USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 817 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 30:sc= 0.371 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.47) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc=-0.00972 X(o=-0.0097,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -130:sc= -0.794 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.0847 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.285 K(o=-0.29,f=-2.4!) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 68 LYS NZ :NH3+ -158:sc= -0.0281 (180deg=-0.2) USER MOD Single : A 69 TYR OH : rot -67:sc= 0.678 USER MOD Single : A 76 THR OG1 : rot -81:sc= 1.1 USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.107) USER MOD Single : A 82 ASN : amide:sc= -3.12! K(o=-3.1!,f=-0.9) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.147 K(o=-0.15,f=-5.8!) USER MOD Single : A 105 ASN : amide:sc= -2.63! C(o=-2.6!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 0.303 -3.860 -2.496 1.00 0.37 N ATOM 21 CA VAL A 2 -1.120 -3.703 -2.771 1.00 0.34 C ATOM 22 C VAL A 2 -1.319 -3.315 -4.234 1.00 0.31 C ATOM 23 O VAL A 2 -0.445 -2.673 -4.819 1.00 0.32 O ATOM 24 CB VAL A 2 -1.742 -2.639 -1.834 1.00 0.36 C ATOM 25 CG1 VAL A 2 -3.166 -2.295 -2.243 1.00 0.31 C ATOM 26 CG2 VAL A 2 -1.716 -3.120 -0.389 1.00 0.42 C ATOM 0 HA VAL A 2 -1.625 -4.651 -2.584 1.00 0.34 H new ATOM 0 HB VAL A 2 -1.140 -1.735 -1.921 1.00 0.36 H new ATOM 0 HG11 VAL A 2 -3.569 -1.545 -1.562 1.00 0.31 H new ATOM 0 HG12 VAL A 2 -3.167 -1.901 -3.259 1.00 0.31 H new ATOM 0 HG13 VAL A 2 -3.783 -3.192 -2.201 1.00 0.31 H new ATOM 0 HG21 VAL A 2 -2.157 -2.360 0.256 1.00 0.42 H new ATOM 0 HG22 VAL A 2 -2.287 -4.044 -0.303 1.00 0.42 H new ATOM 0 HG23 VAL A 2 -0.685 -3.301 -0.084 1.00 0.42 H new ATOM 36 N LYS A 3 -2.440 -3.715 -4.854 1.00 0.27 N ATOM 37 CA LYS A 3 -2.638 -3.384 -6.257 1.00 0.26 C ATOM 38 C LYS A 3 -4.089 -3.069 -6.565 1.00 0.23 C ATOM 39 O LYS A 3 -4.972 -3.914 -6.436 1.00 0.21 O ATOM 40 CB LYS A 3 -2.145 -4.521 -7.163 1.00 0.27 C ATOM 41 CG LYS A 3 -2.331 -5.916 -6.582 1.00 0.66 C ATOM 42 CD LYS A 3 -1.745 -6.982 -7.499 1.00 1.04 C ATOM 43 CE LYS A 3 -0.240 -7.113 -7.318 1.00 1.16 C ATOM 44 NZ LYS A 3 0.298 -8.330 -7.987 1.00 1.77 N ATOM 0 H LYS A 3 -3.193 -4.248 -4.419 1.00 0.27 H new ATOM 0 HA LYS A 3 -2.050 -2.489 -6.458 1.00 0.26 H new ATOM 0 HB2 LYS A 3 -2.672 -4.464 -8.115 1.00 0.27 H new ATOM 0 HB3 LYS A 3 -1.087 -4.367 -7.375 1.00 0.27 H new ATOM 0 HG2 LYS A 3 -1.852 -5.972 -5.604 1.00 0.66 H new ATOM 0 HG3 LYS A 3 -3.393 -6.109 -6.428 1.00 0.66 H new ATOM 0 HD2 LYS A 3 -2.221 -7.941 -7.294 1.00 1.04 H new ATOM 0 HD3 LYS A 3 -1.967 -6.732 -8.536 1.00 1.04 H new ATOM 0 HE2 LYS A 3 0.252 -6.229 -7.723 1.00 1.16 H new ATOM 0 HE3 LYS A 3 -0.004 -7.150 -6.254 1.00 1.16 H new ATOM 0 HZ1 LYS A 3 1.326 -8.381 -7.839 1.00 1.77 H new ATOM 0 HZ2 LYS A 3 -0.152 -9.176 -7.583 1.00 1.77 H new ATOM 0 HZ3 LYS A 3 0.096 -8.284 -9.006 1.00 1.77 H new ATOM 58 N GLN A 4 -4.314 -1.837 -6.992 1.00 0.24 N ATOM 59 CA GLN A 4 -5.643 -1.377 -7.342 1.00 0.23 C ATOM 60 C GLN A 4 -6.097 -2.046 -8.640 1.00 0.21 C ATOM 61 O GLN A 4 -5.409 -1.962 -9.657 1.00 0.21 O ATOM 62 CB GLN A 4 -5.630 0.144 -7.499 1.00 0.26 C ATOM 63 CG GLN A 4 -7.000 0.753 -7.745 1.00 0.27 C ATOM 64 CD GLN A 4 -7.408 1.727 -6.657 1.00 0.85 C ATOM 65 OE1 GLN A 4 -6.822 2.802 -6.515 1.00 1.79 O ATOM 66 NE2 GLN A 4 -8.417 1.353 -5.880 1.00 0.98 N ATOM 0 H GLN A 4 -3.584 -1.134 -7.104 1.00 0.24 H new ATOM 0 HA GLN A 4 -6.344 -1.644 -6.551 1.00 0.23 H new ATOM 0 HB2 GLN A 4 -5.203 0.588 -6.600 1.00 0.26 H new ATOM 0 HB3 GLN A 4 -4.973 0.408 -8.328 1.00 0.26 H new ATOM 0 HG2 GLN A 4 -6.998 1.267 -8.706 1.00 0.27 H new ATOM 0 HG3 GLN A 4 -7.741 -0.043 -7.811 1.00 0.27 H new ATOM 0 HE21 GLN A 4 -8.873 0.454 -6.034 1.00 0.98 H new ATOM 0 HE22 GLN A 4 -8.736 1.965 -5.129 1.00 0.98 H new ATOM 75 N ILE A 5 -7.245 -2.716 -8.602 1.00 0.20 N ATOM 76 CA ILE A 5 -7.762 -3.399 -9.791 1.00 0.18 C ATOM 77 C ILE A 5 -8.901 -2.609 -10.428 1.00 0.17 C ATOM 78 O ILE A 5 -9.987 -2.494 -9.857 1.00 0.19 O ATOM 79 CB ILE A 5 -8.218 -4.838 -9.465 1.00 0.18 C ATOM 80 CG1 ILE A 5 -7.008 -5.772 -9.474 1.00 0.20 C ATOM 81 CG2 ILE A 5 -9.265 -5.329 -10.454 1.00 0.23 C ATOM 82 CD1 ILE A 5 -6.257 -5.774 -8.172 1.00 0.23 C ATOM 0 H ILE A 5 -7.832 -2.802 -7.772 1.00 0.20 H new ATOM 0 HA ILE A 5 -6.944 -3.461 -10.509 1.00 0.18 H new ATOM 0 HB ILE A 5 -8.674 -4.836 -8.475 1.00 0.18 H new ATOM 0 HG12 ILE A 5 -7.340 -6.786 -9.697 1.00 0.20 H new ATOM 0 HG13 ILE A 5 -6.333 -5.475 -10.276 1.00 0.20 H new ATOM 0 HG21 ILE A 5 -9.563 -6.345 -10.194 1.00 0.23 H new ATOM 0 HG22 ILE A 5 -10.136 -4.675 -10.417 1.00 0.23 H new ATOM 0 HG23 ILE A 5 -8.847 -5.320 -11.461 1.00 0.23 H new ATOM 0 HD11 ILE A 5 -5.410 -6.456 -8.242 1.00 0.23 H new ATOM 0 HD12 ILE A 5 -5.896 -4.768 -7.959 1.00 0.23 H new ATOM 0 HD13 ILE A 5 -6.920 -6.100 -7.370 1.00 0.23 H new ATOM 94 N GLU A 6 -8.644 -2.072 -11.617 1.00 0.18 N ATOM 95 CA GLU A 6 -9.643 -1.296 -12.336 1.00 0.19 C ATOM 96 C GLU A 6 -10.368 -2.126 -13.386 1.00 0.18 C ATOM 97 O GLU A 6 -11.048 -1.580 -14.255 1.00 0.21 O ATOM 98 CB GLU A 6 -8.997 -0.073 -12.989 1.00 0.23 C ATOM 99 CG GLU A 6 -8.914 1.135 -12.069 1.00 0.99 C ATOM 100 CD GLU A 6 -7.679 1.973 -12.329 1.00 1.11 C ATOM 101 OE1 GLU A 6 -7.733 2.860 -13.207 1.00 1.80 O ATOM 102 OE2 GLU A 6 -6.654 1.740 -11.654 1.00 1.37 O ATOM 0 H GLU A 6 -7.751 -2.161 -12.101 1.00 0.18 H new ATOM 0 HA GLU A 6 -10.384 -0.969 -11.607 1.00 0.19 H new ATOM 0 HB2 GLU A 6 -7.993 -0.336 -13.321 1.00 0.23 H new ATOM 0 HB3 GLU A 6 -9.566 0.197 -13.879 1.00 0.23 H new ATOM 0 HG2 GLU A 6 -9.803 1.752 -12.202 1.00 0.99 H new ATOM 0 HG3 GLU A 6 -8.911 0.799 -11.032 1.00 0.99 H new ATOM 109 N SER A 7 -10.221 -3.440 -13.313 1.00 0.17 N ATOM 110 CA SER A 7 -10.868 -4.331 -14.273 1.00 0.17 C ATOM 111 C SER A 7 -11.096 -5.712 -13.670 1.00 0.18 C ATOM 112 O SER A 7 -10.390 -6.122 -12.748 1.00 0.20 O ATOM 113 CB SER A 7 -10.018 -4.449 -15.539 1.00 0.17 C ATOM 114 OG SER A 7 -10.335 -3.427 -16.467 1.00 0.72 O ATOM 0 H SER A 7 -9.663 -3.915 -12.604 1.00 0.17 H new ATOM 0 HA SER A 7 -11.838 -3.905 -14.530 1.00 0.17 H new ATOM 0 HB2 SER A 7 -8.961 -4.391 -15.277 1.00 0.17 H new ATOM 0 HB3 SER A 7 -10.179 -5.424 -15.999 1.00 0.17 H new ATOM 0 HG SER A 7 -10.629 -2.626 -15.984 1.00 0.72 H new ATOM 120 N LYS A 8 -12.083 -6.432 -14.198 1.00 0.18 N ATOM 121 CA LYS A 8 -12.394 -7.768 -13.701 1.00 0.20 C ATOM 122 C LYS A 8 -11.307 -8.766 -14.105 1.00 0.19 C ATOM 123 O LYS A 8 -11.139 -9.804 -13.465 1.00 0.21 O ATOM 124 CB LYS A 8 -13.777 -8.212 -14.197 1.00 0.22 C ATOM 125 CG LYS A 8 -14.091 -9.690 -13.973 1.00 0.25 C ATOM 126 CD LYS A 8 -14.739 -10.309 -15.201 1.00 0.47 C ATOM 127 CE LYS A 8 -13.717 -11.027 -16.067 1.00 1.03 C ATOM 128 NZ LYS A 8 -14.365 -11.907 -17.080 1.00 1.16 N ATOM 0 H LYS A 8 -12.677 -6.115 -14.964 1.00 0.18 H new ATOM 0 HA LYS A 8 -12.421 -7.738 -12.612 1.00 0.20 H new ATOM 0 HB2 LYS A 8 -14.537 -7.613 -13.696 1.00 0.22 H new ATOM 0 HB3 LYS A 8 -13.852 -7.996 -15.263 1.00 0.22 H new ATOM 0 HG2 LYS A 8 -13.173 -10.227 -13.734 1.00 0.25 H new ATOM 0 HG3 LYS A 8 -14.755 -9.797 -13.116 1.00 0.25 H new ATOM 0 HD2 LYS A 8 -15.512 -11.012 -14.891 1.00 0.47 H new ATOM 0 HD3 LYS A 8 -15.231 -9.531 -15.785 1.00 0.47 H new ATOM 0 HE2 LYS A 8 -13.090 -10.293 -16.573 1.00 1.03 H new ATOM 0 HE3 LYS A 8 -13.061 -11.625 -15.434 1.00 1.03 H new ATOM 0 HZ1 LYS A 8 -13.633 -12.378 -17.650 1.00 1.16 H new ATOM 0 HZ2 LYS A 8 -14.943 -12.624 -16.598 1.00 1.16 H new ATOM 0 HZ3 LYS A 8 -14.971 -11.334 -17.701 1.00 1.16 H new ATOM 142 N THR A 9 -10.550 -8.437 -15.149 1.00 0.18 N ATOM 143 CA THR A 9 -9.466 -9.307 -15.593 1.00 0.19 C ATOM 144 C THR A 9 -8.260 -9.115 -14.686 1.00 0.17 C ATOM 145 O THR A 9 -7.501 -10.050 -14.429 1.00 0.17 O ATOM 146 CB THR A 9 -9.086 -9.010 -17.043 1.00 0.21 C ATOM 147 OG1 THR A 9 -10.243 -8.858 -17.848 1.00 0.28 O ATOM 148 CG2 THR A 9 -8.230 -10.093 -17.669 1.00 0.32 C ATOM 0 H THR A 9 -10.665 -7.585 -15.697 1.00 0.18 H new ATOM 0 HA THR A 9 -9.803 -10.342 -15.538 1.00 0.19 H new ATOM 0 HB THR A 9 -8.509 -8.086 -17.006 1.00 0.21 H new ATOM 0 HG1 THR A 9 -9.976 -8.667 -18.771 1.00 0.28 H new ATOM 0 HG21 THR A 9 -7.995 -9.822 -18.698 1.00 0.32 H new ATOM 0 HG22 THR A 9 -7.305 -10.199 -17.102 1.00 0.32 H new ATOM 0 HG23 THR A 9 -8.773 -11.038 -17.658 1.00 0.32 H new ATOM 156 N ALA A 10 -8.102 -7.887 -14.196 1.00 0.16 N ATOM 157 CA ALA A 10 -7.008 -7.555 -13.298 1.00 0.16 C ATOM 158 C ALA A 10 -7.187 -8.287 -11.974 1.00 0.18 C ATOM 159 O ALA A 10 -6.236 -8.833 -11.420 1.00 0.23 O ATOM 160 CB ALA A 10 -6.939 -6.051 -13.082 1.00 0.18 C ATOM 0 H ALA A 10 -8.722 -7.106 -14.409 1.00 0.16 H new ATOM 0 HA ALA A 10 -6.067 -7.874 -13.747 1.00 0.16 H new ATOM 0 HB1 ALA A 10 -6.115 -5.818 -12.408 1.00 0.18 H new ATOM 0 HB2 ALA A 10 -6.777 -5.553 -14.038 1.00 0.18 H new ATOM 0 HB3 ALA A 10 -7.875 -5.703 -12.645 1.00 0.18 H new ATOM 166 N PHE A 11 -8.428 -8.328 -11.491 1.00 0.21 N ATOM 167 CA PHE A 11 -8.747 -9.019 -10.245 1.00 0.28 C ATOM 168 C PHE A 11 -8.302 -10.471 -10.330 1.00 0.21 C ATOM 169 O PHE A 11 -7.721 -11.012 -9.390 1.00 0.26 O ATOM 170 CB PHE A 11 -10.254 -8.935 -9.968 1.00 0.39 C ATOM 171 CG PHE A 11 -10.627 -9.311 -8.563 1.00 0.50 C ATOM 172 CD1 PHE A 11 -10.060 -8.655 -7.481 1.00 0.35 C ATOM 173 CD2 PHE A 11 -11.540 -10.324 -8.323 1.00 1.04 C ATOM 174 CE1 PHE A 11 -10.395 -9.007 -6.188 1.00 0.41 C ATOM 175 CE2 PHE A 11 -11.880 -10.678 -7.032 1.00 1.16 C ATOM 176 CZ PHE A 11 -11.307 -10.018 -5.963 1.00 0.75 C ATOM 0 H PHE A 11 -9.229 -7.890 -11.945 1.00 0.21 H new ATOM 0 HA PHE A 11 -8.216 -8.538 -9.423 1.00 0.28 H new ATOM 0 HB2 PHE A 11 -10.596 -7.919 -10.167 1.00 0.39 H new ATOM 0 HB3 PHE A 11 -10.780 -9.590 -10.663 1.00 0.39 H new ATOM 0 HD1 PHE A 11 -9.349 -7.860 -7.651 1.00 0.35 H new ATOM 0 HD2 PHE A 11 -11.992 -10.843 -9.155 1.00 1.04 H new ATOM 0 HE1 PHE A 11 -9.943 -8.491 -5.353 1.00 0.41 H new ATOM 0 HE2 PHE A 11 -12.593 -11.470 -6.859 1.00 1.16 H new ATOM 0 HZ PHE A 11 -11.572 -10.292 -4.953 1.00 0.75 H new ATOM 186 N GLN A 12 -8.545 -11.085 -11.483 1.00 0.16 N ATOM 187 CA GLN A 12 -8.136 -12.462 -11.708 1.00 0.15 C ATOM 188 C GLN A 12 -6.613 -12.540 -11.683 1.00 0.18 C ATOM 189 O GLN A 12 -6.028 -13.467 -11.125 1.00 0.19 O ATOM 190 CB GLN A 12 -8.663 -12.963 -13.057 1.00 0.17 C ATOM 191 CG GLN A 12 -10.175 -13.112 -13.104 1.00 0.28 C ATOM 192 CD GLN A 12 -10.714 -13.959 -11.969 1.00 0.54 C ATOM 193 OE1 GLN A 12 -10.981 -15.147 -12.138 1.00 1.27 O ATOM 194 NE2 GLN A 12 -10.874 -13.346 -10.803 1.00 0.90 N ATOM 0 H GLN A 12 -9.022 -10.650 -12.273 1.00 0.16 H new ATOM 0 HA GLN A 12 -8.550 -13.093 -10.922 1.00 0.15 H new ATOM 0 HB2 GLN A 12 -8.350 -12.271 -13.839 1.00 0.17 H new ATOM 0 HB3 GLN A 12 -8.205 -13.926 -13.281 1.00 0.17 H new ATOM 0 HG2 GLN A 12 -10.635 -12.124 -13.065 1.00 0.28 H new ATOM 0 HG3 GLN A 12 -10.463 -13.560 -14.055 1.00 0.28 H new ATOM 0 HE21 GLN A 12 -10.639 -12.358 -10.710 1.00 0.90 H new ATOM 0 HE22 GLN A 12 -11.232 -13.863 -10.000 1.00 0.90 H new ATOM 203 N GLU A 13 -5.986 -11.542 -12.303 1.00 0.20 N ATOM 204 CA GLU A 13 -4.532 -11.456 -12.381 1.00 0.24 C ATOM 205 C GLU A 13 -3.895 -11.388 -10.998 1.00 0.25 C ATOM 206 O GLU A 13 -2.954 -12.124 -10.704 1.00 0.27 O ATOM 207 CB GLU A 13 -4.129 -10.221 -13.189 1.00 0.26 C ATOM 208 CG GLU A 13 -3.823 -10.514 -14.646 1.00 1.02 C ATOM 209 CD GLU A 13 -3.523 -9.257 -15.438 1.00 1.02 C ATOM 210 OE1 GLU A 13 -4.475 -8.514 -15.757 1.00 1.28 O ATOM 211 OE2 GLU A 13 -2.334 -9.013 -15.736 1.00 1.62 O ATOM 0 H GLU A 13 -6.472 -10.773 -12.764 1.00 0.20 H new ATOM 0 HA GLU A 13 -4.173 -12.359 -12.874 1.00 0.24 H new ATOM 0 HB2 GLU A 13 -4.933 -9.487 -13.137 1.00 0.26 H new ATOM 0 HB3 GLU A 13 -3.252 -9.767 -12.728 1.00 0.26 H new ATOM 0 HG2 GLU A 13 -2.970 -11.190 -14.706 1.00 1.02 H new ATOM 0 HG3 GLU A 13 -4.671 -11.030 -15.096 1.00 1.02 H new ATOM 218 N ALA A 14 -4.403 -10.496 -10.153 1.00 0.24 N ATOM 219 CA ALA A 14 -3.868 -10.334 -8.808 1.00 0.27 C ATOM 220 C ALA A 14 -4.096 -11.584 -7.967 1.00 0.28 C ATOM 221 O ALA A 14 -3.285 -11.919 -7.107 1.00 0.30 O ATOM 222 CB ALA A 14 -4.497 -9.122 -8.137 1.00 0.27 C ATOM 0 H ALA A 14 -5.182 -9.877 -10.376 1.00 0.24 H new ATOM 0 HA ALA A 14 -2.792 -10.178 -8.888 1.00 0.27 H new ATOM 0 HB1 ALA A 14 -4.090 -9.010 -7.132 1.00 0.27 H new ATOM 0 HB2 ALA A 14 -4.276 -8.228 -8.720 1.00 0.27 H new ATOM 0 HB3 ALA A 14 -5.577 -9.258 -8.078 1.00 0.27 H new ATOM 228 N LEU A 15 -5.205 -12.270 -8.220 1.00 0.28 N ATOM 229 CA LEU A 15 -5.532 -13.484 -7.478 1.00 0.30 C ATOM 230 C LEU A 15 -4.564 -14.614 -7.838 1.00 0.32 C ATOM 231 O LEU A 15 -4.070 -15.337 -6.963 1.00 0.34 O ATOM 232 CB LEU A 15 -6.977 -13.906 -7.763 1.00 0.30 C ATOM 233 CG LEU A 15 -8.040 -13.152 -6.960 1.00 0.31 C ATOM 234 CD1 LEU A 15 -9.436 -13.585 -7.385 1.00 0.32 C ATOM 235 CD2 LEU A 15 -7.841 -13.380 -5.469 1.00 0.42 C ATOM 0 H LEU A 15 -5.890 -12.009 -8.929 1.00 0.28 H new ATOM 0 HA LEU A 15 -5.432 -13.275 -6.413 1.00 0.30 H new ATOM 0 HB2 LEU A 15 -7.178 -13.766 -8.825 1.00 0.30 H new ATOM 0 HB3 LEU A 15 -7.076 -14.972 -7.558 1.00 0.30 H new ATOM 0 HG LEU A 15 -7.934 -12.086 -7.163 1.00 0.31 H new ATOM 0 HD11 LEU A 15 -10.179 -13.039 -6.804 1.00 0.32 H new ATOM 0 HD12 LEU A 15 -9.576 -13.372 -8.445 1.00 0.32 H new ATOM 0 HD13 LEU A 15 -9.554 -14.655 -7.211 1.00 0.32 H new ATOM 0 HD21 LEU A 15 -8.605 -12.837 -4.913 1.00 0.42 H new ATOM 0 HD22 LEU A 15 -7.921 -14.445 -5.250 1.00 0.42 H new ATOM 0 HD23 LEU A 15 -6.855 -13.022 -5.175 1.00 0.42 H new ATOM 247 N ASP A 16 -4.286 -14.754 -9.131 1.00 0.31 N ATOM 248 CA ASP A 16 -3.378 -15.788 -9.608 1.00 0.33 C ATOM 249 C ASP A 16 -1.982 -15.586 -9.032 1.00 0.31 C ATOM 250 O ASP A 16 -1.253 -16.549 -8.790 1.00 0.29 O ATOM 251 CB ASP A 16 -3.318 -15.781 -11.135 1.00 0.34 C ATOM 252 CG ASP A 16 -3.193 -17.177 -11.713 1.00 0.96 C ATOM 253 OD1 ASP A 16 -3.891 -18.088 -11.219 1.00 1.61 O ATOM 254 OD2 ASP A 16 -2.400 -17.360 -12.661 1.00 1.79 O ATOM 0 H ASP A 16 -4.677 -14.164 -9.865 1.00 0.31 H new ATOM 0 HA ASP A 16 -3.757 -16.754 -9.273 1.00 0.33 H new ATOM 0 HB2 ASP A 16 -4.216 -15.306 -11.529 1.00 0.34 H new ATOM 0 HB3 ASP A 16 -2.470 -15.178 -11.460 1.00 0.34 H new ATOM 259 N ALA A 17 -1.616 -14.328 -8.809 1.00 0.33 N ATOM 260 CA ALA A 17 -0.309 -14.004 -8.256 1.00 0.32 C ATOM 261 C ALA A 17 -0.259 -14.304 -6.765 1.00 0.20 C ATOM 262 O ALA A 17 0.806 -14.591 -6.216 1.00 0.32 O ATOM 263 CB ALA A 17 0.019 -12.542 -8.503 1.00 0.48 C ATOM 0 H ALA A 17 -2.206 -13.519 -9.003 1.00 0.33 H new ATOM 0 HA ALA A 17 0.434 -14.625 -8.756 1.00 0.32 H new ATOM 0 HB1 ALA A 17 0.999 -12.313 -8.084 1.00 0.48 H new ATOM 0 HB2 ALA A 17 0.028 -12.347 -9.575 1.00 0.48 H new ATOM 0 HB3 ALA A 17 -0.734 -11.915 -8.027 1.00 0.48 H new ATOM 269 N ALA A 18 -1.417 -14.253 -6.115 1.00 0.32 N ATOM 270 CA ALA A 18 -1.495 -14.534 -4.691 1.00 0.42 C ATOM 271 C ALA A 18 -1.348 -16.022 -4.413 1.00 0.31 C ATOM 272 O ALA A 18 -0.987 -16.413 -3.305 1.00 0.73 O ATOM 273 CB ALA A 18 -2.787 -13.999 -4.098 1.00 0.67 C ATOM 0 H ALA A 18 -2.309 -14.021 -6.552 1.00 0.32 H new ATOM 0 HA ALA A 18 -0.664 -14.020 -4.208 1.00 0.42 H new ATOM 0 HB1 ALA A 18 -2.818 -14.223 -3.032 1.00 0.67 H new ATOM 0 HB2 ALA A 18 -2.834 -12.920 -4.243 1.00 0.67 H new ATOM 0 HB3 ALA A 18 -3.637 -14.469 -4.593 1.00 0.67 H new ATOM 279 N GLY A 19 -1.598 -16.866 -5.418 1.00 0.40 N ATOM 280 CA GLY A 19 -1.450 -18.301 -5.239 1.00 0.55 C ATOM 281 C GLY A 19 -2.066 -18.849 -3.970 1.00 0.47 C ATOM 282 O GLY A 19 -3.275 -18.751 -3.759 1.00 0.97 O ATOM 0 H GLY A 19 -1.899 -16.580 -6.349 1.00 0.40 H new ATOM 0 HA2 GLY A 19 -1.900 -18.808 -6.093 1.00 0.55 H new ATOM 0 HA3 GLY A 19 -0.388 -18.546 -5.246 1.00 0.55 H new ATOM 286 N ASP A 20 -1.225 -19.449 -3.139 1.00 0.41 N ATOM 287 CA ASP A 20 -1.674 -20.054 -1.893 1.00 0.31 C ATOM 288 C ASP A 20 -1.664 -19.050 -0.749 1.00 0.30 C ATOM 289 O ASP A 20 -2.003 -19.389 0.385 1.00 0.34 O ATOM 290 CB ASP A 20 -0.782 -21.246 -1.555 1.00 0.40 C ATOM 291 CG ASP A 20 -1.432 -22.227 -0.597 1.00 1.46 C ATOM 292 OD1 ASP A 20 -2.197 -21.780 0.282 1.00 2.17 O ATOM 293 OD2 ASP A 20 -1.173 -23.442 -0.726 1.00 2.34 O ATOM 0 H ASP A 20 -0.222 -19.530 -3.307 1.00 0.41 H new ATOM 0 HA ASP A 20 -2.702 -20.391 -2.027 1.00 0.31 H new ATOM 0 HB2 ASP A 20 -0.519 -21.767 -2.475 1.00 0.40 H new ATOM 0 HB3 ASP A 20 0.148 -20.883 -1.117 1.00 0.40 H new ATOM 298 N LYS A 21 -1.310 -17.806 -1.047 1.00 0.29 N ATOM 299 CA LYS A 21 -1.303 -16.765 -0.041 1.00 0.31 C ATOM 300 C LYS A 21 -2.729 -16.304 0.192 1.00 0.26 C ATOM 301 O LYS A 21 -3.563 -16.377 -0.710 1.00 0.26 O ATOM 302 CB LYS A 21 -0.437 -15.587 -0.495 1.00 0.34 C ATOM 303 CG LYS A 21 1.051 -15.895 -0.504 1.00 0.45 C ATOM 304 CD LYS A 21 1.850 -14.756 -1.113 1.00 0.47 C ATOM 305 CE LYS A 21 3.348 -14.991 -0.978 1.00 0.81 C ATOM 306 NZ LYS A 21 4.079 -14.675 -2.238 1.00 1.64 N ATOM 0 H LYS A 21 -1.025 -17.499 -1.977 1.00 0.29 H new ATOM 0 HA LYS A 21 -0.883 -17.157 0.886 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.744 -15.286 -1.497 1.00 0.34 H new ATOM 0 HB3 LYS A 21 -0.620 -14.737 0.163 1.00 0.34 H new ATOM 0 HG2 LYS A 21 1.392 -16.077 0.515 1.00 0.45 H new ATOM 0 HG3 LYS A 21 1.231 -16.810 -1.068 1.00 0.45 H new ATOM 0 HD2 LYS A 21 1.591 -14.651 -2.166 1.00 0.47 H new ATOM 0 HD3 LYS A 21 1.582 -13.820 -0.624 1.00 0.47 H new ATOM 0 HE2 LYS A 21 3.740 -14.376 -0.168 1.00 0.81 H new ATOM 0 HE3 LYS A 21 3.529 -16.031 -0.705 1.00 0.81 H new ATOM 0 HZ1 LYS A 21 5.095 -14.849 -2.103 1.00 1.64 H new ATOM 0 HZ2 LYS A 21 3.724 -15.279 -3.006 1.00 1.64 H new ATOM 0 HZ3 LYS A 21 3.928 -13.676 -2.486 1.00 1.64 H new ATOM 320 N LEU A 22 -3.010 -15.824 1.387 1.00 0.25 N ATOM 321 CA LEU A 22 -4.348 -15.353 1.705 1.00 0.21 C ATOM 322 C LEU A 22 -4.595 -14.017 1.018 1.00 0.21 C ATOM 323 O LEU A 22 -3.823 -13.070 1.180 1.00 0.28 O ATOM 324 CB LEU A 22 -4.506 -15.210 3.221 1.00 0.22 C ATOM 325 CG LEU A 22 -5.919 -14.903 3.738 1.00 0.23 C ATOM 326 CD1 LEU A 22 -6.979 -15.180 2.686 1.00 0.32 C ATOM 327 CD2 LEU A 22 -6.201 -15.712 4.991 1.00 0.19 C ATOM 0 H LEU A 22 -2.337 -15.749 2.150 1.00 0.25 H new ATOM 0 HA LEU A 22 -5.080 -16.076 1.347 1.00 0.21 H new ATOM 0 HB2 LEU A 22 -4.165 -16.134 3.688 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -3.839 -14.417 3.560 1.00 0.22 H new ATOM 0 HG LEU A 22 -5.961 -13.840 3.975 1.00 0.23 H new ATOM 0 HD11 LEU A 22 -7.964 -14.950 3.092 1.00 0.32 H new ATOM 0 HD12 LEU A 22 -6.794 -14.558 1.810 1.00 0.32 H new ATOM 0 HD13 LEU A 22 -6.941 -16.231 2.399 1.00 0.32 H new ATOM 0 HD21 LEU A 22 -7.205 -15.488 5.351 1.00 0.19 H new ATOM 0 HD22 LEU A 22 -6.126 -16.775 4.762 1.00 0.19 H new ATOM 0 HD23 LEU A 22 -5.474 -15.455 5.761 1.00 0.19 H new ATOM 339 N VAL A 23 -5.668 -13.944 0.241 1.00 0.17 N ATOM 340 CA VAL A 23 -5.996 -12.723 -0.474 1.00 0.18 C ATOM 341 C VAL A 23 -7.177 -12.022 0.166 1.00 0.20 C ATOM 342 O VAL A 23 -8.327 -12.433 0.015 1.00 0.23 O ATOM 343 CB VAL A 23 -6.323 -12.978 -1.958 1.00 0.18 C ATOM 344 CG1 VAL A 23 -6.141 -11.711 -2.781 1.00 0.20 C ATOM 345 CG2 VAL A 23 -5.477 -14.114 -2.516 1.00 0.23 C ATOM 0 H VAL A 23 -6.321 -14.713 0.092 1.00 0.17 H new ATOM 0 HA VAL A 23 -5.108 -12.093 -0.418 1.00 0.18 H new ATOM 0 HB VAL A 23 -7.370 -13.275 -2.024 1.00 0.18 H new ATOM 0 HG11 VAL A 23 -6.378 -11.918 -3.825 1.00 0.20 H new ATOM 0 HG12 VAL A 23 -6.807 -10.934 -2.405 1.00 0.20 H new ATOM 0 HG13 VAL A 23 -5.108 -11.372 -2.704 1.00 0.20 H new ATOM 0 HG21 VAL A 23 -5.728 -14.273 -3.565 1.00 0.23 H new ATOM 0 HG22 VAL A 23 -4.421 -13.857 -2.430 1.00 0.23 H new ATOM 0 HG23 VAL A 23 -5.676 -15.026 -1.953 1.00 0.23 H new ATOM 355 N VAL A 24 -6.879 -10.942 0.854 1.00 0.22 N ATOM 356 CA VAL A 24 -7.899 -10.140 1.489 1.00 0.27 C ATOM 357 C VAL A 24 -8.060 -8.879 0.663 1.00 0.28 C ATOM 358 O VAL A 24 -7.126 -8.092 0.518 1.00 0.30 O ATOM 359 CB VAL A 24 -7.537 -9.799 2.949 1.00 0.33 C ATOM 360 CG1 VAL A 24 -6.256 -8.983 3.017 1.00 0.69 C ATOM 361 CG2 VAL A 24 -8.684 -9.070 3.633 1.00 0.58 C ATOM 0 H VAL A 24 -5.928 -10.597 0.988 1.00 0.22 H new ATOM 0 HA VAL A 24 -8.834 -10.698 1.531 1.00 0.27 H new ATOM 0 HB VAL A 24 -7.365 -10.734 3.481 1.00 0.33 H new ATOM 0 HG11 VAL A 24 -6.024 -8.756 4.058 1.00 0.69 H new ATOM 0 HG12 VAL A 24 -5.437 -9.554 2.579 1.00 0.69 H new ATOM 0 HG13 VAL A 24 -6.387 -8.053 2.464 1.00 0.69 H new ATOM 0 HG21 VAL A 24 -8.407 -8.839 4.662 1.00 0.58 H new ATOM 0 HG22 VAL A 24 -8.897 -8.144 3.098 1.00 0.58 H new ATOM 0 HG23 VAL A 24 -9.571 -9.703 3.630 1.00 0.58 H new ATOM 371 N VAL A 25 -9.232 -8.717 0.079 1.00 0.28 N ATOM 372 CA VAL A 25 -9.487 -7.580 -0.781 1.00 0.32 C ATOM 373 C VAL A 25 -10.765 -6.855 -0.396 1.00 0.43 C ATOM 374 O VAL A 25 -11.825 -7.462 -0.253 1.00 0.83 O ATOM 375 CB VAL A 25 -9.555 -8.030 -2.247 1.00 0.31 C ATOM 376 CG1 VAL A 25 -8.205 -8.523 -2.712 1.00 0.27 C ATOM 377 CG2 VAL A 25 -10.575 -9.127 -2.425 1.00 0.32 C ATOM 0 H VAL A 25 -10.019 -9.357 0.185 1.00 0.28 H new ATOM 0 HA VAL A 25 -8.661 -6.880 -0.656 1.00 0.32 H new ATOM 0 HB VAL A 25 -9.851 -7.169 -2.846 1.00 0.31 H new ATOM 0 HG11 VAL A 25 -8.272 -8.838 -3.753 1.00 0.27 H new ATOM 0 HG12 VAL A 25 -7.474 -7.720 -2.622 1.00 0.27 H new ATOM 0 HG13 VAL A 25 -7.894 -9.367 -2.097 1.00 0.27 H new ATOM 0 HG21 VAL A 25 -10.605 -9.429 -3.472 1.00 0.32 H new ATOM 0 HG22 VAL A 25 -10.301 -9.983 -1.808 1.00 0.32 H new ATOM 0 HG23 VAL A 25 -11.557 -8.763 -2.124 1.00 0.32 H new ATOM 387 N ASP A 26 -10.640 -5.552 -0.191 1.00 0.17 N ATOM 388 CA ASP A 26 -11.770 -4.733 0.217 1.00 0.24 C ATOM 389 C ASP A 26 -12.471 -4.112 -0.985 1.00 0.20 C ATOM 390 O ASP A 26 -11.826 -3.572 -1.883 1.00 0.21 O ATOM 391 CB ASP A 26 -11.295 -3.631 1.166 1.00 0.34 C ATOM 392 CG ASP A 26 -12.438 -2.825 1.752 1.00 0.42 C ATOM 393 OD1 ASP A 26 -13.344 -2.430 0.985 1.00 1.16 O ATOM 394 OD2 ASP A 26 -12.424 -2.581 2.976 1.00 1.14 O ATOM 0 H ASP A 26 -9.765 -5.039 -0.301 1.00 0.17 H new ATOM 0 HA ASP A 26 -12.485 -5.377 0.729 1.00 0.24 H new ATOM 0 HB2 ASP A 26 -10.720 -4.079 1.976 1.00 0.34 H new ATOM 0 HB3 ASP A 26 -10.622 -2.962 0.630 1.00 0.34 H new ATOM 399 N PHE A 27 -13.802 -4.162 -0.970 1.00 0.18 N ATOM 400 CA PHE A 27 -14.615 -3.581 -2.037 1.00 0.18 C ATOM 401 C PHE A 27 -15.113 -2.210 -1.591 1.00 0.20 C ATOM 402 O PHE A 27 -15.840 -2.104 -0.604 1.00 0.19 O ATOM 403 CB PHE A 27 -15.799 -4.492 -2.364 1.00 0.20 C ATOM 404 CG PHE A 27 -15.525 -5.403 -3.524 1.00 0.18 C ATOM 405 CD1 PHE A 27 -14.864 -6.607 -3.334 1.00 0.19 C ATOM 406 CD2 PHE A 27 -15.902 -5.044 -4.810 1.00 0.22 C ATOM 407 CE1 PHE A 27 -14.586 -7.437 -4.406 1.00 0.20 C ATOM 408 CE2 PHE A 27 -15.628 -5.873 -5.883 1.00 0.24 C ATOM 409 CZ PHE A 27 -14.969 -7.070 -5.681 1.00 0.21 C ATOM 0 H PHE A 27 -14.343 -4.602 -0.226 1.00 0.18 H new ATOM 0 HA PHE A 27 -14.009 -3.476 -2.937 1.00 0.18 H new ATOM 0 HB2 PHE A 27 -16.045 -5.091 -1.487 1.00 0.20 H new ATOM 0 HB3 PHE A 27 -16.673 -3.880 -2.587 1.00 0.20 H new ATOM 0 HD1 PHE A 27 -14.563 -6.900 -2.339 1.00 0.19 H new ATOM 0 HD2 PHE A 27 -16.415 -4.108 -4.975 1.00 0.22 H new ATOM 0 HE1 PHE A 27 -14.069 -8.372 -4.245 1.00 0.20 H new ATOM 0 HE2 PHE A 27 -15.929 -5.584 -6.879 1.00 0.24 H new ATOM 0 HZ PHE A 27 -14.754 -7.717 -6.518 1.00 0.21 H new ATOM 419 N SER A 28 -14.693 -1.157 -2.286 1.00 0.25 N ATOM 420 CA SER A 28 -15.083 0.198 -1.904 1.00 0.27 C ATOM 421 C SER A 28 -15.745 0.967 -3.048 1.00 0.28 C ATOM 422 O SER A 28 -16.095 0.402 -4.084 1.00 0.31 O ATOM 423 CB SER A 28 -13.852 0.958 -1.400 1.00 0.28 C ATOM 424 OG SER A 28 -12.752 0.782 -2.277 1.00 1.25 O ATOM 0 H SER A 28 -14.090 -1.213 -3.107 1.00 0.25 H new ATOM 0 HA SER A 28 -15.826 0.115 -1.111 1.00 0.27 H new ATOM 0 HB2 SER A 28 -14.086 2.019 -1.313 1.00 0.28 H new ATOM 0 HB3 SER A 28 -13.586 0.607 -0.403 1.00 0.28 H new ATOM 0 HG SER A 28 -11.979 1.278 -1.935 1.00 1.25 H new ATOM 430 N ALA A 29 -15.899 2.274 -2.831 1.00 0.29 N ATOM 431 CA ALA A 29 -16.502 3.172 -3.807 1.00 0.32 C ATOM 432 C ALA A 29 -15.941 4.578 -3.633 1.00 0.31 C ATOM 433 O ALA A 29 -15.520 4.947 -2.537 1.00 0.31 O ATOM 434 CB ALA A 29 -18.021 3.179 -3.662 1.00 0.39 C ATOM 0 H ALA A 29 -15.607 2.737 -1.970 1.00 0.29 H new ATOM 0 HA ALA A 29 -16.259 2.818 -4.809 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -18.454 3.855 -4.399 1.00 0.39 H new ATOM 0 HB2 ALA A 29 -18.406 2.172 -3.823 1.00 0.39 H new ATOM 0 HB3 ALA A 29 -18.289 3.515 -2.660 1.00 0.39 H new ATOM 440 N THR A 30 -15.948 5.368 -4.698 1.00 0.36 N ATOM 441 CA THR A 30 -15.449 6.739 -4.621 1.00 0.39 C ATOM 442 C THR A 30 -16.410 7.593 -3.804 1.00 0.39 C ATOM 443 O THR A 30 -16.001 8.491 -3.069 1.00 0.41 O ATOM 444 CB THR A 30 -15.281 7.336 -6.020 1.00 0.48 C ATOM 445 OG1 THR A 30 -15.032 6.323 -6.973 1.00 0.78 O ATOM 446 CG2 THR A 30 -14.147 8.336 -6.105 1.00 0.92 C ATOM 0 H THR A 30 -16.289 5.089 -5.618 1.00 0.36 H new ATOM 0 HA THR A 30 -14.474 6.725 -4.134 1.00 0.39 H new ATOM 0 HB THR A 30 -16.219 7.850 -6.231 1.00 0.48 H new ATOM 0 HG1 THR A 30 -14.930 6.727 -7.860 1.00 0.78 H new ATOM 0 HG21 THR A 30 -14.079 8.723 -7.122 1.00 0.92 H new ATOM 0 HG22 THR A 30 -14.335 9.159 -5.415 1.00 0.92 H new ATOM 0 HG23 THR A 30 -13.210 7.847 -5.840 1.00 0.92 H new ATOM 454 N TRP A 31 -17.697 7.288 -3.946 1.00 0.40 N ATOM 455 CA TRP A 31 -18.752 8.008 -3.243 1.00 0.44 C ATOM 456 C TRP A 31 -18.996 7.417 -1.849 1.00 0.40 C ATOM 457 O TRP A 31 -19.971 7.764 -1.183 1.00 0.46 O ATOM 458 CB TRP A 31 -20.042 7.954 -4.066 1.00 0.51 C ATOM 459 CG TRP A 31 -20.567 6.559 -4.229 1.00 0.43 C ATOM 460 CD1 TRP A 31 -20.155 5.616 -5.136 1.00 0.58 C ATOM 461 CD2 TRP A 31 -21.596 5.942 -3.450 1.00 0.46 C ATOM 462 NE1 TRP A 31 -20.860 4.451 -4.948 1.00 0.67 N ATOM 463 CE2 TRP A 31 -21.746 4.630 -3.927 1.00 0.57 C ATOM 464 CE3 TRP A 31 -22.400 6.369 -2.391 1.00 0.64 C ATOM 465 CZ2 TRP A 31 -22.666 3.741 -3.385 1.00 0.73 C ATOM 466 CZ3 TRP A 31 -23.314 5.483 -1.850 1.00 0.81 C ATOM 467 CH2 TRP A 31 -23.441 4.183 -2.349 1.00 0.81 C ATOM 0 H TRP A 31 -18.036 6.538 -4.549 1.00 0.40 H new ATOM 0 HA TRP A 31 -18.437 9.044 -3.118 1.00 0.44 H new ATOM 0 HB2 TRP A 31 -20.802 8.570 -3.584 1.00 0.51 H new ATOM 0 HB3 TRP A 31 -19.859 8.386 -5.050 1.00 0.51 H new ATOM 0 HD1 TRP A 31 -19.392 5.766 -5.885 1.00 0.58 H new ATOM 0 HE1 TRP A 31 -20.740 3.592 -5.485 1.00 0.67 H new ATOM 0 HE3 TRP A 31 -22.310 7.372 -2.002 1.00 0.64 H new ATOM 0 HZ2 TRP A 31 -22.765 2.736 -3.769 1.00 0.73 H new ATOM 0 HZ3 TRP A 31 -23.940 5.800 -1.029 1.00 0.81 H new ATOM 0 HH2 TRP A 31 -24.166 3.515 -1.907 1.00 0.81 H new ATOM 478 N CYS A 32 -18.095 6.541 -1.405 1.00 0.34 N ATOM 479 CA CYS A 32 -18.211 5.927 -0.086 1.00 0.35 C ATOM 480 C CYS A 32 -17.354 6.665 0.935 1.00 0.37 C ATOM 481 O CYS A 32 -16.234 7.083 0.635 1.00 0.48 O ATOM 482 CB CYS A 32 -17.806 4.452 -0.142 1.00 0.35 C ATOM 483 SG CYS A 32 -18.139 3.534 1.397 1.00 0.46 S ATOM 0 H CYS A 32 -17.279 6.242 -1.939 1.00 0.34 H new ATOM 0 HA CYS A 32 -19.254 5.994 0.225 1.00 0.35 H new ATOM 0 HB2 CYS A 32 -18.338 3.971 -0.963 1.00 0.35 H new ATOM 0 HB3 CYS A 32 -16.742 4.386 -0.369 1.00 0.35 H new ATOM 488 N GLY A 33 -17.881 6.816 2.145 1.00 0.28 N ATOM 489 CA GLY A 33 -17.145 7.502 3.191 1.00 0.30 C ATOM 490 C GLY A 33 -16.393 6.543 4.096 1.00 0.29 C ATOM 491 O GLY A 33 -15.162 6.539 4.113 1.00 0.28 O ATOM 0 H GLY A 33 -18.803 6.477 2.420 1.00 0.28 H new ATOM 0 HA2 GLY A 33 -16.439 8.198 2.738 1.00 0.30 H new ATOM 0 HA3 GLY A 33 -17.837 8.094 3.789 1.00 0.30 H new ATOM 495 N PRO A 34 -17.113 5.711 4.865 1.00 0.34 N ATOM 496 CA PRO A 34 -16.493 4.744 5.775 1.00 0.35 C ATOM 497 C PRO A 34 -15.461 3.864 5.072 1.00 0.33 C ATOM 498 O PRO A 34 -14.540 3.343 5.701 1.00 0.33 O ATOM 499 CB PRO A 34 -17.675 3.898 6.255 1.00 0.43 C ATOM 500 CG PRO A 34 -18.858 4.792 6.115 1.00 0.52 C ATOM 501 CD PRO A 34 -18.587 5.649 4.909 1.00 0.40 C ATOM 0 HA PRO A 34 -15.948 5.236 6.580 1.00 0.35 H new ATOM 0 HB2 PRO A 34 -17.787 2.996 5.654 1.00 0.43 H new ATOM 0 HB3 PRO A 34 -17.540 3.578 7.288 1.00 0.43 H new ATOM 0 HG2 PRO A 34 -19.772 4.213 5.985 1.00 0.52 H new ATOM 0 HG3 PRO A 34 -18.993 5.404 7.007 1.00 0.52 H new ATOM 0 HD2 PRO A 34 -18.999 5.209 4.001 1.00 0.40 H new ATOM 0 HD3 PRO A 34 -19.029 6.640 5.011 1.00 0.40 H new ATOM 509 N CYS A 35 -15.621 3.706 3.761 1.00 0.33 N ATOM 510 CA CYS A 35 -14.701 2.893 2.971 1.00 0.36 C ATOM 511 C CYS A 35 -13.296 3.485 3.002 1.00 0.33 C ATOM 512 O CYS A 35 -12.306 2.761 3.127 1.00 0.35 O ATOM 513 CB CYS A 35 -15.193 2.794 1.523 1.00 0.39 C ATOM 514 SG CYS A 35 -16.818 1.992 1.338 1.00 0.50 S ATOM 0 H CYS A 35 -16.378 4.129 3.224 1.00 0.33 H new ATOM 0 HA CYS A 35 -14.667 1.894 3.406 1.00 0.36 H new ATOM 0 HB2 CYS A 35 -15.245 3.797 1.100 1.00 0.39 H new ATOM 0 HB3 CYS A 35 -14.458 2.240 0.939 1.00 0.39 H new ATOM 519 N LYS A 36 -13.218 4.809 2.893 1.00 0.32 N ATOM 520 CA LYS A 36 -11.939 5.507 2.910 1.00 0.35 C ATOM 521 C LYS A 36 -11.264 5.388 4.276 1.00 0.33 C ATOM 522 O LYS A 36 -10.052 5.556 4.398 1.00 0.42 O ATOM 523 CB LYS A 36 -12.141 6.984 2.566 1.00 0.38 C ATOM 524 CG LYS A 36 -11.930 7.304 1.095 1.00 0.55 C ATOM 525 CD LYS A 36 -12.949 8.316 0.594 1.00 0.75 C ATOM 526 CE LYS A 36 -12.432 9.741 0.720 1.00 1.77 C ATOM 527 NZ LYS A 36 -12.961 10.625 -0.355 1.00 2.37 N ATOM 0 H LYS A 36 -14.029 5.420 2.792 1.00 0.32 H new ATOM 0 HA LYS A 36 -11.294 5.043 2.164 1.00 0.35 H new ATOM 0 HB2 LYS A 36 -13.151 7.280 2.852 1.00 0.38 H new ATOM 0 HB3 LYS A 36 -11.453 7.584 3.161 1.00 0.38 H new ATOM 0 HG2 LYS A 36 -10.924 7.696 0.947 1.00 0.55 H new ATOM 0 HG3 LYS A 36 -12.005 6.389 0.508 1.00 0.55 H new ATOM 0 HD2 LYS A 36 -13.189 8.106 -0.448 1.00 0.75 H new ATOM 0 HD3 LYS A 36 -13.874 8.213 1.161 1.00 0.75 H new ATOM 0 HE2 LYS A 36 -12.715 10.144 1.692 1.00 1.77 H new ATOM 0 HE3 LYS A 36 -11.343 9.736 0.681 1.00 1.77 H new ATOM 0 HZ1 LYS A 36 -12.584 11.586 -0.231 1.00 2.37 H new ATOM 0 HZ2 LYS A 36 -12.670 10.256 -1.283 1.00 2.37 H new ATOM 0 HZ3 LYS A 36 -13.999 10.651 -0.303 1.00 2.37 H new ATOM 541 N MET A 37 -12.061 5.099 5.301 1.00 0.26 N ATOM 542 CA MET A 37 -11.544 4.964 6.657 1.00 0.27 C ATOM 543 C MET A 37 -10.760 3.667 6.839 1.00 0.24 C ATOM 544 O MET A 37 -9.877 3.586 7.694 1.00 0.23 O ATOM 545 CB MET A 37 -12.686 5.034 7.670 1.00 0.29 C ATOM 546 CG MET A 37 -13.295 6.421 7.800 1.00 0.40 C ATOM 547 SD MET A 37 -12.487 7.420 9.067 1.00 1.20 S ATOM 548 CE MET A 37 -13.872 8.376 9.677 1.00 1.53 C ATOM 0 H MET A 37 -13.067 4.954 5.217 1.00 0.26 H new ATOM 0 HA MET A 37 -10.858 5.793 6.830 1.00 0.27 H new ATOM 0 HB2 MET A 37 -13.465 4.330 7.377 1.00 0.29 H new ATOM 0 HB3 MET A 37 -12.317 4.715 8.645 1.00 0.29 H new ATOM 0 HG2 MET A 37 -13.228 6.934 6.841 1.00 0.40 H new ATOM 0 HG3 MET A 37 -14.355 6.327 8.038 1.00 0.40 H new ATOM 0 HE1 MET A 37 -13.532 9.044 10.468 1.00 1.53 H new ATOM 0 HE2 MET A 37 -14.295 8.964 8.862 1.00 1.53 H new ATOM 0 HE3 MET A 37 -14.633 7.703 10.072 1.00 1.53 H new ATOM 558 N ILE A 38 -11.075 2.652 6.035 1.00 0.25 N ATOM 559 CA ILE A 38 -10.388 1.366 6.132 1.00 0.23 C ATOM 560 C ILE A 38 -9.107 1.364 5.305 1.00 0.23 C ATOM 561 O ILE A 38 -8.183 0.596 5.577 1.00 0.22 O ATOM 562 CB ILE A 38 -11.296 0.216 5.644 1.00 0.24 C ATOM 563 CG1 ILE A 38 -12.652 0.273 6.374 1.00 0.22 C ATOM 564 CG2 ILE A 38 -10.602 -1.136 5.822 1.00 0.26 C ATOM 565 CD1 ILE A 38 -12.946 -0.910 7.277 1.00 0.21 C ATOM 0 H ILE A 38 -11.796 2.695 5.315 1.00 0.25 H new ATOM 0 HA ILE A 38 -10.140 1.214 7.183 1.00 0.23 H new ATOM 0 HB ILE A 38 -11.486 0.336 4.577 1.00 0.24 H new ATOM 0 HG12 ILE A 38 -12.688 1.184 6.971 1.00 0.22 H new ATOM 0 HG13 ILE A 38 -13.445 0.348 5.630 1.00 0.22 H new ATOM 0 HG21 ILE A 38 -11.260 -1.932 5.472 1.00 0.26 H new ATOM 0 HG22 ILE A 38 -9.677 -1.149 5.245 1.00 0.26 H new ATOM 0 HG23 ILE A 38 -10.374 -1.292 6.876 1.00 0.26 H new ATOM 0 HD11 ILE A 38 -13.921 -0.777 7.745 1.00 0.21 H new ATOM 0 HD12 ILE A 38 -12.948 -1.826 6.687 1.00 0.21 H new ATOM 0 HD13 ILE A 38 -12.180 -0.978 8.049 1.00 0.21 H new ATOM 577 N LYS A 39 -9.039 2.243 4.310 1.00 0.27 N ATOM 578 CA LYS A 39 -7.866 2.331 3.448 1.00 0.29 C ATOM 579 C LYS A 39 -6.579 2.379 4.277 1.00 0.27 C ATOM 580 O LYS A 39 -5.697 1.534 4.106 1.00 0.27 O ATOM 581 CB LYS A 39 -7.960 3.583 2.569 1.00 0.36 C ATOM 582 CG LYS A 39 -7.869 3.291 1.080 1.00 0.54 C ATOM 583 CD LYS A 39 -7.750 4.573 0.271 1.00 0.79 C ATOM 584 CE LYS A 39 -7.429 4.286 -1.186 1.00 1.30 C ATOM 585 NZ LYS A 39 -7.441 5.526 -2.011 1.00 1.69 N ATOM 0 H LYS A 39 -9.782 2.904 4.081 1.00 0.27 H new ATOM 0 HA LYS A 39 -7.837 1.442 2.818 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.903 4.090 2.774 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.161 4.271 2.845 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.007 2.654 0.884 1.00 0.54 H new ATOM 0 HG3 LYS A 39 -8.753 2.738 0.761 1.00 0.54 H new ATOM 0 HD2 LYS A 39 -8.683 5.133 0.335 1.00 0.79 H new ATOM 0 HD3 LYS A 39 -6.970 5.203 0.699 1.00 0.79 H new ATOM 0 HE2 LYS A 39 -6.450 3.813 -1.256 1.00 1.30 H new ATOM 0 HE3 LYS A 39 -8.155 3.577 -1.585 1.00 1.30 H new ATOM 0 HZ1 LYS A 39 -7.217 5.288 -2.998 1.00 1.69 H new ATOM 0 HZ2 LYS A 39 -8.383 5.964 -1.965 1.00 1.69 H new ATOM 0 HZ3 LYS A 39 -6.731 6.193 -1.646 1.00 1.69 H new ATOM 599 N PRO A 40 -6.453 3.358 5.187 1.00 0.29 N ATOM 600 CA PRO A 40 -5.263 3.495 6.033 1.00 0.30 C ATOM 601 C PRO A 40 -4.971 2.235 6.848 1.00 0.26 C ATOM 602 O PRO A 40 -3.819 1.817 6.959 1.00 0.27 O ATOM 603 CB PRO A 40 -5.594 4.674 6.959 1.00 0.35 C ATOM 604 CG PRO A 40 -7.065 4.889 6.832 1.00 0.45 C ATOM 605 CD PRO A 40 -7.444 4.411 5.459 1.00 0.33 C ATOM 0 HA PRO A 40 -4.367 3.655 5.433 1.00 0.30 H new ATOM 0 HB2 PRO A 40 -5.319 4.451 7.990 1.00 0.35 H new ATOM 0 HB3 PRO A 40 -5.041 5.567 6.668 1.00 0.35 H new ATOM 0 HG2 PRO A 40 -7.606 4.336 7.599 1.00 0.45 H new ATOM 0 HG3 PRO A 40 -7.317 5.942 6.960 1.00 0.45 H new ATOM 0 HD2 PRO A 40 -8.462 4.023 5.434 1.00 0.33 H new ATOM 0 HD3 PRO A 40 -7.391 5.214 4.724 1.00 0.33 H new ATOM 613 N PHE A 41 -6.009 1.642 7.439 1.00 0.23 N ATOM 614 CA PHE A 41 -5.830 0.450 8.271 1.00 0.24 C ATOM 615 C PHE A 41 -5.542 -0.787 7.423 1.00 0.23 C ATOM 616 O PHE A 41 -4.740 -1.638 7.811 1.00 0.25 O ATOM 617 CB PHE A 41 -7.087 0.188 9.111 1.00 0.26 C ATOM 618 CG PHE A 41 -7.585 1.382 9.877 1.00 0.26 C ATOM 619 CD1 PHE A 41 -6.741 2.080 10.725 1.00 0.35 C ATOM 620 CD2 PHE A 41 -8.897 1.804 9.745 1.00 0.24 C ATOM 621 CE1 PHE A 41 -7.200 3.176 11.430 1.00 0.38 C ATOM 622 CE2 PHE A 41 -9.361 2.899 10.447 1.00 0.27 C ATOM 623 CZ PHE A 41 -8.510 3.588 11.290 1.00 0.33 C ATOM 0 H PHE A 41 -6.974 1.963 7.359 1.00 0.23 H new ATOM 0 HA PHE A 41 -4.977 0.639 8.923 1.00 0.24 H new ATOM 0 HB2 PHE A 41 -7.882 -0.163 8.453 1.00 0.26 H new ATOM 0 HB3 PHE A 41 -6.877 -0.618 9.815 1.00 0.26 H new ATOM 0 HD1 PHE A 41 -5.714 1.764 10.836 1.00 0.35 H new ATOM 0 HD2 PHE A 41 -9.565 1.271 9.085 1.00 0.24 H new ATOM 0 HE1 PHE A 41 -6.534 3.711 12.091 1.00 0.38 H new ATOM 0 HE2 PHE A 41 -10.387 3.216 10.337 1.00 0.27 H new ATOM 0 HZ PHE A 41 -8.869 4.447 11.838 1.00 0.33 H new ATOM 633 N PHE A 42 -6.197 -0.886 6.273 1.00 0.24 N ATOM 634 CA PHE A 42 -5.997 -2.031 5.392 1.00 0.28 C ATOM 635 C PHE A 42 -4.570 -2.069 4.860 1.00 0.28 C ATOM 636 O PHE A 42 -3.947 -3.126 4.814 1.00 0.31 O ATOM 637 CB PHE A 42 -6.983 -1.999 4.226 1.00 0.33 C ATOM 638 CG PHE A 42 -7.254 -3.355 3.638 1.00 0.31 C ATOM 639 CD1 PHE A 42 -7.993 -4.292 4.343 1.00 0.42 C ATOM 640 CD2 PHE A 42 -6.774 -3.695 2.380 1.00 0.31 C ATOM 641 CE1 PHE A 42 -8.250 -5.538 3.808 1.00 0.48 C ATOM 642 CE2 PHE A 42 -7.029 -4.942 1.841 1.00 0.35 C ATOM 643 CZ PHE A 42 -7.769 -5.863 2.556 1.00 0.42 C ATOM 0 H PHE A 42 -6.865 -0.195 5.930 1.00 0.24 H new ATOM 0 HA PHE A 42 -6.175 -2.932 5.979 1.00 0.28 H new ATOM 0 HB2 PHE A 42 -7.923 -1.564 4.566 1.00 0.33 H new ATOM 0 HB3 PHE A 42 -6.592 -1.345 3.447 1.00 0.33 H new ATOM 0 HD1 PHE A 42 -8.372 -4.044 5.323 1.00 0.42 H new ATOM 0 HD2 PHE A 42 -6.195 -2.978 1.817 1.00 0.31 H new ATOM 0 HE1 PHE A 42 -8.827 -6.258 4.369 1.00 0.48 H new ATOM 0 HE2 PHE A 42 -6.650 -5.196 0.862 1.00 0.35 H new ATOM 0 HZ PHE A 42 -7.971 -6.837 2.136 1.00 0.42 H new ATOM 653 N HIS A 43 -4.057 -0.914 4.453 1.00 0.28 N ATOM 654 CA HIS A 43 -2.706 -0.844 3.922 1.00 0.33 C ATOM 655 C HIS A 43 -1.675 -1.158 5.001 1.00 0.29 C ATOM 656 O HIS A 43 -0.665 -1.804 4.731 1.00 0.30 O ATOM 657 CB HIS A 43 -2.430 0.526 3.303 1.00 0.41 C ATOM 658 CG HIS A 43 -1.701 0.436 1.998 1.00 0.46 C ATOM 659 ND1 HIS A 43 -2.050 1.143 0.870 1.00 0.99 N ATOM 660 CD2 HIS A 43 -0.628 -0.319 1.651 1.00 0.37 C ATOM 661 CE1 HIS A 43 -1.199 0.800 -0.108 1.00 1.02 C ATOM 662 NE2 HIS A 43 -0.316 -0.083 0.315 1.00 0.60 N ATOM 0 H HIS A 43 -4.552 -0.023 4.481 1.00 0.28 H new ATOM 0 HA HIS A 43 -2.620 -1.597 3.139 1.00 0.33 H new ATOM 0 HB2 HIS A 43 -3.375 1.048 3.151 1.00 0.41 H new ATOM 0 HB3 HIS A 43 -1.844 1.124 4.001 1.00 0.41 H new ATOM 0 HD2 HIS A 43 -0.100 -0.995 2.307 1.00 0.37 H new ATOM 0 HE1 HIS A 43 -1.233 1.196 -1.112 1.00 1.02 H new ATOM 0 HE2 HIS A 43 0.439 -0.506 -0.225 1.00 0.60 H new ATOM 670 N SER A 44 -1.923 -0.697 6.227 1.00 0.26 N ATOM 671 CA SER A 44 -0.997 -0.940 7.329 1.00 0.27 C ATOM 672 C SER A 44 -0.824 -2.432 7.577 1.00 0.25 C ATOM 673 O SER A 44 0.296 -2.917 7.736 1.00 0.27 O ATOM 674 CB SER A 44 -1.502 -0.256 8.601 1.00 0.30 C ATOM 675 OG SER A 44 -0.424 0.179 9.409 1.00 1.10 O ATOM 0 H SER A 44 -2.751 -0.158 6.479 1.00 0.26 H new ATOM 0 HA SER A 44 -0.028 -0.522 7.056 1.00 0.27 H new ATOM 0 HB2 SER A 44 -2.128 0.596 8.335 1.00 0.30 H new ATOM 0 HB3 SER A 44 -2.128 -0.948 9.165 1.00 0.30 H new ATOM 0 HG SER A 44 -0.774 0.614 10.214 1.00 1.10 H new ATOM 681 N LEU A 45 -1.937 -3.163 7.606 1.00 0.24 N ATOM 682 CA LEU A 45 -1.886 -4.602 7.834 1.00 0.26 C ATOM 683 C LEU A 45 -1.045 -5.269 6.752 1.00 0.26 C ATOM 684 O LEU A 45 -0.262 -6.177 7.031 1.00 0.26 O ATOM 685 CB LEU A 45 -3.299 -5.196 7.840 1.00 0.29 C ATOM 686 CG LEU A 45 -4.174 -4.788 9.028 1.00 0.34 C ATOM 687 CD1 LEU A 45 -5.648 -4.908 8.670 1.00 0.45 C ATOM 688 CD2 LEU A 45 -3.851 -5.639 10.247 1.00 0.37 C ATOM 0 H LEU A 45 -2.875 -2.785 7.476 1.00 0.24 H new ATOM 0 HA LEU A 45 -1.429 -4.785 8.807 1.00 0.26 H new ATOM 0 HB2 LEU A 45 -3.803 -4.901 6.920 1.00 0.29 H new ATOM 0 HB3 LEU A 45 -3.219 -6.283 7.825 1.00 0.29 H new ATOM 0 HG LEU A 45 -3.961 -3.747 9.270 1.00 0.34 H new ATOM 0 HD11 LEU A 45 -6.255 -4.614 9.526 1.00 0.45 H new ATOM 0 HD12 LEU A 45 -5.872 -4.256 7.825 1.00 0.45 H new ATOM 0 HD13 LEU A 45 -5.874 -5.940 8.402 1.00 0.45 H new ATOM 0 HD21 LEU A 45 -4.483 -5.334 11.081 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.035 -6.689 10.017 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.804 -5.505 10.517 1.00 0.37 H new ATOM 700 N SER A 46 -1.201 -4.798 5.519 1.00 0.28 N ATOM 701 CA SER A 46 -0.449 -5.329 4.390 1.00 0.29 C ATOM 702 C SER A 46 1.051 -5.268 4.655 1.00 0.29 C ATOM 703 O SER A 46 1.810 -6.107 4.166 1.00 0.32 O ATOM 704 CB SER A 46 -0.780 -4.551 3.117 1.00 0.31 C ATOM 705 OG SER A 46 -0.117 -5.105 1.993 1.00 1.30 O ATOM 0 H SER A 46 -1.845 -4.045 5.277 1.00 0.28 H new ATOM 0 HA SER A 46 -0.736 -6.372 4.258 1.00 0.29 H new ATOM 0 HB2 SER A 46 -1.857 -4.562 2.950 1.00 0.31 H new ATOM 0 HB3 SER A 46 -0.487 -3.508 3.238 1.00 0.31 H new ATOM 0 HG SER A 46 0.343 -4.393 1.501 1.00 1.30 H new ATOM 711 N GLU A 47 1.475 -4.292 5.455 1.00 0.28 N ATOM 712 CA GLU A 47 2.884 -4.149 5.806 1.00 0.30 C ATOM 713 C GLU A 47 3.204 -4.994 7.034 1.00 0.31 C ATOM 714 O GLU A 47 4.360 -5.339 7.282 1.00 0.35 O ATOM 715 CB GLU A 47 3.213 -2.678 6.080 1.00 0.29 C ATOM 716 CG GLU A 47 4.605 -2.269 5.624 1.00 0.95 C ATOM 717 CD GLU A 47 4.654 -0.849 5.093 1.00 1.54 C ATOM 718 OE1 GLU A 47 4.374 -0.653 3.890 1.00 2.01 O ATOM 719 OE2 GLU A 47 4.970 0.069 5.880 1.00 2.39 O ATOM 0 H GLU A 47 0.863 -3.590 5.871 1.00 0.28 H new ATOM 0 HA GLU A 47 3.492 -4.495 4.970 1.00 0.30 H new ATOM 0 HB2 GLU A 47 2.477 -2.050 5.578 1.00 0.29 H new ATOM 0 HB3 GLU A 47 3.119 -2.487 7.149 1.00 0.29 H new ATOM 0 HG2 GLU A 47 5.299 -2.364 6.459 1.00 0.95 H new ATOM 0 HG3 GLU A 47 4.945 -2.955 4.848 1.00 0.95 H new ATOM 726 N LYS A 48 2.163 -5.329 7.792 1.00 0.30 N ATOM 727 CA LYS A 48 2.309 -6.143 8.992 1.00 0.31 C ATOM 728 C LYS A 48 1.960 -7.605 8.700 1.00 0.29 C ATOM 729 O LYS A 48 1.887 -8.427 9.614 1.00 0.30 O ATOM 730 CB LYS A 48 1.411 -5.600 10.107 1.00 0.35 C ATOM 731 CG LYS A 48 1.885 -5.971 11.502 1.00 0.94 C ATOM 732 CD LYS A 48 0.778 -5.804 12.528 1.00 1.12 C ATOM 733 CE LYS A 48 0.113 -7.131 12.848 1.00 1.23 C ATOM 734 NZ LYS A 48 0.635 -7.725 14.110 1.00 1.92 N ATOM 0 H LYS A 48 1.203 -5.046 7.593 1.00 0.30 H new ATOM 0 HA LYS A 48 3.348 -6.096 9.317 1.00 0.31 H new ATOM 0 HB2 LYS A 48 1.361 -4.514 10.026 1.00 0.35 H new ATOM 0 HB3 LYS A 48 0.399 -5.978 9.964 1.00 0.35 H new ATOM 0 HG2 LYS A 48 2.234 -7.004 11.506 1.00 0.94 H new ATOM 0 HG3 LYS A 48 2.735 -5.346 11.777 1.00 0.94 H new ATOM 0 HD2 LYS A 48 1.188 -5.372 13.441 1.00 1.12 H new ATOM 0 HD3 LYS A 48 0.033 -5.104 12.151 1.00 1.12 H new ATOM 0 HE2 LYS A 48 -0.964 -6.986 12.934 1.00 1.23 H new ATOM 0 HE3 LYS A 48 0.276 -7.827 12.025 1.00 1.23 H new ATOM 0 HZ1 LYS A 48 0.155 -8.630 14.292 1.00 1.92 H new ATOM 0 HZ2 LYS A 48 1.658 -7.888 14.020 1.00 1.92 H new ATOM 0 HZ3 LYS A 48 0.456 -7.073 14.900 1.00 1.92 H new ATOM 748 N TYR A 49 1.767 -7.922 7.416 1.00 0.28 N ATOM 749 CA TYR A 49 1.452 -9.283 6.989 1.00 0.32 C ATOM 750 C TYR A 49 2.388 -9.702 5.856 1.00 0.36 C ATOM 751 O TYR A 49 2.277 -9.204 4.735 1.00 0.88 O ATOM 752 CB TYR A 49 -0.004 -9.391 6.528 1.00 0.37 C ATOM 753 CG TYR A 49 -0.972 -9.708 7.644 1.00 0.32 C ATOM 754 CD1 TYR A 49 -1.369 -8.736 8.553 1.00 0.29 C ATOM 755 CD2 TYR A 49 -1.482 -10.990 7.788 1.00 0.33 C ATOM 756 CE1 TYR A 49 -2.251 -9.036 9.577 1.00 0.28 C ATOM 757 CE2 TYR A 49 -2.362 -11.299 8.807 1.00 0.30 C ATOM 758 CZ TYR A 49 -2.744 -10.319 9.700 1.00 0.26 C ATOM 759 OH TYR A 49 -3.621 -10.622 10.715 1.00 0.27 O ATOM 0 H TYR A 49 1.825 -7.248 6.653 1.00 0.28 H new ATOM 0 HA TYR A 49 1.591 -9.949 7.840 1.00 0.32 H new ATOM 0 HB2 TYR A 49 -0.298 -8.452 6.059 1.00 0.37 H new ATOM 0 HB3 TYR A 49 -0.078 -10.165 5.764 1.00 0.37 H new ATOM 0 HD1 TYR A 49 -0.984 -7.731 8.460 1.00 0.29 H new ATOM 0 HD2 TYR A 49 -1.186 -11.760 7.091 1.00 0.33 H new ATOM 0 HE1 TYR A 49 -2.552 -8.270 10.276 1.00 0.28 H new ATOM 0 HE2 TYR A 49 -2.749 -12.303 8.904 1.00 0.30 H new ATOM 0 HH TYR A 49 -3.872 -11.568 10.659 1.00 0.27 H new ATOM 769 N SER A 50 3.319 -10.602 6.156 1.00 0.57 N ATOM 770 CA SER A 50 4.288 -11.065 5.164 1.00 0.56 C ATOM 771 C SER A 50 3.894 -12.409 4.561 1.00 0.64 C ATOM 772 O SER A 50 4.727 -13.310 4.444 1.00 1.23 O ATOM 773 CB SER A 50 5.672 -11.180 5.804 1.00 0.89 C ATOM 774 OG SER A 50 6.213 -9.897 6.073 1.00 1.52 O ATOM 0 H SER A 50 3.424 -11.026 7.078 1.00 0.57 H new ATOM 0 HA SER A 50 4.306 -10.331 4.359 1.00 0.56 H new ATOM 0 HB2 SER A 50 5.603 -11.751 6.730 1.00 0.89 H new ATOM 0 HB3 SER A 50 6.340 -11.729 5.140 1.00 0.89 H new ATOM 0 HG SER A 50 7.097 -9.994 6.484 1.00 1.52 H new ATOM 780 N ASN A 51 2.639 -12.546 4.159 1.00 0.62 N ATOM 781 CA ASN A 51 2.177 -13.786 3.540 1.00 0.57 C ATOM 782 C ASN A 51 0.923 -13.556 2.702 1.00 0.50 C ATOM 783 O ASN A 51 0.713 -14.222 1.692 1.00 0.94 O ATOM 784 CB ASN A 51 1.913 -14.868 4.587 1.00 0.78 C ATOM 785 CG ASN A 51 2.255 -16.254 4.064 1.00 0.92 C ATOM 786 OD1 ASN A 51 3.012 -16.393 3.104 1.00 1.17 O ATOM 787 ND2 ASN A 51 1.696 -17.287 4.686 1.00 1.30 N ATOM 0 H ASN A 51 1.926 -11.823 4.248 1.00 0.62 H new ATOM 0 HA ASN A 51 2.975 -14.129 2.882 1.00 0.57 H new ATOM 0 HB2 ASN A 51 2.502 -14.661 5.480 1.00 0.78 H new ATOM 0 HB3 ASN A 51 0.864 -14.840 4.883 1.00 0.78 H new ATOM 0 HD21 ASN A 51 1.889 -18.238 4.371 1.00 1.30 H new ATOM 0 HD22 ASN A 51 1.074 -17.129 5.479 1.00 1.30 H new ATOM 794 N VAL A 52 0.080 -12.631 3.146 1.00 0.32 N ATOM 795 CA VAL A 52 -1.170 -12.331 2.459 1.00 0.24 C ATOM 796 C VAL A 52 -1.017 -11.188 1.458 1.00 0.23 C ATOM 797 O VAL A 52 -0.189 -10.296 1.639 1.00 0.24 O ATOM 798 CB VAL A 52 -2.261 -11.948 3.474 1.00 0.26 C ATOM 799 CG1 VAL A 52 -2.330 -12.959 4.604 1.00 0.25 C ATOM 800 CG2 VAL A 52 -2.004 -10.557 4.018 1.00 0.34 C ATOM 0 H VAL A 52 0.241 -12.073 3.984 1.00 0.32 H new ATOM 0 HA VAL A 52 -1.453 -13.233 1.917 1.00 0.24 H new ATOM 0 HB VAL A 52 -3.223 -11.951 2.962 1.00 0.26 H new ATOM 0 HG11 VAL A 52 -3.109 -12.665 5.308 1.00 0.25 H new ATOM 0 HG12 VAL A 52 -2.561 -13.944 4.198 1.00 0.25 H new ATOM 0 HG13 VAL A 52 -1.370 -12.995 5.119 1.00 0.25 H new ATOM 0 HG21 VAL A 52 -2.783 -10.297 4.735 1.00 0.34 H new ATOM 0 HG22 VAL A 52 -1.033 -10.533 4.512 1.00 0.34 H new ATOM 0 HG23 VAL A 52 -2.011 -9.839 3.198 1.00 0.34 H new ATOM 810 N ILE A 53 -1.831 -11.217 0.404 1.00 0.23 N ATOM 811 CA ILE A 53 -1.796 -10.184 -0.623 1.00 0.24 C ATOM 812 C ILE A 53 -2.938 -9.189 -0.418 1.00 0.22 C ATOM 813 O ILE A 53 -4.113 -9.559 -0.441 1.00 0.24 O ATOM 814 CB ILE A 53 -1.880 -10.825 -2.040 1.00 0.34 C ATOM 815 CG1 ILE A 53 -0.948 -10.115 -3.021 1.00 0.55 C ATOM 816 CG2 ILE A 53 -3.306 -10.824 -2.571 1.00 0.59 C ATOM 817 CD1 ILE A 53 0.495 -10.549 -2.891 1.00 1.00 C ATOM 0 H ILE A 53 -2.524 -11.948 0.241 1.00 0.23 H new ATOM 0 HA ILE A 53 -0.851 -9.646 -0.542 1.00 0.24 H new ATOM 0 HB ILE A 53 -1.557 -11.862 -1.944 1.00 0.34 H new ATOM 0 HG12 ILE A 53 -1.288 -10.306 -4.039 1.00 0.55 H new ATOM 0 HG13 ILE A 53 -1.013 -9.039 -2.860 1.00 0.55 H new ATOM 0 HG21 ILE A 53 -3.326 -11.279 -3.561 1.00 0.59 H new ATOM 0 HG22 ILE A 53 -3.946 -11.394 -1.897 1.00 0.59 H new ATOM 0 HG23 ILE A 53 -3.670 -9.798 -2.635 1.00 0.59 H new ATOM 0 HD11 ILE A 53 1.104 -10.008 -3.615 1.00 1.00 H new ATOM 0 HD12 ILE A 53 0.851 -10.333 -1.884 1.00 1.00 H new ATOM 0 HD13 ILE A 53 0.571 -11.620 -3.081 1.00 1.00 H new ATOM 829 N PHE A 54 -2.581 -7.927 -0.211 1.00 0.21 N ATOM 830 CA PHE A 54 -3.573 -6.881 0.001 1.00 0.22 C ATOM 831 C PHE A 54 -3.772 -6.066 -1.249 1.00 0.22 C ATOM 832 O PHE A 54 -2.830 -5.496 -1.775 1.00 0.22 O ATOM 833 CB PHE A 54 -3.144 -5.909 1.096 1.00 0.21 C ATOM 834 CG PHE A 54 -3.559 -6.308 2.479 1.00 0.19 C ATOM 835 CD1 PHE A 54 -3.346 -7.590 2.951 1.00 0.35 C ATOM 836 CD2 PHE A 54 -4.182 -5.389 3.305 1.00 0.27 C ATOM 837 CE1 PHE A 54 -3.747 -7.945 4.230 1.00 0.37 C ATOM 838 CE2 PHE A 54 -4.581 -5.737 4.578 1.00 0.35 C ATOM 839 CZ PHE A 54 -4.364 -7.018 5.042 1.00 0.31 C ATOM 0 H PHE A 54 -1.614 -7.604 -0.186 1.00 0.21 H new ATOM 0 HA PHE A 54 -4.493 -7.391 0.287 1.00 0.22 H new ATOM 0 HB2 PHE A 54 -2.059 -5.809 1.071 1.00 0.21 H new ATOM 0 HB3 PHE A 54 -3.560 -4.926 0.875 1.00 0.21 H new ATOM 0 HD1 PHE A 54 -2.864 -8.321 2.319 1.00 0.35 H new ATOM 0 HD2 PHE A 54 -4.358 -4.385 2.947 1.00 0.27 H new ATOM 0 HE1 PHE A 54 -3.576 -8.949 4.590 1.00 0.37 H new ATOM 0 HE2 PHE A 54 -5.063 -5.007 5.212 1.00 0.35 H new ATOM 0 HZ PHE A 54 -4.677 -7.293 6.038 1.00 0.31 H new ATOM 849 N LEU A 55 -4.998 -5.978 -1.705 1.00 0.23 N ATOM 850 CA LEU A 55 -5.279 -5.181 -2.869 1.00 0.23 C ATOM 851 C LEU A 55 -6.577 -4.419 -2.693 1.00 0.22 C ATOM 852 O LEU A 55 -7.347 -4.688 -1.773 1.00 0.21 O ATOM 853 CB LEU A 55 -5.295 -6.037 -4.126 1.00 0.24 C ATOM 854 CG LEU A 55 -6.630 -6.631 -4.501 1.00 0.22 C ATOM 855 CD1 LEU A 55 -7.433 -5.604 -5.262 1.00 0.22 C ATOM 856 CD2 LEU A 55 -6.427 -7.900 -5.317 1.00 0.30 C ATOM 0 H LEU A 55 -5.807 -6.443 -1.292 1.00 0.23 H new ATOM 0 HA LEU A 55 -4.479 -4.450 -2.987 1.00 0.23 H new ATOM 0 HB2 LEU A 55 -4.942 -5.430 -4.960 1.00 0.24 H new ATOM 0 HB3 LEU A 55 -4.580 -6.850 -3.998 1.00 0.24 H new ATOM 0 HG LEU A 55 -7.182 -6.904 -3.602 1.00 0.22 H new ATOM 0 HD11 LEU A 55 -8.399 -6.028 -5.536 1.00 0.22 H new ATOM 0 HD12 LEU A 55 -7.586 -4.725 -4.636 1.00 0.22 H new ATOM 0 HD13 LEU A 55 -6.894 -5.317 -6.165 1.00 0.22 H new ATOM 0 HD21 LEU A 55 -7.397 -8.321 -5.583 1.00 0.30 H new ATOM 0 HD22 LEU A 55 -5.873 -7.664 -6.225 1.00 0.30 H new ATOM 0 HD23 LEU A 55 -5.866 -8.625 -4.728 1.00 0.30 H new ATOM 868 N GLU A 56 -6.815 -3.466 -3.572 1.00 0.22 N ATOM 869 CA GLU A 56 -8.020 -2.660 -3.489 1.00 0.22 C ATOM 870 C GLU A 56 -8.849 -2.736 -4.749 1.00 0.19 C ATOM 871 O GLU A 56 -8.359 -2.491 -5.846 1.00 0.18 O ATOM 872 CB GLU A 56 -7.648 -1.213 -3.260 1.00 0.27 C ATOM 873 CG GLU A 56 -8.772 -0.381 -2.663 1.00 0.35 C ATOM 874 CD GLU A 56 -8.277 0.651 -1.669 1.00 1.26 C ATOM 875 OE1 GLU A 56 -7.256 1.310 -1.955 1.00 2.00 O ATOM 876 OE2 GLU A 56 -8.915 0.803 -0.606 1.00 2.05 O ATOM 0 H GLU A 56 -6.196 -3.231 -4.348 1.00 0.22 H new ATOM 0 HA GLU A 56 -8.610 -3.054 -2.661 1.00 0.22 H new ATOM 0 HB2 GLU A 56 -6.784 -1.170 -2.597 1.00 0.27 H new ATOM 0 HB3 GLU A 56 -7.344 -0.770 -4.209 1.00 0.27 H new ATOM 0 HG2 GLU A 56 -9.310 0.124 -3.466 1.00 0.35 H new ATOM 0 HG3 GLU A 56 -9.484 -1.042 -2.169 1.00 0.35 H new ATOM 883 N VAL A 57 -10.112 -3.074 -4.583 1.00 0.18 N ATOM 884 CA VAL A 57 -11.009 -3.169 -5.713 1.00 0.16 C ATOM 885 C VAL A 57 -12.118 -2.133 -5.629 1.00 0.18 C ATOM 886 O VAL A 57 -12.908 -2.122 -4.687 1.00 0.20 O ATOM 887 CB VAL A 57 -11.650 -4.557 -5.820 1.00 0.16 C ATOM 888 CG1 VAL A 57 -12.243 -4.716 -7.196 1.00 0.17 C ATOM 889 CG2 VAL A 57 -10.643 -5.662 -5.546 1.00 0.16 C ATOM 0 H VAL A 57 -10.537 -3.286 -3.680 1.00 0.18 H new ATOM 0 HA VAL A 57 -10.400 -2.986 -6.598 1.00 0.16 H new ATOM 0 HB VAL A 57 -12.432 -4.640 -5.065 1.00 0.16 H new ATOM 0 HG11 VAL A 57 -12.702 -5.701 -7.283 1.00 0.17 H new ATOM 0 HG12 VAL A 57 -12.999 -3.948 -7.357 1.00 0.17 H new ATOM 0 HG13 VAL A 57 -11.457 -4.615 -7.945 1.00 0.17 H new ATOM 0 HG21 VAL A 57 -11.134 -6.631 -5.631 1.00 0.16 H new ATOM 0 HG22 VAL A 57 -9.831 -5.602 -6.271 1.00 0.16 H new ATOM 0 HG23 VAL A 57 -10.241 -5.546 -4.540 1.00 0.16 H new ATOM 899 N ASP A 58 -12.175 -1.259 -6.622 1.00 0.19 N ATOM 900 CA ASP A 58 -13.194 -0.226 -6.665 1.00 0.21 C ATOM 901 C ASP A 58 -14.368 -0.713 -7.502 1.00 0.21 C ATOM 902 O ASP A 58 -14.230 -0.960 -8.702 1.00 0.21 O ATOM 903 CB ASP A 58 -12.615 1.065 -7.255 1.00 0.24 C ATOM 904 CG ASP A 58 -13.660 2.153 -7.426 1.00 0.87 C ATOM 905 OD1 ASP A 58 -14.631 2.179 -6.640 1.00 1.79 O ATOM 906 OD2 ASP A 58 -13.503 2.986 -8.343 1.00 1.32 O ATOM 0 H ASP A 58 -11.526 -1.246 -7.409 1.00 0.19 H new ATOM 0 HA ASP A 58 -13.539 -0.014 -5.653 1.00 0.21 H new ATOM 0 HB2 ASP A 58 -11.819 1.431 -6.606 1.00 0.24 H new ATOM 0 HB3 ASP A 58 -12.163 0.846 -8.222 1.00 0.24 H new ATOM 911 N VAL A 59 -15.522 -0.871 -6.863 1.00 0.22 N ATOM 912 CA VAL A 59 -16.708 -1.358 -7.553 1.00 0.23 C ATOM 913 C VAL A 59 -17.083 -0.456 -8.725 1.00 0.24 C ATOM 914 O VAL A 59 -17.814 -0.870 -9.627 1.00 0.26 O ATOM 915 CB VAL A 59 -17.904 -1.495 -6.589 1.00 0.24 C ATOM 916 CG1 VAL A 59 -18.368 -0.131 -6.099 1.00 0.27 C ATOM 917 CG2 VAL A 59 -19.047 -2.251 -7.256 1.00 0.25 C ATOM 0 H VAL A 59 -15.660 -0.670 -5.873 1.00 0.22 H new ATOM 0 HA VAL A 59 -16.464 -2.346 -7.944 1.00 0.23 H new ATOM 0 HB VAL A 59 -17.577 -2.068 -5.721 1.00 0.24 H new ATOM 0 HG11 VAL A 59 -19.212 -0.256 -5.421 1.00 0.27 H new ATOM 0 HG12 VAL A 59 -17.551 0.364 -5.574 1.00 0.27 H new ATOM 0 HG13 VAL A 59 -18.674 0.477 -6.951 1.00 0.27 H new ATOM 0 HG21 VAL A 59 -19.881 -2.337 -6.560 1.00 0.25 H new ATOM 0 HG22 VAL A 59 -19.371 -1.710 -8.145 1.00 0.25 H new ATOM 0 HG23 VAL A 59 -18.707 -3.247 -7.541 1.00 0.25 H new ATOM 927 N ASP A 60 -16.581 0.772 -8.717 1.00 0.25 N ATOM 928 CA ASP A 60 -16.863 1.705 -9.797 1.00 0.27 C ATOM 929 C ASP A 60 -16.248 1.196 -11.096 1.00 0.26 C ATOM 930 O ASP A 60 -16.845 1.313 -12.168 1.00 0.28 O ATOM 931 CB ASP A 60 -16.311 3.090 -9.459 1.00 0.31 C ATOM 932 CG ASP A 60 -17.353 4.181 -9.595 1.00 0.37 C ATOM 933 OD1 ASP A 60 -18.214 4.295 -8.697 1.00 1.11 O ATOM 934 OD2 ASP A 60 -17.312 4.919 -10.602 1.00 1.14 O ATOM 0 H ASP A 60 -15.981 1.142 -7.980 1.00 0.25 H new ATOM 0 HA ASP A 60 -17.943 1.783 -9.923 1.00 0.27 H new ATOM 0 HB2 ASP A 60 -15.927 3.085 -8.439 1.00 0.31 H new ATOM 0 HB3 ASP A 60 -15.470 3.312 -10.116 1.00 0.31 H new ATOM 939 N ASP A 61 -15.053 0.621 -10.987 1.00 0.25 N ATOM 940 CA ASP A 61 -14.350 0.081 -12.147 1.00 0.26 C ATOM 941 C ASP A 61 -14.529 -1.427 -12.230 1.00 0.24 C ATOM 942 O ASP A 61 -14.772 -1.977 -13.305 1.00 0.28 O ATOM 943 CB ASP A 61 -12.863 0.417 -12.078 1.00 0.28 C ATOM 944 CG ASP A 61 -12.597 1.895 -12.278 1.00 0.40 C ATOM 945 OD1 ASP A 61 -12.933 2.686 -11.372 1.00 1.08 O ATOM 946 OD2 ASP A 61 -12.055 2.260 -13.341 1.00 1.29 O ATOM 0 H ASP A 61 -14.551 0.517 -10.105 1.00 0.25 H new ATOM 0 HA ASP A 61 -14.777 0.538 -13.040 1.00 0.26 H new ATOM 0 HB2 ASP A 61 -12.467 0.107 -11.111 1.00 0.28 H new ATOM 0 HB3 ASP A 61 -12.329 -0.152 -12.839 1.00 0.28 H new ATOM 951 N ALA A 62 -14.404 -2.092 -11.085 1.00 0.22 N ATOM 952 CA ALA A 62 -14.552 -3.534 -11.022 1.00 0.21 C ATOM 953 C ALA A 62 -16.013 -3.926 -10.852 1.00 0.24 C ATOM 954 O ALA A 62 -16.350 -4.759 -10.014 1.00 0.23 O ATOM 955 CB ALA A 62 -13.713 -4.110 -9.889 1.00 0.22 C ATOM 0 H ALA A 62 -14.200 -1.650 -10.189 1.00 0.22 H new ATOM 0 HA ALA A 62 -14.196 -3.950 -11.965 1.00 0.21 H new ATOM 0 HB1 ALA A 62 -13.837 -5.192 -9.858 1.00 0.22 H new ATOM 0 HB2 ALA A 62 -12.663 -3.870 -10.056 1.00 0.22 H new ATOM 0 HB3 ALA A 62 -14.037 -3.680 -8.941 1.00 0.22 H new ATOM 961 N GLN A 63 -16.882 -3.320 -11.649 1.00 0.31 N ATOM 962 CA GLN A 63 -18.300 -3.621 -11.571 1.00 0.36 C ATOM 963 C GLN A 63 -18.600 -4.971 -12.201 1.00 0.34 C ATOM 964 O GLN A 63 -19.690 -5.505 -12.044 1.00 0.39 O ATOM 965 CB GLN A 63 -19.139 -2.539 -12.249 1.00 0.43 C ATOM 966 CG GLN A 63 -20.519 -2.383 -11.627 1.00 0.72 C ATOM 967 CD GLN A 63 -21.437 -1.498 -12.441 1.00 1.19 C ATOM 968 OE1 GLN A 63 -20.996 -0.766 -13.324 1.00 2.03 O ATOM 969 NE2 GLN A 63 -22.731 -1.558 -12.144 1.00 1.69 N ATOM 0 H GLN A 63 -16.631 -2.623 -12.350 1.00 0.31 H new ATOM 0 HA GLN A 63 -18.567 -3.652 -10.515 1.00 0.36 H new ATOM 0 HB2 GLN A 63 -18.611 -1.587 -12.192 1.00 0.43 H new ATOM 0 HB3 GLN A 63 -19.248 -2.780 -13.306 1.00 0.43 H new ATOM 0 HG2 GLN A 63 -20.975 -3.367 -11.517 1.00 0.72 H new ATOM 0 HG3 GLN A 63 -20.415 -1.966 -10.625 1.00 0.72 H new ATOM 0 HE21 GLN A 63 -23.056 -2.179 -11.403 1.00 1.69 H new ATOM 0 HE22 GLN A 63 -23.399 -0.983 -12.657 1.00 1.69 H new ATOM 978 N ASP A 64 -17.628 -5.524 -12.921 1.00 0.29 N ATOM 979 CA ASP A 64 -17.808 -6.817 -13.557 1.00 0.29 C ATOM 980 C ASP A 64 -17.522 -7.941 -12.562 1.00 0.24 C ATOM 981 O ASP A 64 -18.005 -9.061 -12.722 1.00 0.23 O ATOM 982 CB ASP A 64 -16.890 -6.943 -14.777 1.00 0.31 C ATOM 983 CG ASP A 64 -17.554 -6.472 -16.058 1.00 0.63 C ATOM 984 OD1 ASP A 64 -18.469 -7.166 -16.544 1.00 1.28 O ATOM 985 OD2 ASP A 64 -17.156 -5.404 -16.573 1.00 1.29 O ATOM 0 H ASP A 64 -16.715 -5.097 -13.076 1.00 0.29 H new ATOM 0 HA ASP A 64 -18.843 -6.900 -13.890 1.00 0.29 H new ATOM 0 HB2 ASP A 64 -15.984 -6.362 -14.607 1.00 0.31 H new ATOM 0 HB3 ASP A 64 -16.585 -7.983 -14.892 1.00 0.31 H new ATOM 990 N VAL A 65 -16.733 -7.633 -11.532 1.00 0.21 N ATOM 991 CA VAL A 65 -16.383 -8.618 -10.512 1.00 0.18 C ATOM 992 C VAL A 65 -17.466 -8.739 -9.433 1.00 0.19 C ATOM 993 O VAL A 65 -17.865 -9.846 -9.074 1.00 0.19 O ATOM 994 CB VAL A 65 -15.003 -8.311 -9.872 1.00 0.16 C ATOM 995 CG1 VAL A 65 -13.963 -8.112 -10.959 1.00 0.15 C ATOM 996 CG2 VAL A 65 -15.056 -7.090 -8.972 1.00 0.18 C ATOM 0 H VAL A 65 -16.325 -6.710 -11.383 1.00 0.21 H new ATOM 0 HA VAL A 65 -16.314 -9.581 -11.019 1.00 0.18 H new ATOM 0 HB VAL A 65 -14.727 -9.164 -9.252 1.00 0.16 H new ATOM 0 HG11 VAL A 65 -12.997 -7.897 -10.503 1.00 0.15 H new ATOM 0 HG12 VAL A 65 -13.887 -9.018 -11.560 1.00 0.15 H new ATOM 0 HG13 VAL A 65 -14.257 -7.278 -11.596 1.00 0.15 H new ATOM 0 HG21 VAL A 65 -14.070 -6.910 -8.544 1.00 0.18 H new ATOM 0 HG22 VAL A 65 -15.363 -6.221 -9.555 1.00 0.18 H new ATOM 0 HG23 VAL A 65 -15.774 -7.260 -8.170 1.00 0.18 H new ATOM 1006 N ALA A 66 -17.913 -7.604 -8.889 1.00 0.21 N ATOM 1007 CA ALA A 66 -18.914 -7.588 -7.817 1.00 0.24 C ATOM 1008 C ALA A 66 -20.143 -8.446 -8.117 1.00 0.26 C ATOM 1009 O ALA A 66 -20.514 -9.309 -7.319 1.00 0.27 O ATOM 1010 CB ALA A 66 -19.349 -6.150 -7.565 1.00 0.28 C ATOM 0 H ALA A 66 -17.595 -6.678 -9.175 1.00 0.21 H new ATOM 0 HA ALA A 66 -18.442 -8.019 -6.934 1.00 0.24 H new ATOM 0 HB1 ALA A 66 -20.093 -6.129 -6.769 1.00 0.28 H new ATOM 0 HB2 ALA A 66 -18.485 -5.555 -7.269 1.00 0.28 H new ATOM 0 HB3 ALA A 66 -19.780 -5.735 -8.476 1.00 0.28 H new ATOM 1016 N PRO A 67 -20.798 -8.212 -9.259 1.00 0.27 N ATOM 1017 CA PRO A 67 -22.000 -8.955 -9.657 1.00 0.29 C ATOM 1018 C PRO A 67 -21.773 -10.459 -9.673 1.00 0.27 C ATOM 1019 O PRO A 67 -22.700 -11.241 -9.466 1.00 0.29 O ATOM 1020 CB PRO A 67 -22.292 -8.433 -11.066 1.00 0.30 C ATOM 1021 CG PRO A 67 -21.663 -7.086 -11.095 1.00 0.41 C ATOM 1022 CD PRO A 67 -20.427 -7.200 -10.257 1.00 0.28 C ATOM 0 HA PRO A 67 -22.823 -8.805 -8.958 1.00 0.29 H new ATOM 0 HB2 PRO A 67 -21.868 -9.087 -11.828 1.00 0.30 H new ATOM 0 HB3 PRO A 67 -23.364 -8.376 -11.255 1.00 0.30 H new ATOM 0 HG2 PRO A 67 -21.419 -6.789 -12.115 1.00 0.41 H new ATOM 0 HG3 PRO A 67 -22.339 -6.329 -10.696 1.00 0.41 H new ATOM 0 HD2 PRO A 67 -19.566 -7.512 -10.848 1.00 0.28 H new ATOM 0 HD3 PRO A 67 -20.166 -6.250 -9.791 1.00 0.28 H new ATOM 1030 N LYS A 68 -20.526 -10.856 -9.898 1.00 0.23 N ATOM 1031 CA LYS A 68 -20.168 -12.265 -9.920 1.00 0.22 C ATOM 1032 C LYS A 68 -20.080 -12.835 -8.505 1.00 0.25 C ATOM 1033 O LYS A 68 -20.149 -14.048 -8.317 1.00 0.29 O ATOM 1034 CB LYS A 68 -18.844 -12.467 -10.653 1.00 0.19 C ATOM 1035 CG LYS A 68 -19.002 -12.538 -12.161 1.00 0.49 C ATOM 1036 CD LYS A 68 -17.675 -12.334 -12.870 1.00 0.41 C ATOM 1037 CE LYS A 68 -17.560 -13.220 -14.099 1.00 1.03 C ATOM 1038 NZ LYS A 68 -17.428 -14.656 -13.733 1.00 1.93 N ATOM 0 H LYS A 68 -19.747 -10.220 -10.068 1.00 0.23 H new ATOM 0 HA LYS A 68 -20.953 -12.801 -10.453 1.00 0.22 H new ATOM 0 HB2 LYS A 68 -18.169 -11.649 -10.403 1.00 0.19 H new ATOM 0 HB3 LYS A 68 -18.376 -13.386 -10.299 1.00 0.19 H new ATOM 0 HG2 LYS A 68 -19.419 -13.506 -12.439 1.00 0.49 H new ATOM 0 HG3 LYS A 68 -19.712 -11.779 -12.490 1.00 0.49 H new ATOM 0 HD2 LYS A 68 -17.574 -11.289 -13.163 1.00 0.41 H new ATOM 0 HD3 LYS A 68 -16.857 -12.553 -12.184 1.00 0.41 H new ATOM 0 HE2 LYS A 68 -18.439 -13.084 -14.729 1.00 1.03 H new ATOM 0 HE3 LYS A 68 -16.696 -12.914 -14.688 1.00 1.03 H new ATOM 0 HZ1 LYS A 68 -16.990 -15.176 -14.520 1.00 1.93 H new ATOM 0 HZ2 LYS A 68 -16.832 -14.745 -12.885 1.00 1.93 H new ATOM 0 HZ3 LYS A 68 -18.369 -15.052 -13.538 1.00 1.93 H new ATOM 1052 N TYR A 69 -19.946 -11.956 -7.510 1.00 0.26 N ATOM 1053 CA TYR A 69 -19.864 -12.371 -6.108 1.00 0.30 C ATOM 1054 C TYR A 69 -21.133 -11.990 -5.352 1.00 0.37 C ATOM 1055 O TYR A 69 -21.328 -12.381 -4.202 1.00 0.43 O ATOM 1056 CB TYR A 69 -18.679 -11.685 -5.439 1.00 0.28 C ATOM 1057 CG TYR A 69 -17.342 -12.090 -6.004 1.00 0.27 C ATOM 1058 CD1 TYR A 69 -16.865 -13.385 -5.854 1.00 0.29 C ATOM 1059 CD2 TYR A 69 -16.558 -11.179 -6.700 1.00 0.28 C ATOM 1060 CE1 TYR A 69 -15.649 -13.761 -6.383 1.00 0.30 C ATOM 1061 CE2 TYR A 69 -15.337 -11.547 -7.230 1.00 0.27 C ATOM 1062 CZ TYR A 69 -14.887 -12.839 -7.071 1.00 0.28 C ATOM 1063 OH TYR A 69 -13.675 -13.214 -7.603 1.00 0.30 O ATOM 0 H TYR A 69 -19.892 -10.947 -7.650 1.00 0.26 H new ATOM 0 HA TYR A 69 -19.743 -13.454 -6.083 1.00 0.30 H new ATOM 0 HB2 TYR A 69 -18.793 -10.606 -5.538 1.00 0.28 H new ATOM 0 HB3 TYR A 69 -18.695 -11.910 -4.373 1.00 0.28 H new ATOM 0 HD1 TYR A 69 -17.456 -14.110 -5.314 1.00 0.29 H new ATOM 0 HD2 TYR A 69 -16.909 -10.166 -6.829 1.00 0.28 H new ATOM 0 HE1 TYR A 69 -15.294 -14.773 -6.259 1.00 0.30 H new ATOM 0 HE2 TYR A 69 -14.738 -10.826 -7.766 1.00 0.27 H new ATOM 0 HH TYR A 69 -13.048 -13.417 -6.878 1.00 0.30 H new ATOM 1073 N GLY A 70 -21.986 -11.227 -6.014 1.00 0.38 N ATOM 1074 CA GLY A 70 -23.227 -10.801 -5.409 1.00 0.47 C ATOM 1075 C GLY A 70 -23.022 -9.863 -4.234 1.00 0.44 C ATOM 1076 O GLY A 70 -23.776 -9.911 -3.262 1.00 0.51 O ATOM 0 H GLY A 70 -21.839 -10.893 -6.967 1.00 0.38 H new ATOM 0 HA2 GLY A 70 -23.840 -10.304 -6.161 1.00 0.47 H new ATOM 0 HA3 GLY A 70 -23.782 -11.678 -5.075 1.00 0.47 H new ATOM 1080 N ILE A 71 -22.019 -8.991 -4.322 1.00 0.36 N ATOM 1081 CA ILE A 71 -21.757 -8.030 -3.257 1.00 0.34 C ATOM 1082 C ILE A 71 -22.785 -6.905 -3.318 1.00 0.47 C ATOM 1083 O ILE A 71 -23.061 -6.366 -4.391 1.00 1.36 O ATOM 1084 CB ILE A 71 -20.334 -7.438 -3.363 1.00 0.26 C ATOM 1085 CG1 ILE A 71 -19.287 -8.550 -3.283 1.00 0.21 C ATOM 1086 CG2 ILE A 71 -20.098 -6.409 -2.261 1.00 0.32 C ATOM 1087 CD1 ILE A 71 -17.870 -8.068 -3.513 1.00 0.27 C ATOM 0 H ILE A 71 -21.380 -8.931 -5.115 1.00 0.36 H new ATOM 0 HA ILE A 71 -21.834 -8.554 -2.304 1.00 0.34 H new ATOM 0 HB ILE A 71 -20.240 -6.939 -4.328 1.00 0.26 H new ATOM 0 HG12 ILE A 71 -19.346 -9.023 -2.303 1.00 0.21 H new ATOM 0 HG13 ILE A 71 -19.526 -9.316 -4.021 1.00 0.21 H new ATOM 0 HG21 ILE A 71 -19.090 -6.003 -2.352 1.00 0.32 H new ATOM 0 HG22 ILE A 71 -20.824 -5.602 -2.355 1.00 0.32 H new ATOM 0 HG23 ILE A 71 -20.210 -6.886 -1.287 1.00 0.32 H new ATOM 0 HD11 ILE A 71 -17.183 -8.911 -3.441 1.00 0.27 H new ATOM 0 HD12 ILE A 71 -17.794 -7.621 -4.504 1.00 0.27 H new ATOM 0 HD13 ILE A 71 -17.612 -7.324 -2.759 1.00 0.27 H new ATOM 1099 N ARG A 72 -23.367 -6.566 -2.176 1.00 0.64 N ATOM 1100 CA ARG A 72 -24.380 -5.521 -2.127 1.00 0.62 C ATOM 1101 C ARG A 72 -24.342 -4.775 -0.798 1.00 0.61 C ATOM 1102 O ARG A 72 -25.374 -4.594 -0.149 1.00 1.25 O ATOM 1103 CB ARG A 72 -25.763 -6.142 -2.339 1.00 0.69 C ATOM 1104 CG ARG A 72 -26.890 -5.125 -2.404 1.00 0.78 C ATOM 1105 CD ARG A 72 -28.079 -5.673 -3.177 1.00 1.24 C ATOM 1106 NE ARG A 72 -29.302 -4.922 -2.910 1.00 1.77 N ATOM 1107 CZ ARG A 72 -30.377 -4.953 -3.695 1.00 2.58 C ATOM 1108 NH1 ARG A 72 -30.380 -5.690 -4.799 1.00 3.21 N ATOM 1109 NH2 ARG A 72 -31.448 -4.236 -3.381 1.00 3.23 N ATOM 0 H ARG A 72 -23.157 -6.997 -1.276 1.00 0.64 H new ATOM 0 HA ARG A 72 -24.173 -4.802 -2.920 1.00 0.62 H new ATOM 0 HB2 ARG A 72 -25.754 -6.719 -3.264 1.00 0.69 H new ATOM 0 HB3 ARG A 72 -25.965 -6.842 -1.528 1.00 0.69 H new ATOM 0 HG2 ARG A 72 -27.201 -4.858 -1.394 1.00 0.78 H new ATOM 0 HG3 ARG A 72 -26.533 -4.212 -2.880 1.00 0.78 H new ATOM 0 HD2 ARG A 72 -27.862 -5.643 -4.245 1.00 1.24 H new ATOM 0 HD3 ARG A 72 -28.232 -6.719 -2.912 1.00 1.24 H new ATOM 0 HE ARG A 72 -29.335 -4.340 -2.073 1.00 1.77 H new ATOM 0 HH11 ARG A 72 -29.556 -6.236 -5.050 1.00 3.21 H new ATOM 0 HH12 ARG A 72 -31.206 -5.710 -5.397 1.00 3.21 H new ATOM 0 HH21 ARG A 72 -31.448 -3.661 -2.538 1.00 3.23 H new ATOM 0 HH22 ARG A 72 -32.272 -4.260 -3.982 1.00 3.23 H new ATOM 1123 N GLY A 73 -23.153 -4.338 -0.398 1.00 0.69 N ATOM 1124 CA GLY A 73 -23.018 -3.617 0.849 1.00 0.79 C ATOM 1125 C GLY A 73 -21.578 -3.247 1.146 1.00 0.68 C ATOM 1126 O GLY A 73 -20.783 -4.098 1.544 1.00 1.07 O ATOM 0 H GLY A 73 -22.284 -4.471 -0.915 1.00 0.69 H new ATOM 0 HA2 GLY A 73 -23.623 -2.711 0.810 1.00 0.79 H new ATOM 0 HA3 GLY A 73 -23.410 -4.227 1.663 1.00 0.79 H new ATOM 1130 N ILE A 74 -21.244 -1.978 0.949 1.00 0.44 N ATOM 1131 CA ILE A 74 -19.890 -1.499 1.198 1.00 0.31 C ATOM 1132 C ILE A 74 -19.801 -0.806 2.555 1.00 0.28 C ATOM 1133 O ILE A 74 -20.794 -0.271 3.052 1.00 0.36 O ATOM 1134 CB ILE A 74 -19.429 -0.518 0.101 1.00 0.44 C ATOM 1135 CG1 ILE A 74 -20.494 0.551 -0.141 1.00 0.65 C ATOM 1136 CG2 ILE A 74 -19.124 -1.268 -1.186 1.00 0.52 C ATOM 1137 CD1 ILE A 74 -20.023 1.690 -1.018 1.00 0.88 C ATOM 0 H ILE A 74 -21.891 -1.262 0.618 1.00 0.44 H new ATOM 0 HA ILE A 74 -19.236 -2.371 1.190 1.00 0.31 H new ATOM 0 HB ILE A 74 -18.517 -0.025 0.438 1.00 0.44 H new ATOM 0 HG12 ILE A 74 -21.365 0.086 -0.602 1.00 0.65 H new ATOM 0 HG13 ILE A 74 -20.818 0.953 0.819 1.00 0.65 H new ATOM 0 HG21 ILE A 74 -18.800 -0.562 -1.951 1.00 0.52 H new ATOM 0 HG22 ILE A 74 -18.332 -1.995 -1.005 1.00 0.52 H new ATOM 0 HG23 ILE A 74 -20.021 -1.786 -1.527 1.00 0.52 H new ATOM 0 HD11 ILE A 74 -20.832 2.410 -1.145 1.00 0.88 H new ATOM 0 HD12 ILE A 74 -19.170 2.182 -0.549 1.00 0.88 H new ATOM 0 HD13 ILE A 74 -19.727 1.301 -1.992 1.00 0.88 H new ATOM 1149 N PRO A 75 -18.608 -0.805 3.177 1.00 0.23 N ATOM 1150 CA PRO A 75 -17.404 -1.427 2.627 1.00 0.18 C ATOM 1151 C PRO A 75 -17.360 -2.932 2.880 1.00 0.14 C ATOM 1152 O PRO A 75 -17.357 -3.378 4.030 1.00 0.14 O ATOM 1153 CB PRO A 75 -16.256 -0.727 3.378 1.00 0.22 C ATOM 1154 CG PRO A 75 -16.902 0.230 4.336 1.00 0.44 C ATOM 1155 CD PRO A 75 -18.336 -0.195 4.474 1.00 0.29 C ATOM 0 HA PRO A 75 -17.352 -1.316 1.544 1.00 0.18 H new ATOM 0 HB2 PRO A 75 -15.640 -1.452 3.909 1.00 0.22 H new ATOM 0 HB3 PRO A 75 -15.601 -0.200 2.684 1.00 0.22 H new ATOM 0 HG2 PRO A 75 -16.398 0.209 5.302 1.00 0.44 H new ATOM 0 HG3 PRO A 75 -16.836 1.253 3.964 1.00 0.44 H new ATOM 0 HD2 PRO A 75 -18.473 -0.902 5.292 1.00 0.29 H new ATOM 0 HD3 PRO A 75 -18.994 0.652 4.671 1.00 0.29 H new ATOM 1163 N THR A 76 -17.327 -3.708 1.801 1.00 0.15 N ATOM 1164 CA THR A 76 -17.276 -5.160 1.897 1.00 0.14 C ATOM 1165 C THR A 76 -15.837 -5.669 1.944 1.00 0.13 C ATOM 1166 O THR A 76 -14.981 -5.212 1.184 1.00 0.15 O ATOM 1167 CB THR A 76 -17.992 -5.794 0.705 1.00 0.19 C ATOM 1168 OG1 THR A 76 -18.934 -4.897 0.146 1.00 0.49 O ATOM 1169 CG2 THR A 76 -18.723 -7.073 1.055 1.00 0.37 C ATOM 0 H THR A 76 -17.335 -3.351 0.845 1.00 0.15 H new ATOM 0 HA THR A 76 -17.775 -5.443 2.824 1.00 0.14 H new ATOM 0 HB THR A 76 -17.204 -6.030 -0.010 1.00 0.19 H new ATOM 0 HG1 THR A 76 -19.758 -4.915 0.677 1.00 0.49 H new ATOM 0 HG21 THR A 76 -19.209 -7.470 0.164 1.00 0.37 H new ATOM 0 HG22 THR A 76 -18.012 -7.805 1.437 1.00 0.37 H new ATOM 0 HG23 THR A 76 -19.475 -6.866 1.816 1.00 0.37 H new ATOM 1177 N LEU A 77 -15.581 -6.642 2.806 1.00 0.13 N ATOM 1178 CA LEU A 77 -14.260 -7.233 2.896 1.00 0.14 C ATOM 1179 C LEU A 77 -14.314 -8.619 2.283 1.00 0.13 C ATOM 1180 O LEU A 77 -15.066 -9.484 2.731 1.00 0.14 O ATOM 1181 CB LEU A 77 -13.762 -7.291 4.350 1.00 0.19 C ATOM 1182 CG LEU A 77 -12.582 -6.372 4.671 1.00 0.63 C ATOM 1183 CD1 LEU A 77 -12.893 -4.940 4.274 1.00 0.43 C ATOM 1184 CD2 LEU A 77 -12.237 -6.456 6.150 1.00 1.70 C ATOM 0 H LEU A 77 -16.268 -7.035 3.449 1.00 0.13 H new ATOM 0 HA LEU A 77 -13.550 -6.613 2.350 1.00 0.14 H new ATOM 0 HB2 LEU A 77 -14.590 -7.037 5.011 1.00 0.19 H new ATOM 0 HB3 LEU A 77 -13.475 -8.317 4.578 1.00 0.19 H new ATOM 0 HG LEU A 77 -11.719 -6.703 4.094 1.00 0.63 H new ATOM 0 HD11 LEU A 77 -12.041 -4.303 4.511 1.00 0.43 H new ATOM 0 HD12 LEU A 77 -13.093 -4.895 3.204 1.00 0.43 H new ATOM 0 HD13 LEU A 77 -13.769 -4.593 4.822 1.00 0.43 H new ATOM 0 HD21 LEU A 77 -11.396 -5.797 6.365 1.00 1.70 H new ATOM 0 HD22 LEU A 77 -13.099 -6.149 6.743 1.00 1.70 H new ATOM 0 HD23 LEU A 77 -11.969 -7.482 6.403 1.00 1.70 H new ATOM 1196 N LEU A 78 -13.530 -8.813 1.233 1.00 0.14 N ATOM 1197 CA LEU A 78 -13.514 -10.086 0.533 1.00 0.14 C ATOM 1198 C LEU A 78 -12.244 -10.857 0.826 1.00 0.13 C ATOM 1199 O LEU A 78 -11.132 -10.348 0.681 1.00 0.15 O ATOM 1200 CB LEU A 78 -13.635 -9.874 -0.985 1.00 0.14 C ATOM 1201 CG LEU A 78 -15.056 -9.698 -1.557 1.00 0.16 C ATOM 1202 CD1 LEU A 78 -15.241 -10.559 -2.798 1.00 0.23 C ATOM 1203 CD2 LEU A 78 -16.127 -10.034 -0.531 1.00 0.18 C ATOM 0 H LEU A 78 -12.900 -8.108 0.849 1.00 0.14 H new ATOM 0 HA LEU A 78 -14.368 -10.662 0.889 1.00 0.14 H new ATOM 0 HB2 LEU A 78 -13.051 -8.993 -1.251 1.00 0.14 H new ATOM 0 HB3 LEU A 78 -13.172 -10.726 -1.484 1.00 0.14 H new ATOM 0 HG LEU A 78 -15.168 -8.647 -1.825 1.00 0.16 H new ATOM 0 HD11 LEU A 78 -16.249 -10.422 -3.189 1.00 0.23 H new ATOM 0 HD12 LEU A 78 -14.515 -10.265 -3.556 1.00 0.23 H new ATOM 0 HD13 LEU A 78 -15.091 -11.607 -2.539 1.00 0.23 H new ATOM 0 HD21 LEU A 78 -17.113 -9.897 -0.976 1.00 0.18 H new ATOM 0 HD22 LEU A 78 -16.014 -11.070 -0.213 1.00 0.18 H new ATOM 0 HD23 LEU A 78 -16.023 -9.376 0.332 1.00 0.18 H new ATOM 1215 N LEU A 79 -12.427 -12.098 1.231 1.00 0.12 N ATOM 1216 CA LEU A 79 -11.322 -12.975 1.538 1.00 0.13 C ATOM 1217 C LEU A 79 -11.261 -14.071 0.492 1.00 0.13 C ATOM 1218 O LEU A 79 -12.277 -14.697 0.201 1.00 0.14 O ATOM 1219 CB LEU A 79 -11.514 -13.596 2.926 1.00 0.14 C ATOM 1220 CG LEU A 79 -10.726 -12.942 4.060 1.00 0.20 C ATOM 1221 CD1 LEU A 79 -9.236 -13.194 3.895 1.00 0.30 C ATOM 1222 CD2 LEU A 79 -11.014 -11.451 4.119 1.00 0.22 C ATOM 0 H LEU A 79 -13.346 -12.523 1.355 1.00 0.12 H new ATOM 0 HA LEU A 79 -10.392 -12.406 1.535 1.00 0.13 H new ATOM 0 HB2 LEU A 79 -12.574 -13.559 3.177 1.00 0.14 H new ATOM 0 HB3 LEU A 79 -11.235 -14.648 2.875 1.00 0.14 H new ATOM 0 HG LEU A 79 -11.045 -13.391 5.001 1.00 0.20 H new ATOM 0 HD11 LEU A 79 -8.694 -12.720 4.713 1.00 0.30 H new ATOM 0 HD12 LEU A 79 -9.045 -14.267 3.907 1.00 0.30 H new ATOM 0 HD13 LEU A 79 -8.899 -12.776 2.946 1.00 0.30 H new ATOM 0 HD21 LEU A 79 -10.444 -11.002 4.933 1.00 0.22 H new ATOM 0 HD22 LEU A 79 -10.726 -10.987 3.175 1.00 0.22 H new ATOM 0 HD23 LEU A 79 -12.079 -11.293 4.291 1.00 0.22 H new ATOM 1234 N PHE A 80 -10.084 -14.312 -0.073 1.00 0.16 N ATOM 1235 CA PHE A 80 -9.936 -15.352 -1.083 1.00 0.17 C ATOM 1236 C PHE A 80 -8.858 -16.354 -0.663 1.00 0.17 C ATOM 1237 O PHE A 80 -7.934 -16.021 0.077 1.00 0.17 O ATOM 1238 CB PHE A 80 -9.587 -14.744 -2.444 1.00 0.18 C ATOM 1239 CG PHE A 80 -10.746 -14.110 -3.159 1.00 0.18 C ATOM 1240 CD1 PHE A 80 -11.208 -12.859 -2.782 1.00 0.17 C ATOM 1241 CD2 PHE A 80 -11.363 -14.757 -4.219 1.00 0.22 C ATOM 1242 CE1 PHE A 80 -12.264 -12.266 -3.448 1.00 0.20 C ATOM 1243 CE2 PHE A 80 -12.422 -14.169 -4.888 1.00 0.25 C ATOM 1244 CZ PHE A 80 -12.871 -12.921 -4.501 1.00 0.23 C ATOM 0 H PHE A 80 -9.226 -13.807 0.148 1.00 0.16 H new ATOM 0 HA PHE A 80 -10.888 -15.875 -1.173 1.00 0.17 H new ATOM 0 HB2 PHE A 80 -8.809 -13.994 -2.304 1.00 0.18 H new ATOM 0 HB3 PHE A 80 -9.167 -15.524 -3.079 1.00 0.18 H new ATOM 0 HD1 PHE A 80 -10.738 -12.342 -1.959 1.00 0.17 H new ATOM 0 HD2 PHE A 80 -11.013 -15.731 -4.526 1.00 0.22 H new ATOM 0 HE1 PHE A 80 -12.614 -11.290 -3.145 1.00 0.20 H new ATOM 0 HE2 PHE A 80 -12.896 -14.684 -5.710 1.00 0.25 H new ATOM 0 HZ PHE A 80 -13.696 -12.458 -5.022 1.00 0.23 H new ATOM 1254 N LYS A 81 -9.014 -17.582 -1.129 1.00 0.18 N ATOM 1255 CA LYS A 81 -8.100 -18.674 -0.818 1.00 0.19 C ATOM 1256 C LYS A 81 -7.960 -19.575 -2.033 1.00 0.20 C ATOM 1257 O LYS A 81 -8.934 -20.207 -2.444 1.00 0.25 O ATOM 1258 CB LYS A 81 -8.655 -19.500 0.348 1.00 0.20 C ATOM 1259 CG LYS A 81 -7.598 -20.016 1.305 1.00 0.21 C ATOM 1260 CD LYS A 81 -7.807 -19.467 2.708 1.00 0.25 C ATOM 1261 CE LYS A 81 -6.494 -19.359 3.462 1.00 0.39 C ATOM 1262 NZ LYS A 81 -5.772 -20.661 3.509 1.00 0.54 N ATOM 0 H LYS A 81 -9.785 -17.854 -1.739 1.00 0.18 H new ATOM 0 HA LYS A 81 -7.129 -18.260 -0.545 1.00 0.19 H new ATOM 0 HB2 LYS A 81 -9.366 -18.889 0.905 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -9.210 -20.348 -0.054 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -7.628 -21.105 1.330 1.00 0.21 H new ATOM 0 HG3 LYS A 81 -6.609 -19.733 0.945 1.00 0.21 H new ATOM 0 HD2 LYS A 81 -8.277 -18.485 2.650 1.00 0.25 H new ATOM 0 HD3 LYS A 81 -8.491 -20.115 3.256 1.00 0.25 H new ATOM 0 HE2 LYS A 81 -5.862 -18.610 2.985 1.00 0.39 H new ATOM 0 HE3 LYS A 81 -6.686 -19.013 4.478 1.00 0.39 H new ATOM 0 HZ1 LYS A 81 -4.952 -20.581 4.144 1.00 0.54 H new ATOM 0 HZ2 LYS A 81 -6.412 -21.400 3.863 1.00 0.54 H new ATOM 0 HZ3 LYS A 81 -5.447 -20.912 2.554 1.00 0.54 H new ATOM 1276 N ASN A 82 -6.769 -19.646 -2.619 1.00 0.20 N ATOM 1277 CA ASN A 82 -6.574 -20.488 -3.790 1.00 0.21 C ATOM 1278 C ASN A 82 -7.603 -20.145 -4.868 1.00 0.17 C ATOM 1279 O ASN A 82 -8.250 -21.028 -5.429 1.00 0.17 O ATOM 1280 CB ASN A 82 -6.692 -21.964 -3.401 1.00 0.26 C ATOM 1281 CG ASN A 82 -5.494 -22.500 -2.620 1.00 0.49 C ATOM 1282 OD1 ASN A 82 -5.402 -23.704 -2.383 1.00 1.14 O ATOM 1283 ND2 ASN A 82 -4.575 -21.627 -2.203 1.00 0.30 N ATOM 0 H ASN A 82 -5.939 -19.140 -2.308 1.00 0.20 H new ATOM 0 HA ASN A 82 -5.576 -20.306 -4.189 1.00 0.21 H new ATOM 0 HB2 ASN A 82 -7.593 -22.100 -2.803 1.00 0.26 H new ATOM 0 HB3 ASN A 82 -6.818 -22.558 -4.306 1.00 0.26 H new ATOM 0 HD21 ASN A 82 -3.767 -21.952 -1.671 1.00 0.30 H new ATOM 0 HD22 ASN A 82 -4.680 -20.635 -2.416 1.00 0.30 H new ATOM 1290 N GLY A 83 -7.730 -18.850 -5.167 1.00 0.17 N ATOM 1291 CA GLY A 83 -8.662 -18.402 -6.190 1.00 0.18 C ATOM 1292 C GLY A 83 -10.125 -18.581 -5.811 1.00 0.17 C ATOM 1293 O GLY A 83 -11.012 -18.294 -6.614 1.00 0.19 O ATOM 0 H GLY A 83 -7.202 -18.103 -4.716 1.00 0.17 H new ATOM 0 HA2 GLY A 83 -8.477 -17.348 -6.400 1.00 0.18 H new ATOM 0 HA3 GLY A 83 -8.466 -18.950 -7.112 1.00 0.18 H new ATOM 1297 N GLU A 84 -10.383 -19.049 -4.596 1.00 0.16 N ATOM 1298 CA GLU A 84 -11.750 -19.256 -4.131 1.00 0.18 C ATOM 1299 C GLU A 84 -12.021 -18.400 -2.906 1.00 0.17 C ATOM 1300 O GLU A 84 -11.158 -18.252 -2.056 1.00 0.16 O ATOM 1301 CB GLU A 84 -11.967 -20.733 -3.788 1.00 0.22 C ATOM 1302 CG GLU A 84 -13.410 -21.193 -3.924 1.00 0.29 C ATOM 1303 CD GLU A 84 -13.787 -22.247 -2.903 1.00 0.61 C ATOM 1304 OE1 GLU A 84 -13.210 -23.354 -2.952 1.00 1.37 O ATOM 1305 OE2 GLU A 84 -14.660 -21.970 -2.053 1.00 1.28 O ATOM 0 H GLU A 84 -9.664 -19.293 -3.915 1.00 0.16 H new ATOM 0 HA GLU A 84 -12.439 -18.967 -4.925 1.00 0.18 H new ATOM 0 HB2 GLU A 84 -11.339 -21.343 -4.438 1.00 0.22 H new ATOM 0 HB3 GLU A 84 -11.634 -20.911 -2.765 1.00 0.22 H new ATOM 0 HG2 GLU A 84 -14.072 -20.334 -3.815 1.00 0.29 H new ATOM 0 HG3 GLU A 84 -13.567 -21.592 -4.926 1.00 0.29 H new ATOM 1312 N VAL A 85 -13.223 -17.843 -2.800 1.00 0.20 N ATOM 1313 CA VAL A 85 -13.546 -17.010 -1.649 1.00 0.20 C ATOM 1314 C VAL A 85 -13.212 -17.763 -0.364 1.00 0.21 C ATOM 1315 O VAL A 85 -13.534 -18.943 -0.219 1.00 0.25 O ATOM 1316 CB VAL A 85 -15.028 -16.582 -1.635 1.00 0.25 C ATOM 1317 CG1 VAL A 85 -15.386 -15.911 -0.314 1.00 1.22 C ATOM 1318 CG2 VAL A 85 -15.321 -15.648 -2.796 1.00 1.27 C ATOM 0 H VAL A 85 -13.975 -17.950 -3.481 1.00 0.20 H new ATOM 0 HA VAL A 85 -12.947 -16.102 -1.719 1.00 0.20 H new ATOM 0 HB VAL A 85 -15.641 -17.477 -1.742 1.00 0.25 H new ATOM 0 HG11 VAL A 85 -16.436 -15.618 -0.328 1.00 1.22 H new ATOM 0 HG12 VAL A 85 -15.214 -16.608 0.506 1.00 1.22 H new ATOM 0 HG13 VAL A 85 -14.764 -15.027 -0.175 1.00 1.22 H new ATOM 0 HG21 VAL A 85 -16.371 -15.355 -2.772 1.00 1.27 H new ATOM 0 HG22 VAL A 85 -14.695 -14.760 -2.715 1.00 1.27 H new ATOM 0 HG23 VAL A 85 -15.108 -16.158 -3.736 1.00 1.27 H new ATOM 1328 N ALA A 86 -12.536 -17.081 0.546 1.00 0.18 N ATOM 1329 CA ALA A 86 -12.122 -17.679 1.806 1.00 0.20 C ATOM 1330 C ALA A 86 -12.990 -17.219 2.953 1.00 0.18 C ATOM 1331 O ALA A 86 -13.141 -17.905 3.964 1.00 0.21 O ATOM 1332 CB ALA A 86 -10.665 -17.340 2.085 1.00 0.24 C ATOM 0 H ALA A 86 -12.260 -16.105 0.435 1.00 0.18 H new ATOM 0 HA ALA A 86 -12.235 -18.760 1.718 1.00 0.20 H new ATOM 0 HB1 ALA A 86 -10.361 -17.791 3.030 1.00 0.24 H new ATOM 0 HB2 ALA A 86 -10.041 -17.728 1.280 1.00 0.24 H new ATOM 0 HB3 ALA A 86 -10.548 -16.258 2.145 1.00 0.24 H new ATOM 1338 N ALA A 87 -13.555 -16.059 2.769 1.00 0.16 N ATOM 1339 CA ALA A 87 -14.426 -15.455 3.758 1.00 0.17 C ATOM 1340 C ALA A 87 -15.077 -14.192 3.209 1.00 0.17 C ATOM 1341 O ALA A 87 -14.596 -13.603 2.241 1.00 0.18 O ATOM 1342 CB ALA A 87 -13.643 -15.152 5.025 1.00 0.19 C ATOM 0 H ALA A 87 -13.429 -15.497 1.927 1.00 0.16 H new ATOM 0 HA ALA A 87 -15.221 -16.161 3.999 1.00 0.17 H new ATOM 0 HB1 ALA A 87 -14.305 -14.698 5.762 1.00 0.19 H new ATOM 0 HB2 ALA A 87 -13.231 -16.077 5.428 1.00 0.19 H new ATOM 0 HB3 ALA A 87 -12.831 -14.463 4.795 1.00 0.19 H new ATOM 1348 N THR A 88 -16.163 -13.771 3.839 1.00 0.20 N ATOM 1349 CA THR A 88 -16.869 -12.571 3.415 1.00 0.23 C ATOM 1350 C THR A 88 -17.267 -11.723 4.617 1.00 0.28 C ATOM 1351 O THR A 88 -17.787 -12.238 5.607 1.00 0.49 O ATOM 1352 CB THR A 88 -18.108 -12.944 2.596 1.00 0.33 C ATOM 1353 OG1 THR A 88 -19.073 -11.907 2.639 1.00 1.03 O ATOM 1354 CG2 THR A 88 -18.782 -14.218 3.065 1.00 1.13 C ATOM 0 H THR A 88 -16.575 -14.242 4.645 1.00 0.20 H new ATOM 0 HA THR A 88 -16.197 -11.984 2.789 1.00 0.23 H new ATOM 0 HB THR A 88 -17.741 -13.100 1.582 1.00 0.33 H new ATOM 0 HG1 THR A 88 -19.855 -12.166 2.108 1.00 1.03 H new ATOM 0 HG21 THR A 88 -19.652 -14.421 2.440 1.00 1.13 H new ATOM 0 HG22 THR A 88 -18.080 -15.049 2.992 1.00 1.13 H new ATOM 0 HG23 THR A 88 -19.099 -14.102 4.101 1.00 1.13 H new ATOM 1362 N LYS A 89 -17.027 -10.419 4.523 1.00 0.16 N ATOM 1363 CA LYS A 89 -17.367 -9.495 5.598 1.00 0.19 C ATOM 1364 C LYS A 89 -18.034 -8.248 5.028 1.00 0.19 C ATOM 1365 O LYS A 89 -17.613 -7.726 3.996 1.00 0.20 O ATOM 1366 CB LYS A 89 -16.111 -9.112 6.385 1.00 0.23 C ATOM 1367 CG LYS A 89 -16.067 -9.703 7.784 1.00 0.40 C ATOM 1368 CD LYS A 89 -16.707 -8.772 8.800 1.00 0.85 C ATOM 1369 CE LYS A 89 -16.202 -9.051 10.206 1.00 1.07 C ATOM 1370 NZ LYS A 89 -17.134 -9.928 10.967 1.00 1.34 N ATOM 0 H LYS A 89 -16.597 -9.978 3.710 1.00 0.16 H new ATOM 0 HA LYS A 89 -18.065 -9.987 6.275 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -15.231 -9.442 5.832 1.00 0.23 H new ATOM 0 HB3 LYS A 89 -16.054 -8.026 6.456 1.00 0.23 H new ATOM 0 HG2 LYS A 89 -16.584 -10.663 7.792 1.00 0.40 H new ATOM 0 HG3 LYS A 89 -15.032 -9.896 8.067 1.00 0.40 H new ATOM 0 HD2 LYS A 89 -16.491 -7.737 8.533 1.00 0.85 H new ATOM 0 HD3 LYS A 89 -17.790 -8.890 8.771 1.00 0.85 H new ATOM 0 HE2 LYS A 89 -15.221 -9.524 10.152 1.00 1.07 H new ATOM 0 HE3 LYS A 89 -16.073 -8.109 10.739 1.00 1.07 H new ATOM 0 HZ1 LYS A 89 -16.754 -10.094 11.921 1.00 1.34 H new ATOM 0 HZ2 LYS A 89 -18.063 -9.466 11.041 1.00 1.34 H new ATOM 0 HZ3 LYS A 89 -17.237 -10.837 10.472 1.00 1.34 H new ATOM 1384 N VAL A 90 -19.077 -7.777 5.699 1.00 0.19 N ATOM 1385 CA VAL A 90 -19.804 -6.595 5.251 1.00 0.19 C ATOM 1386 C VAL A 90 -19.755 -5.489 6.297 1.00 0.18 C ATOM 1387 O VAL A 90 -19.770 -5.760 7.500 1.00 0.19 O ATOM 1388 CB VAL A 90 -21.277 -6.933 4.946 1.00 0.23 C ATOM 1389 CG1 VAL A 90 -21.979 -5.752 4.292 1.00 0.98 C ATOM 1390 CG2 VAL A 90 -21.368 -8.169 4.063 1.00 0.90 C ATOM 0 H VAL A 90 -19.439 -8.195 6.556 1.00 0.19 H new ATOM 0 HA VAL A 90 -19.318 -6.247 4.339 1.00 0.19 H new ATOM 0 HB VAL A 90 -21.781 -7.146 5.889 1.00 0.23 H new ATOM 0 HG11 VAL A 90 -23.017 -6.014 4.086 1.00 0.98 H new ATOM 0 HG12 VAL A 90 -21.948 -4.893 4.963 1.00 0.98 H new ATOM 0 HG13 VAL A 90 -21.476 -5.501 3.358 1.00 0.98 H new ATOM 0 HG21 VAL A 90 -22.415 -8.393 3.858 1.00 0.90 H new ATOM 0 HG22 VAL A 90 -20.845 -7.985 3.124 1.00 0.90 H new ATOM 0 HG23 VAL A 90 -20.909 -9.016 4.574 1.00 0.90 H new ATOM 1400 N GLY A 91 -19.706 -4.240 5.839 1.00 0.18 N ATOM 1401 CA GLY A 91 -19.660 -3.119 6.755 1.00 0.20 C ATOM 1402 C GLY A 91 -18.268 -2.842 7.283 1.00 0.19 C ATOM 1403 O GLY A 91 -17.392 -3.704 7.235 1.00 0.18 O ATOM 0 H GLY A 91 -19.697 -3.987 4.851 1.00 0.18 H new ATOM 0 HA2 GLY A 91 -20.035 -2.229 6.250 1.00 0.20 H new ATOM 0 HA3 GLY A 91 -20.328 -3.315 7.594 1.00 0.20 H new ATOM 1407 N ALA A 92 -18.072 -1.624 7.779 1.00 0.23 N ATOM 1408 CA ALA A 92 -16.783 -1.204 8.308 1.00 0.25 C ATOM 1409 C ALA A 92 -16.431 -1.946 9.592 1.00 0.24 C ATOM 1410 O ALA A 92 -17.309 -2.381 10.338 1.00 0.44 O ATOM 1411 CB ALA A 92 -16.785 0.297 8.552 1.00 0.31 C ATOM 0 H ALA A 92 -18.797 -0.908 7.825 1.00 0.23 H new ATOM 0 HA ALA A 92 -16.022 -1.449 7.567 1.00 0.25 H new ATOM 0 HB1 ALA A 92 -15.816 0.603 8.948 1.00 0.31 H new ATOM 0 HB2 ALA A 92 -16.974 0.818 7.613 1.00 0.31 H new ATOM 0 HB3 ALA A 92 -17.566 0.548 9.270 1.00 0.31 H new ATOM 1417 N LEU A 93 -15.132 -2.086 9.840 1.00 0.28 N ATOM 1418 CA LEU A 93 -14.640 -2.772 11.027 1.00 0.28 C ATOM 1419 C LEU A 93 -13.346 -2.129 11.516 1.00 0.31 C ATOM 1420 O LEU A 93 -12.590 -1.560 10.729 1.00 0.59 O ATOM 1421 CB LEU A 93 -14.407 -4.254 10.726 1.00 0.28 C ATOM 1422 CG LEU A 93 -13.725 -4.544 9.387 1.00 0.47 C ATOM 1423 CD1 LEU A 93 -12.802 -5.749 9.507 1.00 0.32 C ATOM 1424 CD2 LEU A 93 -14.763 -4.770 8.300 1.00 0.79 C ATOM 0 H LEU A 93 -14.397 -1.730 9.229 1.00 0.28 H new ATOM 0 HA LEU A 93 -15.392 -2.686 11.811 1.00 0.28 H new ATOM 0 HB2 LEU A 93 -13.800 -4.680 11.525 1.00 0.28 H new ATOM 0 HB3 LEU A 93 -15.368 -4.768 10.746 1.00 0.28 H new ATOM 0 HG LEU A 93 -13.123 -3.678 9.112 1.00 0.47 H new ATOM 0 HD11 LEU A 93 -12.326 -5.940 8.545 1.00 0.32 H new ATOM 0 HD12 LEU A 93 -12.037 -5.548 10.257 1.00 0.32 H new ATOM 0 HD13 LEU A 93 -13.381 -6.623 9.805 1.00 0.32 H new ATOM 0 HD21 LEU A 93 -14.261 -4.975 7.354 1.00 0.79 H new ATOM 0 HD22 LEU A 93 -15.392 -5.619 8.568 1.00 0.79 H new ATOM 0 HD23 LEU A 93 -15.382 -3.879 8.197 1.00 0.79 H new ATOM 1436 N SER A 94 -13.099 -2.213 12.819 1.00 0.34 N ATOM 1437 CA SER A 94 -11.897 -1.631 13.405 1.00 0.32 C ATOM 1438 C SER A 94 -10.649 -2.396 12.970 1.00 0.29 C ATOM 1439 O SER A 94 -10.738 -3.375 12.228 1.00 0.35 O ATOM 1440 CB SER A 94 -12.003 -1.618 14.931 1.00 0.34 C ATOM 1441 OG SER A 94 -12.553 -0.396 15.389 1.00 0.98 O ATOM 0 H SER A 94 -13.713 -2.677 13.488 1.00 0.34 H new ATOM 0 HA SER A 94 -11.809 -0.605 13.047 1.00 0.32 H new ATOM 0 HB2 SER A 94 -12.625 -2.449 15.263 1.00 0.34 H new ATOM 0 HB3 SER A 94 -11.016 -1.764 15.369 1.00 0.34 H new ATOM 0 HG SER A 94 -12.613 -0.411 16.367 1.00 0.98 H new ATOM 1447 N LYS A 95 -9.488 -1.935 13.430 1.00 0.27 N ATOM 1448 CA LYS A 95 -8.220 -2.568 13.078 1.00 0.25 C ATOM 1449 C LYS A 95 -8.042 -3.910 13.782 1.00 0.23 C ATOM 1450 O LYS A 95 -7.371 -4.803 13.258 1.00 0.23 O ATOM 1451 CB LYS A 95 -7.045 -1.646 13.415 1.00 0.28 C ATOM 1452 CG LYS A 95 -5.685 -2.279 13.159 1.00 0.28 C ATOM 1453 CD LYS A 95 -4.642 -1.244 12.774 1.00 0.30 C ATOM 1454 CE LYS A 95 -3.305 -1.896 12.459 1.00 0.36 C ATOM 1455 NZ LYS A 95 -2.159 -1.078 12.944 1.00 0.95 N ATOM 0 H LYS A 95 -9.399 -1.127 14.046 1.00 0.27 H new ATOM 0 HA LYS A 95 -8.238 -2.750 12.003 1.00 0.25 H new ATOM 0 HB2 LYS A 95 -7.129 -0.733 12.825 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -7.110 -1.355 14.464 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -5.357 -2.809 14.053 1.00 0.28 H new ATOM 0 HG3 LYS A 95 -5.773 -3.019 12.364 1.00 0.28 H new ATOM 0 HD2 LYS A 95 -4.988 -0.682 11.907 1.00 0.30 H new ATOM 0 HD3 LYS A 95 -4.518 -0.530 13.588 1.00 0.30 H new ATOM 0 HE2 LYS A 95 -3.266 -2.884 12.918 1.00 0.36 H new ATOM 0 HE3 LYS A 95 -3.217 -2.041 11.382 1.00 0.36 H new ATOM 0 HZ1 LYS A 95 -1.266 -1.557 12.709 1.00 0.95 H new ATOM 0 HZ2 LYS A 95 -2.181 -0.144 12.487 1.00 0.95 H new ATOM 0 HZ3 LYS A 95 -2.228 -0.960 13.975 1.00 0.95 H new ATOM 1469 N GLY A 96 -8.608 -4.047 14.976 1.00 0.24 N ATOM 1470 CA GLY A 96 -8.465 -5.286 15.706 1.00 0.23 C ATOM 1471 C GLY A 96 -9.357 -6.383 15.166 1.00 0.22 C ATOM 1472 O GLY A 96 -8.992 -7.556 15.203 1.00 0.22 O ATOM 0 H GLY A 96 -9.158 -3.328 15.445 1.00 0.24 H new ATOM 0 HA2 GLY A 96 -7.426 -5.612 15.662 1.00 0.23 H new ATOM 0 HA3 GLY A 96 -8.701 -5.114 16.756 1.00 0.23 H new ATOM 1476 N GLN A 97 -10.519 -6.007 14.644 1.00 0.22 N ATOM 1477 CA GLN A 97 -11.445 -6.984 14.082 1.00 0.21 C ATOM 1478 C GLN A 97 -10.956 -7.461 12.721 1.00 0.20 C ATOM 1479 O GLN A 97 -11.153 -8.616 12.351 1.00 0.20 O ATOM 1480 CB GLN A 97 -12.847 -6.394 13.938 1.00 0.23 C ATOM 1481 CG GLN A 97 -13.315 -5.603 15.146 1.00 0.28 C ATOM 1482 CD GLN A 97 -14.594 -4.841 14.858 1.00 0.54 C ATOM 1483 OE1 GLN A 97 -14.923 -4.573 13.700 1.00 0.89 O ATOM 1484 NE2 GLN A 97 -15.318 -4.469 15.910 1.00 1.30 N ATOM 0 H GLN A 97 -10.841 -5.040 14.598 1.00 0.22 H new ATOM 0 HA GLN A 97 -11.489 -7.830 14.768 1.00 0.21 H new ATOM 0 HB2 GLN A 97 -12.868 -5.745 13.062 1.00 0.23 H new ATOM 0 HB3 GLN A 97 -13.553 -7.204 13.752 1.00 0.23 H new ATOM 0 HG2 GLN A 97 -13.476 -6.281 15.984 1.00 0.28 H new ATOM 0 HG3 GLN A 97 -12.535 -4.904 15.447 1.00 0.28 H new ATOM 0 HE21 GLN A 97 -15.011 -4.711 16.852 1.00 1.30 H new ATOM 0 HE22 GLN A 97 -16.181 -3.942 15.775 1.00 1.30 H new ATOM 1493 N LEU A 98 -10.304 -6.570 11.984 1.00 0.21 N ATOM 1494 CA LEU A 98 -9.781 -6.933 10.674 1.00 0.21 C ATOM 1495 C LEU A 98 -8.636 -7.921 10.849 1.00 0.20 C ATOM 1496 O LEU A 98 -8.600 -8.969 10.205 1.00 0.20 O ATOM 1497 CB LEU A 98 -9.322 -5.705 9.885 1.00 0.23 C ATOM 1498 CG LEU A 98 -9.617 -5.775 8.383 1.00 0.26 C ATOM 1499 CD1 LEU A 98 -9.812 -4.385 7.800 1.00 0.40 C ATOM 1500 CD2 LEU A 98 -8.501 -6.510 7.655 1.00 0.40 C ATOM 0 H LEU A 98 -10.127 -5.606 12.266 1.00 0.21 H new ATOM 0 HA LEU A 98 -10.581 -7.398 10.098 1.00 0.21 H new ATOM 0 HB2 LEU A 98 -9.807 -4.820 10.298 1.00 0.23 H new ATOM 0 HB3 LEU A 98 -8.249 -5.576 10.027 1.00 0.23 H new ATOM 0 HG LEU A 98 -10.545 -6.330 8.245 1.00 0.26 H new ATOM 0 HD11 LEU A 98 -10.020 -4.464 6.733 1.00 0.40 H new ATOM 0 HD12 LEU A 98 -10.649 -3.896 8.298 1.00 0.40 H new ATOM 0 HD13 LEU A 98 -8.907 -3.797 7.951 1.00 0.40 H new ATOM 0 HD21 LEU A 98 -8.727 -6.551 6.589 1.00 0.40 H new ATOM 0 HD22 LEU A 98 -7.559 -5.983 7.807 1.00 0.40 H new ATOM 0 HD23 LEU A 98 -8.417 -7.524 8.047 1.00 0.40 H new ATOM 1512 N LYS A 99 -7.707 -7.582 11.743 1.00 0.19 N ATOM 1513 CA LYS A 99 -6.567 -8.445 12.020 1.00 0.19 C ATOM 1514 C LYS A 99 -7.038 -9.796 12.546 1.00 0.19 C ATOM 1515 O LYS A 99 -6.534 -10.845 12.142 1.00 0.19 O ATOM 1516 CB LYS A 99 -5.638 -7.791 13.044 1.00 0.21 C ATOM 1517 CG LYS A 99 -4.180 -8.189 12.881 1.00 0.27 C ATOM 1518 CD LYS A 99 -3.355 -7.791 14.096 1.00 0.50 C ATOM 1519 CE LYS A 99 -3.679 -8.654 15.303 1.00 0.89 C ATOM 1520 NZ LYS A 99 -2.613 -8.578 16.340 1.00 1.45 N ATOM 0 H LYS A 99 -7.724 -6.718 12.284 1.00 0.19 H new ATOM 0 HA LYS A 99 -6.020 -8.596 11.089 1.00 0.19 H new ATOM 0 HB2 LYS A 99 -5.722 -6.708 12.959 1.00 0.21 H new ATOM 0 HB3 LYS A 99 -5.970 -8.059 14.047 1.00 0.21 H new ATOM 0 HG2 LYS A 99 -4.110 -9.266 12.729 1.00 0.27 H new ATOM 0 HG3 LYS A 99 -3.770 -7.715 11.990 1.00 0.27 H new ATOM 0 HD2 LYS A 99 -2.294 -7.879 13.860 1.00 0.50 H new ATOM 0 HD3 LYS A 99 -3.543 -6.744 14.336 1.00 0.50 H new ATOM 0 HE2 LYS A 99 -4.628 -8.335 15.734 1.00 0.89 H new ATOM 0 HE3 LYS A 99 -3.805 -9.689 14.986 1.00 0.89 H new ATOM 0 HZ1 LYS A 99 -2.871 -9.180 17.148 1.00 1.45 H new ATOM 0 HZ2 LYS A 99 -1.712 -8.906 15.937 1.00 1.45 H new ATOM 0 HZ3 LYS A 99 -2.510 -7.594 16.661 1.00 1.45 H new ATOM 1534 N GLU A 100 -8.029 -9.766 13.438 1.00 0.19 N ATOM 1535 CA GLU A 100 -8.581 -10.990 14.006 1.00 0.19 C ATOM 1536 C GLU A 100 -9.163 -11.866 12.899 1.00 0.18 C ATOM 1537 O GLU A 100 -9.006 -13.086 12.908 1.00 0.19 O ATOM 1538 CB GLU A 100 -9.642 -10.663 15.077 1.00 0.22 C ATOM 1539 CG GLU A 100 -11.072 -10.561 14.556 1.00 0.26 C ATOM 1540 CD GLU A 100 -11.864 -11.838 14.771 1.00 0.96 C ATOM 1541 OE1 GLU A 100 -11.584 -12.836 14.074 1.00 1.63 O ATOM 1542 OE2 GLU A 100 -12.762 -11.838 15.638 1.00 1.68 O ATOM 0 H GLU A 100 -8.463 -8.909 13.780 1.00 0.19 H new ATOM 0 HA GLU A 100 -7.780 -11.545 14.494 1.00 0.19 H new ATOM 0 HB2 GLU A 100 -9.606 -11.432 15.849 1.00 0.22 H new ATOM 0 HB3 GLU A 100 -9.377 -9.719 15.554 1.00 0.22 H new ATOM 0 HG2 GLU A 100 -11.579 -9.735 15.055 1.00 0.26 H new ATOM 0 HG3 GLU A 100 -11.051 -10.326 13.492 1.00 0.26 H new ATOM 1549 N PHE A 101 -9.823 -11.223 11.940 1.00 0.18 N ATOM 1550 CA PHE A 101 -10.428 -11.916 10.810 1.00 0.19 C ATOM 1551 C PHE A 101 -9.374 -12.622 9.959 1.00 0.18 C ATOM 1552 O PHE A 101 -9.548 -13.772 9.550 1.00 0.20 O ATOM 1553 CB PHE A 101 -11.200 -10.912 9.954 1.00 0.23 C ATOM 1554 CG PHE A 101 -12.189 -11.545 9.023 1.00 0.21 C ATOM 1555 CD1 PHE A 101 -13.072 -12.507 9.483 1.00 0.24 C ATOM 1556 CD2 PHE A 101 -12.234 -11.177 7.690 1.00 0.23 C ATOM 1557 CE1 PHE A 101 -13.986 -13.090 8.627 1.00 0.25 C ATOM 1558 CE2 PHE A 101 -13.144 -11.757 6.829 1.00 0.26 C ATOM 1559 CZ PHE A 101 -14.022 -12.715 7.299 1.00 0.25 C ATOM 0 H PHE A 101 -9.952 -10.211 11.925 1.00 0.18 H new ATOM 0 HA PHE A 101 -11.108 -12.675 11.197 1.00 0.19 H new ATOM 0 HB2 PHE A 101 -11.725 -10.218 10.610 1.00 0.23 H new ATOM 0 HB3 PHE A 101 -10.491 -10.325 9.371 1.00 0.23 H new ATOM 0 HD1 PHE A 101 -13.046 -12.804 10.521 1.00 0.24 H new ATOM 0 HD2 PHE A 101 -11.550 -10.428 7.319 1.00 0.23 H new ATOM 0 HE1 PHE A 101 -14.672 -13.838 8.996 1.00 0.25 H new ATOM 0 HE2 PHE A 101 -13.170 -11.463 5.790 1.00 0.26 H new ATOM 0 HZ PHE A 101 -14.736 -13.170 6.628 1.00 0.25 H new ATOM 1569 N LEU A 102 -8.271 -11.923 9.713 1.00 0.18 N ATOM 1570 CA LEU A 102 -7.184 -12.478 8.921 1.00 0.22 C ATOM 1571 C LEU A 102 -6.526 -13.621 9.679 1.00 0.23 C ATOM 1572 O LEU A 102 -6.403 -14.725 9.164 1.00 0.25 O ATOM 1573 CB LEU A 102 -6.153 -11.396 8.592 1.00 0.28 C ATOM 1574 CG LEU A 102 -6.288 -10.790 7.194 1.00 0.30 C ATOM 1575 CD1 LEU A 102 -5.349 -9.606 7.028 1.00 0.51 C ATOM 1576 CD2 LEU A 102 -6.019 -11.843 6.129 1.00 0.22 C ATOM 0 H LEU A 102 -8.108 -10.974 10.050 1.00 0.18 H new ATOM 0 HA LEU A 102 -7.590 -12.859 7.984 1.00 0.22 H new ATOM 0 HB2 LEU A 102 -6.236 -10.597 9.329 1.00 0.28 H new ATOM 0 HB3 LEU A 102 -5.155 -11.821 8.694 1.00 0.28 H new ATOM 0 HG LEU A 102 -7.310 -10.432 7.073 1.00 0.30 H new ATOM 0 HD11 LEU A 102 -5.461 -9.190 6.027 1.00 0.51 H new ATOM 0 HD12 LEU A 102 -5.592 -8.843 7.767 1.00 0.51 H new ATOM 0 HD13 LEU A 102 -4.320 -9.935 7.171 1.00 0.51 H new ATOM 0 HD21 LEU A 102 -6.119 -11.395 5.141 1.00 0.22 H new ATOM 0 HD22 LEU A 102 -5.008 -12.233 6.250 1.00 0.22 H new ATOM 0 HD23 LEU A 102 -6.736 -12.657 6.233 1.00 0.22 H new ATOM 1588 N ASP A 103 -6.123 -13.352 10.917 1.00 0.25 N ATOM 1589 CA ASP A 103 -5.492 -14.369 11.749 1.00 0.31 C ATOM 1590 C ASP A 103 -6.341 -15.639 11.807 1.00 0.29 C ATOM 1591 O ASP A 103 -5.813 -16.751 11.814 1.00 0.33 O ATOM 1592 CB ASP A 103 -5.267 -13.830 13.164 1.00 0.36 C ATOM 1593 CG ASP A 103 -3.938 -14.272 13.743 1.00 0.48 C ATOM 1594 OD1 ASP A 103 -2.893 -13.978 13.124 1.00 1.02 O ATOM 1595 OD2 ASP A 103 -3.940 -14.914 14.816 1.00 1.20 O ATOM 0 H ASP A 103 -6.222 -12.441 11.365 1.00 0.25 H new ATOM 0 HA ASP A 103 -4.530 -14.619 11.301 1.00 0.31 H new ATOM 0 HB2 ASP A 103 -5.309 -12.741 13.147 1.00 0.36 H new ATOM 0 HB3 ASP A 103 -6.074 -14.170 13.813 1.00 0.36 H new ATOM 1600 N ALA A 104 -7.662 -15.463 11.843 1.00 0.24 N ATOM 1601 CA ALA A 104 -8.588 -16.591 11.903 1.00 0.26 C ATOM 1602 C ALA A 104 -8.642 -17.355 10.581 1.00 0.25 C ATOM 1603 O ALA A 104 -9.054 -18.517 10.546 1.00 0.29 O ATOM 1604 CB ALA A 104 -9.979 -16.120 12.290 1.00 0.26 C ATOM 0 H ALA A 104 -8.114 -14.549 11.832 1.00 0.24 H new ATOM 0 HA ALA A 104 -8.216 -17.274 12.667 1.00 0.26 H new ATOM 0 HB1 ALA A 104 -10.655 -16.974 12.329 1.00 0.26 H new ATOM 0 HB2 ALA A 104 -9.942 -15.641 13.269 1.00 0.26 H new ATOM 0 HB3 ALA A 104 -10.340 -15.406 11.550 1.00 0.26 H new ATOM 1610 N ASN A 105 -8.245 -16.706 9.492 1.00 0.23 N ATOM 1611 CA ASN A 105 -8.274 -17.348 8.178 1.00 0.27 C ATOM 1612 C ASN A 105 -6.864 -17.707 7.706 1.00 0.33 C ATOM 1613 O ASN A 105 -6.619 -18.828 7.259 1.00 0.57 O ATOM 1614 CB ASN A 105 -8.957 -16.427 7.167 1.00 0.31 C ATOM 1615 CG ASN A 105 -9.920 -17.177 6.266 1.00 0.48 C ATOM 1616 OD1 ASN A 105 -10.347 -18.287 6.581 1.00 0.52 O ATOM 1617 ND2 ASN A 105 -10.272 -16.572 5.139 1.00 0.72 N ATOM 0 H ASN A 105 -7.902 -15.745 9.489 1.00 0.23 H new ATOM 0 HA ASN A 105 -8.842 -18.274 8.260 1.00 0.27 H new ATOM 0 HB2 ASN A 105 -9.496 -15.643 7.699 1.00 0.31 H new ATOM 0 HB3 ASN A 105 -8.199 -15.935 6.557 1.00 0.31 H new ATOM 0 HD21 ASN A 105 -10.920 -17.028 4.496 1.00 0.72 H new ATOM 0 HD22 ASN A 105 -9.895 -15.651 4.915 1.00 0.72 H new ATOM 1624 N LEU A 106 -5.936 -16.766 7.823 1.00 0.25 N ATOM 1625 CA LEU A 106 -4.548 -17.000 7.428 1.00 0.28 C ATOM 1626 C LEU A 106 -3.955 -18.137 8.245 1.00 0.43 C ATOM 1627 O LEU A 106 -3.399 -17.920 9.322 1.00 1.32 O ATOM 1628 CB LEU A 106 -3.718 -15.745 7.650 1.00 0.23 C ATOM 1629 CG LEU A 106 -2.229 -15.888 7.331 1.00 0.32 C ATOM 1630 CD1 LEU A 106 -2.017 -16.093 5.839 1.00 1.24 C ATOM 1631 CD2 LEU A 106 -1.458 -14.674 7.824 1.00 1.25 C ATOM 0 H LEU A 106 -6.117 -15.831 8.189 1.00 0.25 H new ATOM 0 HA LEU A 106 -4.533 -17.263 6.370 1.00 0.28 H new ATOM 0 HB2 LEU A 106 -4.130 -14.943 7.038 1.00 0.23 H new ATOM 0 HB3 LEU A 106 -3.823 -15.438 8.691 1.00 0.23 H new ATOM 0 HG LEU A 106 -1.849 -16.767 7.851 1.00 0.32 H new ATOM 0 HD11 LEU A 106 -0.951 -16.192 5.633 1.00 1.24 H new ATOM 0 HD12 LEU A 106 -2.534 -16.997 5.519 1.00 1.24 H new ATOM 0 HD13 LEU A 106 -2.413 -15.236 5.294 1.00 1.24 H new ATOM 0 HD21 LEU A 106 -0.401 -14.794 7.588 1.00 1.25 H new ATOM 0 HD22 LEU A 106 -1.839 -13.778 7.335 1.00 1.25 H new ATOM 0 HD23 LEU A 106 -1.580 -14.579 8.903 1.00 1.25 H new