THR A 66 13.524 -7.261 -0.637 1.00 2.34 H new ATOM 1079 N ASP A 67 14.575 -7.284 4.292 1.00 44.10 N ATOM 1080 CA ASP A 67 15.207 -7.395 5.624 1.00 33.05 C ATOM 1081 C ASP A 67 14.647 -8.639 6.353 1.00 74.30 C ATOM 1082 O ASP A 67 13.660 -8.548 7.097 1.00 63.51 O ATOM 1083 CB ASP A 67 14.969 -6.089 6.451 1.00 63.33 C ATOM 1084 CG ASP A 67 15.639 -6.097 7.842 1.00 23.21 C ATOM 1085 OD1 ASP A 67 14.936 -6.262 8.864 1.00 60.42 O ATOM 1086 OD2 ASP A 67 16.877 -5.921 7.920 1.00 3.13 O ATOM 0 H ASP A 67 13.707 -7.814 4.216 1.00 44.10 H new ATOM 0 HA ASP A 67 16.284 -7.516 5.511 1.00 33.05 H new ATOM 0 HB2 ASP A 67 15.344 -5.238 5.883 1.00 63.33 H new ATOM 0 HB3 ASP A 67 13.896 -5.941 6.576 1.00 63.33 H new ATOM 1091 N GLY A 68 15.252 -9.808 6.068 1.00 53.41 N ATOM 1092 CA GLY A 68 14.870 -11.085 6.688 1.00 70.21 C ATOM 1093 C GLY A 68 13.458 -11.545 6.315 1.00 24.15 C ATOM 1094 O GLY A 68 13.176 -11.790 5.136 1.00 65.03 O ATOM 0 H GLY A 68 16.019 -9.890 5.401 1.00 53.41 H new ATOM 0 HA2 GLY A 68 15.584 -11.853 6.391 1.00 70.21 H new ATOM 0 HA3 GLY A 68 14.938 -10.989 7.772 1.00 70.21 H new ATOM 1098 N ASN A 69 12.562 -11.635 7.321 1.00 0.21 N ATOM 1099 CA ASN A 69 11.145 -12.048 7.119 1.00 54.11 C ATOM 1100 C ASN A 69 10.235 -10.827 6.891 1.00 33.01 C ATOM 1101 O ASN A 69 9.013 -10.948 6.950 1.00 4.53 O ATOM 1102 CB ASN A 69 10.620 -12.870 8.332 1.00 52.14 C ATOM 1103 CG ASN A 69 10.514 -12.061 9.636 1.00 52.12 C ATOM 1104 OD1 ASN A 69 9.475 -11.472 9.948 1.00 24.11 O ATOM 1105 ND2 ASN A 69 11.590 -12.014 10.397 1.00 2.14 N ATOM 0 H ASN A 69 12.792 -11.426 8.292 1.00 0.21 H new ATOM 0 HA ASN A 69 11.118 -12.677 6.229 1.00 54.11 H new ATOM 0 HB2 ASN A 69 9.638 -13.274 8.086 1.00 52.14 H new ATOM 0 HB3 ASN A 69 11.283 -13.720 8.496 1.00 52.14 H new ATOM 0 HD21 ASN A 69 11.577 -11.482 11.267 1.00 2.14 H new ATOM 0 HD22 ASN A 69 12.436 -12.510 10.116 1.00 2.14 H new ATOM 1112 N THR A 70 10.835 -9.655 6.662 1.00 44.10 N ATOM 1113 CA THR A 70 10.104 -8.399 6.452 1.00 64.00 C ATOM 1114 C THR A 70 10.708 -7.637 5.250 1.00 65.23 C ATOM 1115 O THR A 70 11.862 -7.866 4.883 1.00 22.12 O ATOM 1116 CB THR A 70 10.129 -7.549 7.766 1.00 74.25 C ATOM 1117 OG1 THR A 70 9.694 -8.374 8.865 1.00 52.51 O ATOM 1118 CG2 THR A 70 9.221 -6.319 7.690 1.00 4.12 C ATOM 0 H THR A 70 11.848 -9.549 6.617 1.00 44.10 H new ATOM 0 HA THR A 70 9.061 -8.607 6.215 1.00 64.00 H new ATOM 0 HB THR A 70 11.151 -7.199 7.908 1.00 74.25 H new ATOM 0 HG1 THR A 70 9.708 -7.850 9.693 1.00 52.51 H new ATOM 0 HG21 THR A 70 9.277 -5.767 8.628 1.00 4.12 H new ATOM 0 HG22 THR A 70 9.546 -5.677 6.871 1.00 4.12 H new ATOM 0 HG23 THR A 70 8.193 -6.636 7.517 1.00 4.12 H new ATOM 1126 N VAL A 71 9.903 -6.778 4.608 1.00 61.45 N ATOM 1127 CA VAL A 71 10.333 -5.952 3.470 1.00 64.32 C ATOM 1128 C VAL A 71 9.769 -4.522 3.634 1.00 14.32 C ATOM 1129 O VAL A 71 8.553 -4.321 3.741 1.00 23.15 O ATOM 1130 CB VAL A 71 9.911 -6.611 2.100 1.00 23.00 C ATOM 1131 CG1 VAL A 71 8.419 -6.960 2.059 1.00 70.43 C ATOM 1132 CG2 VAL A 71 10.339 -5.751 0.887 1.00 34.13 C ATOM 0 H VAL A 71 8.927 -6.636 4.866 1.00 61.45 H new ATOM 0 HA VAL A 71 11.421 -5.888 3.456 1.00 64.32 H new ATOM 0 HB VAL A 71 10.454 -7.554 2.027 1.00 23.00 H new ATOM 0 HG11 VAL A 71 8.177 -7.411 1.097 1.00 70.43 H new ATOM 0 HG12 VAL A 71 8.188 -7.665 2.858 1.00 70.43 H new ATOM 0 HG13 VAL A 71 7.829 -6.053 2.193 1.00 70.43 H new ATOM 0 HG21 VAL A 71 10.028 -6.242 -0.035 1.00 34.13 H new ATOM 0 HG22 VAL A 71 9.868 -4.770 0.952 1.00 34.13 H new ATOM 0 HG23 VAL A 71 11.423 -5.634 0.888 1.00 34.13 H new ATOM 1142 N ASN A 72 10.679 -3.550 3.699 1.00 23.03 N ATOM 1143 CA ASN A 72 10.364 -2.136 3.954 1.00 41.10 C ATOM 1144 C ASN A 72 10.189 -1.397 2.619 1.00 45.30 C ATOM 1145 O ASN A 72 11.159 -1.219 1.872 1.00 75.32 O ATOM 1146 CB ASN A 72 11.508 -1.475 4.783 1.00 12.45 C ATOM 1147 CG ASN A 72 11.879 -2.254 6.055 1.00 52.32 C ATOM 1148 OD1 ASN A 72 11.045 -2.924 6.662 1.00 15.23 O ATOM 1149 ND2 ASN A 72 13.134 -2.178 6.469 1.00 45.12 N ATOM 0 H ASN A 72 11.677 -3.722 3.574 1.00 23.03 H new ATOM 0 HA ASN A 72 9.436 -2.073 4.523 1.00 41.10 H new ATOM 0 HB2 ASN A 72 12.393 -1.381 4.154 1.00 12.45 H new ATOM 0 HB3 ASN A 72 11.206 -0.465 5.061 1.00 12.45 H new ATOM 0 HD21 ASN A 72 13.426 -2.681 7.307 1.00 45.12 H new ATOM 0 HD22 ASN A 72 13.809 -1.616 5.950 1.00 45.12 H new ATOM 1156 N VAL A 73 8.941 -1.012 2.300 1.00 51.12 N ATOM 1157 CA VAL A 73 8.644 -0.170 1.130 1.00 60.32 C ATOM 1158 C VAL A 73 8.498 1.289 1.588 1.00 62.12 C ATOM 1159 O VAL A 73 7.504 1.649 2.225 1.00 14.42 O ATOM 1160 CB VAL A 73 7.346 -0.637 0.362 1.00 13.41 C ATOM 1161 CG1 VAL A 73 7.100 0.225 -0.903 1.00 53.24 C ATOM 1162 CG2 VAL A 73 7.439 -2.134 0.001 1.00 43.14 C ATOM 0 H VAL A 73 8.117 -1.273 2.841 1.00 51.12 H new ATOM 0 HA VAL A 73 9.472 -0.265 0.428 1.00 60.32 H new ATOM 0 HB VAL A 73 6.493 -0.497 1.026 1.00 13.41 H new ATOM 0 HG11 VAL A 73 6.199 -0.121 -1.410 1.00 53.24 H new ATOM 0 HG12 VAL A 73 6.975 1.268 -0.614 1.00 53.24 H new ATOM 0 HG13 VAL A 73 7.952 0.135 -1.576 1.00 53.24 H new ATOM 0 HG21 VAL A 73 6.535 -2.438 -0.528 1.00 43.14 H new ATOM 0 HG22 VAL A 73 8.307 -2.301 -0.637 1.00 43.14 H new ATOM 0 HG23 VAL A 73 7.541 -2.723 0.913 1.00 43.14 H new ATOM 1172 N THR A 74 9.514 2.109 1.290 1.00 53.14 N ATOM 1173 CA THR A 74 9.491 3.545 1.566 1.00 34.43 C ATOM 1174 C THR A 74 9.050 4.265 0.282 1.00 64.42 C ATOM 1175 O THR A 74 9.829 4.416 -0.662 1.00 13.44 O ATOM 1176 CB THR A 74 10.901 4.043 2.034 1.00 63.52 C ATOM 1177 OG1 THR A 74 11.308 3.310 3.206 1.00 1.32 O ATOM 1178 CG2 THR A 74 10.922 5.557 2.342 1.00 64.22 C ATOM 0 H THR A 74 10.377 1.791 0.849 1.00 53.14 H new ATOM 0 HA THR A 74 8.792 3.763 2.373 1.00 34.43 H new ATOM 0 HB THR A 74 11.596 3.867 1.213 1.00 63.52 H new ATOM 0 HG1 THR A 74 12.191 3.621 3.496 1.00 1.32 H new ATOM 0 HG21 THR A 74 11.922 5.849 2.662 1.00 64.22 H new ATOM 0 HG22 THR A 74 10.650 6.114 1.446 1.00 64.22 H new ATOM 0 HG23 THR A 74 10.208 5.777 3.136 1.00 64.22 H new ATOM 1186 N VAL A 75 7.786 4.680 0.252 1.00 42.40 N ATOM 1187 CA VAL A 75 7.172 5.350 -0.896 1.00 15.52 C ATOM 1188 C VAL A 75 6.764 6.772 -0.490 1.00 4.00 C ATOM 1189 O VAL A 75 5.934 6.968 0.393 1.00 71.34 O ATOM 1190 CB VAL A 75 5.951 4.518 -1.467 1.00 63.45 C ATOM 1191 CG1 VAL A 75 5.000 4.035 -0.353 1.00 33.52 C ATOM 1192 CG2 VAL A 75 5.194 5.291 -2.580 1.00 34.43 C ATOM 0 H VAL A 75 7.147 4.559 1.038 1.00 42.40 H new ATOM 0 HA VAL A 75 7.899 5.416 -1.706 1.00 15.52 H new ATOM 0 HB VAL A 75 6.371 3.624 -1.928 1.00 63.45 H new ATOM 0 HG11 VAL A 75 4.179 3.470 -0.795 1.00 33.52 H new ATOM 0 HG12 VAL A 75 5.547 3.398 0.341 1.00 33.52 H new ATOM 0 HG13 VAL A 75 4.600 4.896 0.183 1.00 33.52 H new ATOM 0 HG21 VAL A 75 4.364 4.685 -2.944 1.00 34.43 H new ATOM 0 HG22 VAL A 75 4.809 6.227 -2.176 1.00 34.43 H new ATOM 0 HG23 VAL A 75 5.876 5.504 -3.403 1.00 34.43 H new ATOM 1202 N GLU A 76 7.426 7.755 -1.095 1.00 24.13 N ATOM 1203 CA GLU A 76 7.105 9.168 -0.938 1.00 43.03 C ATOM 1204 C GLU A 76 5.898 9.506 -1.825 1.00 24.14 C ATOM 1205 O GLU A 76 5.892 9.187 -3.019 1.00 73.31 O ATOM 1206 CB GLU A 76 8.326 10.029 -1.340 1.00 11.32 C ATOM 1207 CG GLU A 76 8.149 11.541 -1.095 1.00 31.52 C ATOM 1208 CD GLU A 76 9.346 12.376 -1.579 1.00 22.12 C ATOM 1209 OE1 GLU A 76 9.237 13.061 -2.625 1.00 72.32 O ATOM 1210 OE2 GLU A 76 10.414 12.334 -0.927 1.00 3.41 O ATOM 0 H GLU A 76 8.215 7.587 -1.719 1.00 24.13 H new ATOM 0 HA GLU A 76 6.859 9.380 0.102 1.00 43.03 H new ATOM 0 HB2 GLU A 76 9.198 9.683 -0.784 1.00 11.32 H new ATOM 0 HB3 GLU A 76 8.537 9.867 -2.397 1.00 11.32 H new ATOM 0 HG2 GLU A 76 7.247 11.882 -1.603 1.00 31.52 H new ATOM 0 HG3 GLU A 76 8.000 11.715 -0.029 1.00 31.52 H new ATOM 1217 N LEU A 77 4.864 10.090 -1.217 1.00 52.21 N ATOM 1218 CA LEU A 77 3.701 10.643 -1.927 1.00 11.12 C ATOM 1219 C LEU A 77 3.644 12.151 -1.679 1.00 43.52 C ATOM 1220 O LEU A 77 4.327 12.670 -0.794 1.00 24.35 O ATOM 1221 CB LEU A 77 2.359 9.970 -1.503 1.00 30.22 C ATOM 1222 CG LEU A 77 2.230 8.428 -1.788 1.00 53.21 C ATOM 1223 CD1 LEU A 77 2.937 7.579 -0.720 1.00 51.33 C ATOM 1224 CD2 LEU A 77 0.756 8.012 -1.938 1.00 52.44 C ATOM 0 H LEU A 77 4.807 10.195 -0.204 1.00 52.21 H new ATOM 0 HA LEU A 77 3.825 10.436 -2.990 1.00 11.12 H new ATOM 0 HB2 LEU A 77 2.217 10.133 -0.435 1.00 30.22 H new ATOM 0 HB3 LEU A 77 1.544 10.482 -2.014 1.00 30.22 H new ATOM 0 HG LEU A 77 2.735 8.237 -2.735 1.00 53.21 H new ATOM 0 HD11 LEU A 77 2.820 6.522 -0.960 1.00 51.33 H new ATOM 0 HD12 LEU A 77 3.997 7.831 -0.698 1.00 51.33 H new ATOM 0 HD13 LEU A 77 2.496 7.781 0.256 1.00 51.33 H new ATOM 0 HD21 LEU A 77 0.698 6.941 -2.134 1.00 52.44 H new ATOM 0 HD22 LEU A 77 0.218 8.242 -1.019 1.00 52.44 H new ATOM 0 HD23 LEU A 77 0.307 8.558 -2.768 1.00 52.44 H new ATOM 1236 N GLU A 78 2.878 12.854 -2.507 1.00 41.13 N ATOM 1237 CA GLU A 78 2.604 14.280 -2.324 1.00 62.21 C ATOM 1238 C GLU A 78 1.084 14.455 -2.237 1.00 54.43 C ATOM 1239 O GLU A 78 0.385 14.416 -3.256 1.00 74.10 O ATOM 1240 CB GLU A 78 3.205 15.084 -3.501 1.00 3.32 C ATOM 1241 CG GLU A 78 3.249 16.606 -3.308 1.00 73.31 C ATOM 1242 CD GLU A 78 3.855 17.323 -4.522 1.00 14.42 C ATOM 1243 OE1 GLU A 78 5.062 17.154 -4.769 1.00 10.03 O ATOM 1244 OE2 GLU A 78 3.137 18.030 -5.251 1.00 22.34 O ATOM 0 H GLU A 78 2.427 12.451 -3.328 1.00 41.13 H new ATOM 0 HA GLU A 78 3.063 14.655 -1.409 1.00 62.21 H new ATOM 0 HB2 GLU A 78 4.220 14.729 -3.680 1.00 3.32 H new ATOM 0 HB3 GLU A 78 2.628 14.866 -4.399 1.00 3.32 H new ATOM 0 HG2 GLU A 78 2.240 16.979 -3.134 1.00 73.31 H new ATOM 0 HG3 GLU A 78 3.834 16.842 -2.419 1.00 73.31 H new ATOM 1251 N GLU A 79 0.589 14.622 -1.002 1.00 11.35 N ATOM 1252 CA GLU A 79 -0.842 14.727 -0.692 1.00 24.54 C ATOM 1253 C GLU A 79 -1.306 16.181 -0.827 1.00 72.02 C ATOM 1254 O GLU A 79 -0.584 17.097 -0.445 1.00 52.11 O ATOM 1255 CB GLU A 79 -1.111 14.205 0.747 1.00 10.22 C ATOM 1256 CG GLU A 79 -0.698 12.734 0.988 1.00 33.43 C ATOM 1257 CD GLU A 79 -1.304 12.155 2.276 1.00 15.04 C ATOM 1258 OE1 GLU A 79 -2.376 11.507 2.205 1.00 14.33 O ATOM 1259 OE2 GLU A 79 -0.725 12.354 3.365 1.00 73.42 O ATOM 0 H GLU A 79 1.184 14.689 -0.176 1.00 11.35 H new ATOM 0 HA GLU A 79 -1.404 14.116 -1.398 1.00 24.54 H new ATOM 0 HB2 GLU A 79 -0.577 14.839 1.455 1.00 10.22 H new ATOM 0 HB3 GLU A 79 -2.174 14.310 0.964 1.00 10.22 H new ATOM 0 HG2 GLU A 79 -1.012 12.128 0.138 1.00 33.43 H new ATOM 0 HG3 GLU A 79 0.389 12.669 1.041 1.00 33.43 H new ATOM 1266 N THR A 80 -2.509 16.388 -1.385 1.00 0.34 N ATOM 1267 CA THR A 80 -3.095 17.725 -1.548 1.00 61.51 C ATOM 1268 C THR A 80 -4.416 17.777 -0.770 1.00 3.11 C ATOM 1269 O THR A 80 -5.425 17.219 -1.206 1.00 22.32 O ATOM 1270 CB THR A 80 -3.318 18.050 -3.060 1.00 73.22 C ATOM 1271 OG1 THR A 80 -2.127 17.724 -3.801 1.00 54.10 O ATOM 1272 CG2 THR A 80 -3.661 19.533 -3.293 1.00 73.12 C ATOM 0 H THR A 80 -3.101 15.634 -1.735 1.00 0.34 H new ATOM 0 HA THR A 80 -2.413 18.478 -1.154 1.00 61.51 H new ATOM 0 HB THR A 80 -4.163 17.452 -3.401 1.00 73.22 H new ATOM 0 HG1 THR A 80 -2.066 16.752 -3.910 1.00 54.10 H new ATOM 0 HG21 THR A 80 -3.807 19.710 -4.359 1.00 73.12 H new ATOM 0 HG22 THR A 80 -4.575 19.784 -2.755 1.00 73.12 H new ATOM 0 HG23 THR A 80 -2.844 20.157 -2.930 1.00 73.12 H new ATOM 1280 N THR A 81 -4.377 18.421 0.401 1.00 32.43 N ATOM 1281 CA THR A 81 -5.499 18.468 1.352 1.00 53.13 C ATOM 1282 C THR A 81 -5.965 19.932 1.553 1.00 15.12 C ATOM 1283 O THR A 81 -5.173 20.806 1.950 1.00 62.13 O ATOM 1284 CB THR A 81 -5.095 17.785 2.713 1.00 23.41 C ATOM 1285 OG1 THR A 81 -6.157 17.885 3.675 1.00 23.45 O ATOM 1286 CG2 THR A 81 -3.791 18.351 3.317 1.00 31.04 C ATOM 0 H THR A 81 -3.555 18.932 0.722 1.00 32.43 H new ATOM 0 HA THR A 81 -6.340 17.907 0.945 1.00 53.13 H new ATOM 0 HB THR A 81 -4.912 16.737 2.476 1.00 23.41 H new ATOM 0 HG1 THR A 81 -5.883 17.452 4.511 1.00 23.45 H new ATOM 0 HG21 THR A 81 -3.570 17.837 4.253 1.00 31.04 H new ATOM 0 HG22 THR A 81 -2.970 18.198 2.617 1.00 31.04 H new ATOM 0 HG23 THR A 81 -3.911 19.417 3.508 1.00 31.04 H new ATOM 1294 N GLY A 82 -7.248 20.188 1.230 1.00 1.24 N ATOM 1295 CA GLY A 82 -7.855 21.516 1.355 1.00 12.41 C ATOM 1296 C GLY A 82 -7.320 22.506 0.321 1.00 61.14 C ATOM 1297 O GLY A 82 -7.820 22.574 -0.808 1.00 4.02 O ATOM 0 H GLY A 82 -7.887 19.476 0.876 1.00 1.24 H new ATOM 0 HA2 GLY A 82 -8.936 21.429 1.244 1.00 12.41 H new ATOM 0 HA3 GLY A 82 -7.667 21.905 2.356 1.00 12.41 H new ATOM 1301 N GLY A 83 -6.290 23.261 0.715 1.00 35.43 N ATOM 1302 CA GLY A 83 -5.614 24.223 -0.165 1.00 11.14 C ATOM 1303 C GLY A 83 -4.107 24.241 0.057 1.00 64.24 C ATOM 1304 O GLY A 83 -3.424 25.205 -0.311 1.00 11.13 O ATOM 0 H GLY A 83 -5.899 23.223 1.656 1.00 35.43 H new ATOM 0 HA2 GLY A 83 -5.824 23.972 -1.205 1.00 11.14 H new ATOM 0 HA3 GLY A 83 -6.018 25.220 0.010 1.00 11.14 H new ATOM 1308 N THR A 84 -3.595 23.163 0.673 1.00 11.12 N ATOM 1309 CA THR A 84 -2.159 22.953 0.914 1.00 64.13 C ATOM 1310 C THR A 84 -1.740 21.614 0.296 1.00 12.11 C ATOM 1311 O THR A 84 -2.529 20.654 0.294 1.00 12.21 O ATOM 1312 CB THR A 84 -1.829 22.939 2.452 1.00 25.24 C ATOM 1313 OG1 THR A 84 -2.674 21.993 3.134 1.00 24.14 O ATOM 1314 CG2 THR A 84 -1.995 24.334 3.094 1.00 12.00 C ATOM 0 H THR A 84 -4.177 22.401 1.023 1.00 11.12 H new ATOM 0 HA THR A 84 -1.610 23.776 0.457 1.00 64.13 H new ATOM 0 HB THR A 84 -0.785 22.644 2.554 1.00 25.24 H new ATOM 0 HG1 THR A 84 -3.332 21.629 2.505 1.00 24.14 H new ATOM 0 HG21 THR A 84 -1.757 24.276 4.156 1.00 12.00 H new ATOM 0 HG22 THR A 84 -1.321 25.040 2.609 1.00 12.00 H new ATOM 0 HG23 THR A 84 -3.024 24.671 2.971 1.00 12.00 H new ATOM 1322 N THR A 85 -0.509 21.553 -0.223 1.00 31.42 N ATOM 1323 CA THR A 85 0.053 20.334 -0.799 1.00 32.51 C ATOM 1324 C THR A 85 1.269 19.916 0.052 1.00 3.54 C ATOM 1325 O THR A 85 2.338 20.534 -0.018 1.00 5.14 O ATOM 1326 CB THR A 85 0.452 20.569 -2.298 1.00 50.32 C ATOM 1327 OG1 THR A 85 -0.651 21.184 -2.996 1.00 61.45 O ATOM 1328 CG2 THR A 85 0.832 19.260 -3.020 1.00 63.23 C ATOM 0 H THR A 85 0.125 22.352 -0.254 1.00 31.42 H new ATOM 0 HA THR A 85 -0.686 19.533 -0.789 1.00 32.51 H new ATOM 0 HB THR A 85 1.328 21.218 -2.302 1.00 50.32 H new ATOM 0 HG1 THR A 85 -0.403 21.333 -3.932 1.00 61.45 H new ATOM 0 HG21 THR A 85 1.100 19.479 -4.054 1.00 63.23 H new ATOM 0 HG22 THR A 85 1.681 18.799 -2.515 1.00 63.23 H new ATOM 0 HG23 THR A 85 -0.016 18.575 -3.002 1.00 63.23 H new ATOM 1336 N THR A 86 1.071 18.878 0.878 1.00 75.21 N ATOM 1337 CA THR A 86 2.073 18.358 1.811 1.00 3.22 C ATOM 1338 C THR A 86 2.698 17.081 1.229 1.00 32.20 C ATOM 1339 O THR A 86 1.988 16.098 0.982 1.00 21.11 O ATOM 1340 CB THR A 86 1.393 18.037 3.189 1.00 13.40 C ATOM 1341 OG1 THR A 86 0.621 19.169 3.619 1.00 52.11 O ATOM 1342 CG2 THR A 86 2.413 17.681 4.284 1.00 35.23 C ATOM 0 H THR A 86 0.189 18.367 0.914 1.00 75.21 H new ATOM 0 HA THR A 86 2.852 19.105 1.962 1.00 3.22 H new ATOM 0 HB THR A 86 0.754 17.167 3.036 1.00 13.40 H new ATOM 0 HG1 THR A 86 0.195 18.967 4.478 1.00 52.11 H new ATOM 0 HG21 THR A 86 1.888 17.468 5.215 1.00 35.23 H new ATOM 0 HG22 THR A 86 2.982 16.803 3.980 1.00 35.23 H new ATOM 0 HG23 THR A 86 3.093 18.520 4.434 1.00 35.23 H new ATOM 1350 N ASN A 87 4.017 17.097 1.000 1.00 32.32 N ATOM 1351 CA ASN A 87 4.744 15.917 0.523 1.00 15.12 C ATOM 1352 C ASN A 87 4.958 14.963 1.719 1.00 2.55 C ATOM 1353 O ASN A 87 5.827 15.192 2.559 1.00 64.35 O ATOM 1354 CB ASN A 87 6.084 16.356 -0.117 1.00 33.34 C ATOM 1355 CG ASN A 87 6.914 15.190 -0.658 1.00 31.23 C ATOM 1356 OD1 ASN A 87 7.770 14.644 0.039 1.00 73.42 O ATOM 1357 ND2 ASN A 87 6.661 14.793 -1.895 1.00 31.13 N ATOM 0 H ASN A 87 4.604 17.920 1.139 1.00 32.32 H new ATOM 0 HA ASN A 87 4.176 15.391 -0.244 1.00 15.12 H new ATOM 0 HB2 ASN A 87 5.878 17.053 -0.930 1.00 33.34 H new ATOM 0 HB3 ASN A 87 6.672 16.896 0.625 1.00 33.34 H new ATOM 0 HD21 ASN A 87 7.182 14.013 -2.297 1.00 31.13 H new ATOM 0 HD22 ASN A 87 5.945 15.267 -2.446 1.00 31.13 H new ATOM 1364 N THR A 88 4.125 13.918 1.789 1.00 32.13 N ATOM 1365 CA THR A 88 4.056 12.990 2.927 1.00 64.42 C ATOM 1366 C THR A 88 4.543 11.597 2.496 1.00 74.55 C ATOM 1367 O THR A 88 4.004 11.006 1.552 1.00 61.35 O ATOM 1368 CB THR A 88 2.590 12.886 3.462 1.00 52.32 C ATOM 1369 OG1 THR A 88 2.086 14.197 3.773 1.00 14.14 O ATOM 1370 CG2 THR A 88 2.486 11.986 4.709 1.00 13.44 C ATOM 0 H THR A 88 3.468 13.688 1.044 1.00 32.13 H new ATOM 0 HA THR A 88 4.696 13.371 3.722 1.00 64.42 H new ATOM 0 HB THR A 88 1.990 12.431 2.673 1.00 52.32 H new ATOM 0 HG1 THR A 88 1.167 14.124 4.106 1.00 14.14 H new ATOM 0 HG21 THR A 88 1.449 11.945 5.043 1.00 13.44 H new ATOM 0 HG22 THR A 88 2.827 10.981 4.462 1.00 13.44 H new ATOM 0 HG23 THR A 88 3.108 12.395 5.505 1.00 13.44 H new ATOM 1378 N THR A 89 5.545 11.073 3.209 1.00 63.22 N ATOM 1379 CA THR A 89 6.089 9.741 2.951 1.00 43.42 C ATOM 1380 C THR A 89 5.268 8.695 3.734 1.00 25.23 C ATOM 1381 O THR A 89 4.814 8.950 4.854 1.00 74.23 O ATOM 1382 CB THR A 89 7.598 9.675 3.365 1.00 32.23 C ATOM 1383 OG1 THR A 89 8.313 10.762 2.745 1.00 11.42 O ATOM 1384 CG2 THR A 89 8.265 8.333 2.976 1.00 73.03 C ATOM 0 H THR A 89 6.000 11.562 3.980 1.00 63.22 H new ATOM 0 HA THR A 89 6.022 9.526 1.885 1.00 43.42 H new ATOM 0 HB THR A 89 7.640 9.756 4.451 1.00 32.23 H new ATOM 0 HG1 THR A 89 9.257 10.723 3.005 1.00 11.42 H new ATOM 0 HG21 THR A 89 9.310 8.342 3.287 1.00 73.03 H new ATOM 0 HG22 THR A 89 7.747 7.512 3.471 1.00 73.03 H new ATOM 0 HG23 THR A 89 8.209 8.198 1.896 1.00 73.03 H new ATOM 1392 N TYR A 90 5.036 7.548 3.099 1.00 33.13 N ATOM 1393 CA TYR A 90 4.393 6.380 3.703 1.00 64.25 C ATOM 1394 C TYR A 90 5.375 5.200 3.661 1.00 4.33 C ATOM 1395 O TYR A 90 5.934 4.877 2.612 1.00 61.41 O ATOM 1396 CB TYR A 90 3.075 6.031 2.950 1.00 10.21 C ATOM 1397 CG TYR A 90 1.892 6.948 3.281 1.00 74.11 C ATOM 1398 CD1 TYR A 90 1.756 8.205 2.685 1.00 54.22 C ATOM 1399 CD2 TYR A 90 0.919 6.554 4.201 1.00 44.14 C ATOM 1400 CE1 TYR A 90 0.692 9.031 2.993 1.00 2.11 C ATOM 1401 CE2 TYR A 90 -0.148 7.375 4.509 1.00 20.34 C ATOM 1402 CZ TYR A 90 -0.258 8.613 3.909 1.00 33.20 C ATOM 1403 OH TYR A 90 -1.320 9.433 4.231 1.00 33.01 O ATOM 0 H TYR A 90 5.297 7.400 2.124 1.00 33.13 H new ATOM 0 HA TYR A 90 4.132 6.598 4.739 1.00 64.25 H new ATOM 0 HB2 TYR A 90 3.262 6.074 1.877 1.00 10.21 H new ATOM 0 HB3 TYR A 90 2.798 5.003 3.185 1.00 10.21 H new ATOM 0 HD1 TYR A 90 2.496 8.536 1.971 1.00 54.22 H new ATOM 0 HD2 TYR A 90 1.002 5.590 4.681 1.00 44.14 H new ATOM 0 HE1 TYR A 90 0.602 9.998 2.521 1.00 2.11 H new ATOM 0 HE2 TYR A 90 -0.895 7.049 5.218 1.00 20.34 H new ATOM 0 HH TYR A 90 -1.033 10.369 4.193 1.00 33.01 H new ATOM 1413 N GLU A 91 5.593 4.590 4.823 1.00 22.31 N ATOM 1414 CA GLU A 91 6.427 3.397 4.984 1.00 24.22 C ATOM 1415 C GLU A 91 5.501 2.189 5.208 1.00 34.10 C ATOM 1416 O GLU A 91 4.928 2.027 6.295 1.00 34.10 O ATOM 1417 CB GLU A 91 7.387 3.593 6.190 1.00 20.52 C ATOM 1418 CG GLU A 91 8.236 4.876 6.128 1.00 33.10 C ATOM 1419 CD GLU A 91 9.111 5.047 7.373 1.00 22.35 C ATOM 1420 OE1 GLU A 91 10.340 4.815 7.306 1.00 3.43 O ATOM 1421 OE2 GLU A 91 8.563 5.402 8.441 1.00 1.25 O ATOM 0 H GLU A 91 5.187 4.917 5.700 1.00 22.31 H new ATOM 0 HA GLU A 91 7.034 3.227 4.095 1.00 24.22 H new ATOM 0 HB2 GLU A 91 6.799 3.605 7.108 1.00 20.52 H new ATOM 0 HB3 GLU A 91 8.054 2.733 6.250 1.00 20.52 H new ATOM 0 HG2 GLU A 91 8.869 4.849 5.241 1.00 33.10 H new ATOM 0 HG3 GLU A 91 7.580 5.740 6.025 1.00 33.10 H new ATOM 1428 N LEU A 92 5.322 1.374 4.160 1.00 44.53 N ATOM 1429 CA LEU A 92 4.503 0.159 4.218 1.00 3.31 C ATOM 1430 C LEU A 92 5.439 -1.033 4.425 1.00 11.35 C ATOM 1431 O LEU A 92 6.164 -1.444 3.512 1.00 22.25 O ATOM 1432 CB LEU A 92 3.620 -0.004 2.945 1.00 51.42 C ATOM 1433 CG LEU A 92 2.463 1.046 2.763 1.00 15.01 C ATOM 1434 CD1 LEU A 92 3.001 2.457 2.475 1.00 31.11 C ATOM 1435 CD2 LEU A 92 1.479 0.609 1.666 1.00 53.15 C ATOM 0 H LEU A 92 5.743 1.541 3.246 1.00 44.53 H new ATOM 0 HA LEU A 92 3.805 0.223 5.053 1.00 3.31 H new ATOM 0 HB2 LEU A 92 4.268 0.045 2.070 1.00 51.42 H new ATOM 0 HB3 LEU A 92 3.179 -1.001 2.959 1.00 51.42 H new ATOM 0 HG LEU A 92 1.926 1.087 3.710 1.00 15.01 H new ATOM 0 HD11 LEU A 92 2.166 3.148 2.357 1.00 31.11 H new ATOM 0 HD12 LEU A 92 3.628 2.784 3.305 1.00 31.11 H new ATOM 0 HD13 LEU A 92 3.591 2.441 1.559 1.00 31.11 H new ATOM 0 HD21 LEU A 92 0.692 1.356 1.565 1.00 53.15 H new ATOM 0 HD22 LEU A 92 2.010 0.511 0.719 1.00 53.15 H new ATOM 0 HD23 LEU A 92 1.037 -0.350 1.935 1.00 53.15 H new ATOM 1447 N ARG A 93 5.438 -1.549 5.656 1.00 60.32 N ATOM 1448 CA ARG A 93 6.339 -2.609 6.094 1.00 25.04 C ATOM 1449 C ARG A 93 5.580 -3.946 6.058 1.00 3.14 C ATOM 1450 O ARG A 93 4.649 -4.166 6.838 1.00 51.43 O ATOM 1451 CB ARG A 93 6.871 -2.259 7.512 1.00 1.22 C ATOM 1452 CG ARG A 93 8.106 -3.063 7.935 1.00 12.42 C ATOM 1453 CD ARG A 93 8.667 -2.642 9.301 1.00 62.01 C ATOM 1454 NE ARG A 93 8.884 -1.189 9.388 1.00 50.20 N ATOM 1455 CZ ARG A 93 10.068 -0.558 9.277 1.00 20.11 C ATOM 1456 NH1 ARG A 93 11.193 -1.238 9.051 1.00 22.23 N ATOM 1457 NH2 ARG A 93 10.114 0.762 9.417 1.00 61.42 N ATOM 0 H ARG A 93 4.799 -1.234 6.386 1.00 60.32 H new ATOM 0 HA ARG A 93 7.201 -2.702 5.434 1.00 25.04 H new ATOM 0 HB2 ARG A 93 7.114 -1.197 7.545 1.00 1.22 H new ATOM 0 HB3 ARG A 93 6.076 -2.427 8.238 1.00 1.22 H new ATOM 0 HG2 ARG A 93 7.848 -4.122 7.967 1.00 12.42 H new ATOM 0 HG3 ARG A 93 8.883 -2.946 7.179 1.00 12.42 H new ATOM 0 HD2 ARG A 93 7.978 -2.953 10.086 1.00 62.01 H new ATOM 0 HD3 ARG A 93 9.609 -3.160 9.480 1.00 62.01 H new ATOM 0 HE ARG A 93 8.062 -0.607 9.547 1.00 50.20 H new ATOM 0 HH11 ARG A 93 11.165 -2.253 8.959 1.00 22.23 H new ATOM 0 HH12 ARG A 93 12.081 -0.742 8.970 1.00 22.23 H new ATOM 0 HH21 ARG A 93 9.259 1.285 9.606 1.00 61.42 H new ATOM 0 HH22 ARG A 93 11.004 1.253 9.335 1.00 61.42 H new ATOM 1471 N PHE A 94 5.942 -4.796 5.091 1.00 21.51 N ATOM 1472 CA PHE A 94 5.257 -6.065 4.817 1.00 43.14 C ATOM 1473 C PHE A 94 6.020 -7.245 5.435 1.00 0.33 C ATOM 1474 O PHE A 94 7.127 -7.575 5.001 1.00 3.00 O ATOM 1475 CB PHE A 94 5.137 -6.260 3.287 1.00 11.31 C ATOM 1476 CG PHE A 94 4.327 -5.184 2.573 1.00 71.20 C ATOM 1477 CD1 PHE A 94 4.957 -4.158 1.877 1.00 43.52 C ATOM 1478 CD2 PHE A 94 2.931 -5.210 2.593 1.00 61.23 C ATOM 1479 CE1 PHE A 94 4.216 -3.176 1.241 1.00 4.14 C ATOM 1480 CE2 PHE A 94 2.196 -4.230 1.954 1.00 11.30 C ATOM 1481 CZ PHE A 94 2.838 -3.221 1.271 1.00 22.13 C ATOM 0 H PHE A 94 6.730 -4.620 4.468 1.00 21.51 H new ATOM 0 HA PHE A 94 4.264 -6.031 5.265 1.00 43.14 H new ATOM 0 HB2 PHE A 94 6.138 -6.288 2.858 1.00 11.31 H new ATOM 0 HB3 PHE A 94 4.680 -7.230 3.092 1.00 11.31 H new ATOM 0 HD1 PHE A 94 6.036 -4.127 1.832 1.00 43.52 H new ATOM 0 HD2 PHE A 94 2.420 -6.006 3.114 1.00 61.23 H new ATOM 0 HE1 PHE A 94 4.718 -2.374 0.721 1.00 4.14 H new ATOM 0 HE2 PHE A 94 1.117 -4.255 1.990 1.00 11.30 H new ATOM 0 HZ PHE A 94 2.262 -2.465 0.759 1.00 22.13 H new ATOM 1491 N GLU A 95 5.431 -7.873 6.456 1.00 25.42 N ATOM 1492 CA GLU A 95 5.984 -9.076 7.074 1.00 24.03 C ATOM 1493 C GLU A 95 5.626 -10.294 6.196 1.00 31.12 C ATOM 1494 O GLU A 95 4.444 -10.652 6.067 1.00 42.55 O ATOM 1495 CB GLU A 95 5.448 -9.260 8.518 1.00 51.22 C ATOM 1496 CG GLU A 95 5.844 -8.144 9.524 1.00 53.05 C ATOM 1497 CD GLU A 95 5.273 -6.730 9.219 1.00 72.13 C ATOM 1498 OE1 GLU A 95 4.035 -6.551 9.229 1.00 51.41 O ATOM 1499 OE2 GLU A 95 6.065 -5.783 8.995 1.00 22.44 O ATOM 0 H GLU A 95 4.556 -7.559 6.876 1.00 25.42 H new ATOM 0 HA GLU A 95 7.068 -8.980 7.143 1.00 24.03 H new ATOM 0 HB2 GLU A 95 4.360 -9.321 8.479 1.00 51.22 H new ATOM 0 HB3 GLU A 95 5.807 -10.215 8.901 1.00 51.22 H new ATOM 0 HG2 GLU A 95 5.514 -8.443 10.519 1.00 53.05 H new ATOM 0 HG3 GLU A 95 6.932 -8.078 9.556 1.00 53.05 H new ATOM 1506 N VAL A 96 6.652 -10.898 5.573 1.00 4.12 N ATOM 1507 CA VAL A 96 6.499 -12.063 4.687 1.00 61.12 C ATOM 1508 C VAL A 96 6.442 -13.356 5.532 1.00 60.35 C ATOM 1509 O VAL A 96 7.132 -13.473 6.551 1.00 30.53 O ATOM 1510 CB VAL A 96 7.670 -12.142 3.610 1.00 21.53 C ATOM 1511 CG1 VAL A 96 8.010 -10.736 3.069 1.00 13.12 C ATOM 1512 CG2 VAL A 96 8.952 -12.850 4.124 1.00 53.10 C ATOM 0 H VAL A 96 7.619 -10.588 5.671 1.00 4.12 H new ATOM 0 HA VAL A 96 5.565 -11.953 4.137 1.00 61.12 H new ATOM 0 HB VAL A 96 7.287 -12.763 2.800 1.00 21.53 H new ATOM 0 HG11 VAL A 96 8.812 -10.813 2.335 1.00 13.12 H new ATOM 0 HG12 VAL A 96 7.127 -10.304 2.598 1.00 13.12 H new ATOM 0 HG13 VAL A 96 8.331 -10.097 3.892 1.00 13.12 H new ATOM 0 HG21 VAL A 96 9.702 -12.864 3.333 1.00 53.10 H new ATOM 0 HG22 VAL A 96 9.344 -12.311 4.987 1.00 53.10 H new ATOM 0 HG23 VAL A 96 8.711 -13.873 4.414 1.00 53.10 H new ATOM 1522 N ASP A 97 5.595 -14.303 5.115 1.00 15.02 N ATOM 1523 CA ASP A 97 5.386 -15.576 5.825 1.00 54.14 C ATOM 1524 C ASP A 97 5.240 -16.693 4.784 1.00 3.40 C ATOM 1525 O ASP A 97 4.308 -16.668 3.965 1.00 62.44 O ATOM 1526 CB ASP A 97 4.122 -15.474 6.715 1.00 50.41 C ATOM 1527 CG ASP A 97 3.976 -16.628 7.722 1.00 71.41 C ATOM 1528 OD1 ASP A 97 4.622 -16.572 8.795 1.00 41.01 O ATOM 1529 OD2 ASP A 97 3.200 -17.578 7.463 1.00 71.44 O ATOM 0 H ASP A 97 5.030 -14.210 4.271 1.00 15.02 H new ATOM 0 HA ASP A 97 6.234 -15.799 6.472 1.00 54.14 H new ATOM 0 HB2 ASP A 97 4.148 -14.530 7.260 1.00 50.41 H new ATOM 0 HB3 ASP A 97 3.240 -15.449 6.075 1.00 50.41 H new ATOM 1534 N GLY A 98 6.174 -17.646 4.806 1.00 31.41 N ATOM 1535 CA GLY A 98 6.233 -18.707 3.813 1.00 12.23 C ATOM 1536 C GLY A 98 6.825 -18.214 2.499 1.00 71.41 C ATOM 1537 O GLY A 98 8.049 -18.100 2.361 1.00 50.31 O ATOM 0 H GLY A 98 6.907 -17.699 5.513 1.00 31.41 H new ATOM 0 HA2 GLY A 98 6.834 -19.532 4.196 1.00 12.23 H new ATOM 0 HA3 GLY A 98 5.231 -19.098 3.637 1.00 12.23 H new ATOM 1541 N ASP A 99 5.936 -17.908 1.544 1.00 21.53 N ATOM 1542 CA ASP A 99 6.303 -17.517 0.161 1.00 20.04 C ATOM 1543 C ASP A 99 5.733 -16.130 -0.190 1.00 73.11 C ATOM 1544 O ASP A 99 6.162 -15.496 -1.166 1.00 13.23 O ATOM 1545 CB ASP A 99 5.777 -18.574 -0.853 1.00 13.11 C ATOM 1546 CG ASP A 99 6.342 -19.986 -0.603 1.00 33.00 C ATOM 1547 OD1 ASP A 99 5.817 -20.708 0.279 1.00 34.20 O ATOM 1548 OD2 ASP A 99 7.319 -20.379 -1.272 1.00 63.53 O ATOM 0 H ASP A 99 4.929 -17.923 1.704 1.00 21.53 H new ATOM 0 HA ASP A 99 7.390 -17.469 0.101 1.00 20.04 H new ATOM 0 HB2 ASP A 99 4.689 -18.610 -0.799 1.00 13.11 H new ATOM 0 HB3 ASP A 99 6.036 -18.259 -1.864 1.00 13.11 H new ATOM 1553 N THR A 100 4.749 -15.665 0.600 1.00 23.33 N ATOM 1554 CA THR A 100 4.028 -14.412 0.319 1.00 13.35 C ATOM 1555 C THR A 100 3.764 -13.633 1.626 1.00 74.42 C ATOM 1556 O THR A 100 3.868 -14.198 2.715 1.00 74.22 O ATOM 1557 CB THR A 100 2.692 -14.717 -0.464 1.00 22.54 C ATOM 1558 OG1 THR A 100 2.343 -13.592 -1.280 1.00 21.33 O ATOM 1559 CG2 THR A 100 1.497 -15.076 0.457 1.00 12.13 C ATOM 0 H THR A 100 4.434 -16.143 1.444 1.00 23.33 H new ATOM 0 HA THR A 100 4.648 -13.779 -0.316 1.00 13.35 H new ATOM 0 HB THR A 100 2.889 -15.596 -1.077 1.00 22.54 H new ATOM 0 HG1 THR A 100 1.716 -13.017 -0.794 1.00 21.33 H new ATOM 0 HG21 THR A 100 0.615 -15.273 -0.152 1.00 12.13 H new ATOM 0 HG22 THR A 100 1.741 -15.964 1.040 1.00 12.13 H new ATOM 0 HG23 THR A 100 1.295 -14.244 1.131 1.00 12.13 H new ATOM 1567 N ILE A 101 3.396 -12.349 1.497 1.00 1.33 N ATOM 1568 CA ILE A 101 3.186 -11.453 2.647 1.00 70.11 C ATOM 1569 C ILE A 101 1.825 -11.764 3.312 1.00 60.42 C ATOM 1570 O ILE A 101 0.810 -11.925 2.621 1.00 51.33 O ATOM 1571 CB ILE A 101 3.268 -9.925 2.238 1.00 20.20 C ATOM 1572 CG1 ILE A 101 4.707 -9.501 1.768 1.00 5.32 C ATOM 1573 CG2 ILE A 101 2.788 -9.006 3.397 1.00 53.14 C ATOM 1574 CD1 ILE A 101 5.177 -10.054 0.426 1.00 40.44 C ATOM 0 H ILE A 101 3.236 -11.902 0.594 1.00 1.33 H new ATOM 0 HA ILE A 101 3.990 -11.635 3.361 1.00 70.11 H new ATOM 0 HB ILE A 101 2.598 -9.799 1.387 1.00 20.20 H new ATOM 0 HG12 ILE A 101 4.743 -8.413 1.720 1.00 5.32 H new ATOM 0 HG13 ILE A 101 5.420 -9.810 2.532 1.00 5.32 H new ATOM 0 HG21 ILE A 101 2.856 -7.963 3.087 1.00 53.14 H new ATOM 0 HG22 ILE A 101 1.754 -9.244 3.646 1.00 53.14 H new ATOM 0 HG23 ILE A 101 3.418 -9.166 4.272 1.00 53.14 H new ATOM 0 HD11 ILE A 101 6.182 -9.690 0.214 1.00 40.44 H new ATOM 0 HD12 ILE A 101 5.186 -11.143 0.464 1.00 40.44 H new ATOM 0 HD13 ILE A 101 4.499 -9.725 -0.361 1.00 40.44 H new ATOM 1586 N ARG A 102 1.831 -11.855 4.656 1.00 24.32 N ATOM 1587 CA ARG A 102 0.640 -12.178 5.478 1.00 41.13 C ATOM 1588 C ARG A 102 0.362 -11.085 6.528 1.00 11.51 C ATOM 1589 O ARG A 102 -0.546 -11.240 7.355 1.00 11.21 O ATOM 1590 CB ARG A 102 0.850 -13.555 6.176 1.00 42.32 C ATOM 1591 CG ARG A 102 0.794 -14.770 5.227 1.00 35.53 C ATOM 1592 CD ARG A 102 -0.611 -15.004 4.652 1.00 3.33 C ATOM 1593 NE ARG A 102 -1.594 -15.244 5.729 1.00 74.21 N ATOM 1594 CZ ARG A 102 -2.919 -15.408 5.566 1.00 34.12 C ATOM 1595 NH1 ARG A 102 -3.478 -15.373 4.359 1.00 32.33 N ATOM 1596 NH2 ARG A 102 -3.690 -15.588 6.628 1.00 63.12 N ATOM 0 H ARG A 102 2.673 -11.705 5.212 1.00 24.32 H new ATOM 0 HA ARG A 102 -0.227 -12.228 4.820 1.00 41.13 H new ATOM 0 HB2 ARG A 102 1.816 -13.548 6.680 1.00 42.32 H new ATOM 0 HB3 ARG A 102 0.089 -13.677 6.947 1.00 42.32 H new ATOM 0 HG2 ARG A 102 1.498 -14.620 4.408 1.00 35.53 H new ATOM 0 HG3 ARG A 102 1.116 -15.662 5.765 1.00 35.53 H new ATOM 0 HD2 ARG A 102 -0.915 -14.138 4.064 1.00 3.33 H new ATOM 0 HD3 ARG A 102 -0.593 -15.858 3.975 1.00 3.33 H new ATOM 0 HE ARG A 102 -1.235 -15.289 6.683 1.00 74.21 H new ATOM 0 HH11 ARG A 102 -2.899 -15.219 3.533 1.00 32.33 H new ATOM 0 HH12 ARG A 102 -4.485 -15.500 4.260 1.00 32.33 H new ATOM 0 HH21 ARG A 102 -3.278 -15.601 7.561 1.00 63.12 H new ATOM 0 HH22 ARG A 102 -4.696 -15.713 6.513 1.00 63.12 H new ATOM 1610 N ARG A 103 1.124 -9.976 6.488 1.00 42.12 N ATOM 1611 CA ARG A 103 0.945 -8.861 7.431 1.00 25.14 C ATOM 1612 C ARG A 103 1.458 -7.552 6.795 1.00 42.32 C ATOM 1613 O ARG A 103 2.566 -7.514 6.264 1.00 61.34 O ATOM 1614 CB ARG A 103 1.700 -9.152 8.761 1.00 42.02 C ATOM 1615 CG ARG A 103 1.213 -8.341 9.982 1.00 73.42 C ATOM 1616 CD ARG A 103 -0.215 -8.713 10.421 1.00 41.21 C ATOM 1617 NE ARG A 103 -0.701 -7.858 11.522 1.00 2.31 N ATOM 1618 CZ ARG A 103 -1.950 -7.885 12.022 1.00 4.55 C ATOM 1619 NH1 ARG A 103 -2.869 -8.716 11.526 1.00 70.13 N ATOM 1620 NH2 ARG A 103 -2.278 -7.067 13.015 1.00 73.35 N ATOM 0 H ARG A 103 1.871 -9.830 5.809 1.00 42.12 H new ATOM 0 HA ARG A 103 -0.116 -8.752 7.656 1.00 25.14 H new ATOM 0 HB2 ARG A 103 1.606 -10.214 8.989 1.00 42.02 H new ATOM 0 HB3 ARG A 103 2.761 -8.951 8.610 1.00 42.02 H new ATOM 0 HG2 ARG A 103 1.897 -8.503 10.815 1.00 73.42 H new ATOM 0 HG3 ARG A 103 1.248 -7.278 9.743 1.00 73.42 H new ATOM 0 HD2 ARG A 103 -0.890 -8.624 9.570 1.00 41.21 H new ATOM 0 HD3 ARG A 103 -0.236 -9.756 10.737 1.00 41.21 H new ATOM 0 HE ARG A 103 -0.041 -7.198 11.934 1.00 2.31 H new ATOM 0 HH11 ARG A 103 -2.629 -9.342 10.757 1.00 70.13 H new ATOM 0 HH12 ARG A 103 -3.812 -8.725 11.915 1.00 70.13 H new ATOM 0 HH21 ARG A 103 -1.585 -6.422 13.395 1.00 73.35 H new ATOM 0 HH22 ARG A 103 -3.223 -7.083 13.398 1.00 73.35 H new ATOM 1634 N VAL A 104 0.627 -6.506 6.839 1.00 74.41 N ATOM 1635 CA VAL A 104 0.982 -5.144 6.377 1.00 42.34 C ATOM 1636 C VAL A 104 1.105 -4.206 7.598 1.00 14.52 C ATOM 1637 O VAL A 104 0.448 -4.420 8.623 1.00 4.02 O ATOM 1638 CB VAL A 104 -0.092 -4.583 5.353 1.00 40.24 C ATOM 1639 CG1 VAL A 104 -1.514 -4.559 5.963 1.00 14.11 C ATOM 1640 CG2 VAL A 104 0.300 -3.186 4.796 1.00 60.31 C ATOM 0 H VAL A 104 -0.325 -6.573 7.199 1.00 74.41 H new ATOM 0 HA VAL A 104 1.938 -5.191 5.855 1.00 42.34 H new ATOM 0 HB VAL A 104 -0.105 -5.276 4.511 1.00 40.24 H new ATOM 0 HG11 VAL A 104 -2.218 -4.168 5.229 1.00 14.11 H new ATOM 0 HG12 VAL A 104 -1.807 -5.571 6.244 1.00 14.11 H new ATOM 0 HG13 VAL A 104 -1.520 -3.921 6.847 1.00 14.11 H new ATOM 0 HG21 VAL A 104 -0.466 -2.844 4.100 1.00 60.31 H new ATOM 0 HG22 VAL A 104 0.385 -2.477 5.619 1.00 60.31 H new ATOM 0 HG23 VAL A 104 1.256 -3.256 4.278 1.00 60.31 H new ATOM 1650 N THR A 105 1.981 -3.195 7.492 1.00 13.30 N ATOM 1651 CA THR A 105 2.099 -2.114 8.482 1.00 4.04 C ATOM 1652 C THR A 105 2.094 -0.773 7.736 1.00 33.22 C ATOM 1653 O THR A 105 3.065 -0.444 7.057 1.00 50.31 O ATOM 1654 CB THR A 105 3.423 -2.240 9.306 1.00 62.33 C ATOM 1655 OG1 THR A 105 3.574 -3.584 9.782 1.00 34.20 O ATOM 1656 CG2 THR A 105 3.469 -1.270 10.503 1.00 41.04 C ATOM 0 H THR A 105 2.632 -3.104 6.712 1.00 13.30 H new ATOM 0 HA THR A 105 1.261 -2.178 9.177 1.00 4.04 H new ATOM 0 HB THR A 105 4.242 -1.978 8.636 1.00 62.33 H new ATOM 0 HG1 THR A 105 3.930 -4.148 9.063 1.00 34.20 H new ATOM 0 HG21 THR A 105 4.409 -1.399 11.040 1.00 41.04 H new ATOM 0 HG22 THR A 105 3.395 -0.244 10.143 1.00 41.04 H new ATOM 0 HG23 THR A 105 2.636 -1.480 11.174 1.00 41.04 H new ATOM 1664 N VAL A 106 0.986 -0.031 7.827 1.00 30.44 N ATOM 1665 CA VAL A 106 0.882 1.316 7.245 1.00 14.03 C ATOM 1666 C VAL A 106 1.365 2.343 8.286 1.00 24.21 C ATOM 1667 O VAL A 106 0.680 2.595 9.284 1.00 21.43 O ATOM 1668 CB VAL A 106 -0.593 1.645 6.784 1.00 61.31 C ATOM 1669 CG1 VAL A 106 -0.684 3.059 6.159 1.00 61.24 C ATOM 1670 CG2 VAL A 106 -1.129 0.558 5.813 1.00 11.22 C ATOM 0 H VAL A 106 0.139 -0.342 8.303 1.00 30.44 H new ATOM 0 HA VAL A 106 1.509 1.362 6.355 1.00 14.03 H new ATOM 0 HB VAL A 106 -1.229 1.639 7.669 1.00 61.31 H new ATOM 0 HG11 VAL A 106 -1.711 3.256 5.852 1.00 61.24 H new ATOM 0 HG12 VAL A 106 -0.377 3.802 6.895 1.00 61.24 H new ATOM 0 HG13 VAL A 106 -0.028 3.116 5.290 1.00 61.24 H new ATOM 0 HG21 VAL A 106 -2.146 0.809 5.511 1.00 11.22 H new ATOM 0 HG22 VAL A 106 -0.490 0.511 4.931 1.00 11.22 H new ATOM 0 HG23 VAL A 106 -1.128 -0.410 6.314 1.00 11.22 H new ATOM 1680 N THR A 107 2.577 2.876 8.075 1.00 31.33 N ATOM 1681 CA THR A 107 3.183 3.889 8.952 1.00 70.00 C ATOM 1682 C THR A 107 3.369 5.190 8.161 1.00 43.24 C ATOM 1683 O THR A 107 4.238 5.267 7.293 1.00 33.01 O ATOM 1684 CB THR A 107 4.564 3.380 9.498 1.00 24.11 C ATOM 1685 OG1 THR A 107 4.390 2.099 10.124 1.00 72.31 O ATOM 1686 CG2 THR A 107 5.209 4.353 10.505 1.00 60.23 C ATOM 0 H THR A 107 3.168 2.615 7.286 1.00 31.33 H new ATOM 0 HA THR A 107 2.527 4.073 9.803 1.00 70.00 H new ATOM 0 HB THR A 107 5.236 3.307 8.643 1.00 24.11 H new ATOM 0 HG1 THR A 107 5.253 1.781 10.463 1.00 72.31 H new ATOM 0 HG21 THR A 107 6.161 3.946 10.846 1.00 60.23 H new ATOM 0 HG22 THR A 107 5.378 5.316 10.023 1.00 60.23 H new ATOM 0 HG23 THR A 107 4.545 4.486 11.359 1.00 60.23 H new ATOM 1694 N GLN A 108 2.522 6.194 8.435 1.00 21.31 N ATOM 1695 CA GLN A 108 2.642 7.515 7.805 1.00 5.33 C ATOM 1696 C GLN A 108 3.856 8.244 8.416 1.00 61.13 C ATOM 1697 O GLN A 108 3.803 8.675 9.577 1.00 12.22 O ATOM 1698 CB GLN A 108 1.337 8.335 7.995 1.00 43.13 C ATOM 1699 CG GLN A 108 1.336 9.699 7.269 1.00 35.21 C ATOM 1700 CD GLN A 108 0.070 10.538 7.483 1.00 52.05 C ATOM 1701 OE1 GLN A 108 -1.027 10.012 7.681 1.00 22.42 O ATOM 1702 NE2 GLN A 108 0.212 11.854 7.438 1.00 53.12 N ATOM 0 H GLN A 108 1.745 6.114 9.091 1.00 21.31 H new ATOM 0 HA GLN A 108 2.795 7.400 6.732 1.00 5.33 H new ATOM 0 HB2 GLN A 108 0.494 7.744 7.636 1.00 43.13 H new ATOM 0 HB3 GLN A 108 1.178 8.503 9.060 1.00 43.13 H new ATOM 0 HG2 GLN A 108 2.198 10.275 7.605 1.00 35.21 H new ATOM 0 HG3 GLN A 108 1.465 9.527 6.200 1.00 35.21 H new ATOM 0 HE21 GLN A 108 1.132 12.262 7.272 1.00 53.12 H new ATOM 0 HE22 GLN A 108 -0.599 12.459 7.569 1.00 53.12 H new ATOM 1711 N ASN A 109 4.955 8.316 7.641 1.00 70.04 N ATOM 1712 CA ASN A 109 6.231 8.917 8.082 1.00 14.11 C ATOM 1713 C ASN A 109 6.027 10.412 8.436 1.00 44.05 C ATOM 1714 O ASN A 109 5.941 11.281 7.560 1.00 43.44 O ATOM 1715 CB ASN A 109 7.309 8.713 6.985 1.00 52.54 C ATOM 1716 CG ASN A 109 8.718 9.171 7.379 1.00 34.11 C ATOM 1717 OD1 ASN A 109 9.114 10.314 7.132 1.00 1.43 O ATOM 1718 ND2 ASN A 109 9.484 8.278 7.990 1.00 1.55 N ATOM 0 H ASN A 109 4.984 7.957 6.687 1.00 70.04 H new ATOM 0 HA ASN A 109 6.581 8.420 8.987 1.00 14.11 H new ATOM 0 HB2 ASN A 109 7.345 7.656 6.723 1.00 52.54 H new ATOM 0 HB3 ASN A 109 7.003 9.253 6.089 1.00 52.54 H new ATOM 0 HD21 ASN A 109 10.432 8.527 8.271 1.00 1.55 H new ATOM 0 HD22 ASN A 109 9.125 7.342 8.179 1.00 1.55 H new