USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 678 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 33 ASN : amide:sc= -1.02! C(o=-3.1!,f=-4.4!) USER MOD Set 1.2: A 54 ASN : amide:sc= -1.96! C(o=-3.1!,f=-6.3!) USER MOD Set 1.3: A 79 MET CE :methyl 158:sc= -0.073 (180deg=-0.726) USER MOD Set 2.1: A 43 ASN : amide:sc= -0.707 K(o=-0.75,f=0.31) USER MOD Set 2.2: A 48 SER OG : rot -170:sc= -0.0388 USER MOD Single : A 15 ASN : amide:sc= -0.0788 K(o=-0.079,f=-2.2!) USER MOD Single : A 17 GLN : amide:sc= -3.31! X(o=-3.3!,f=-3.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 147:sc= -0.0871 (180deg=-0.489) USER MOD Single : A 22 THR OG1 : rot 78:sc= 0.556 USER MOD Single : A 24 TYR OH : rot 153:sc= -0.253 USER MOD Single : A 26 LYS NZ :NH3+ 134:sc= -0.0772 (180deg=-0.602) USER MOD Single : A 27 HIS : no HE2:sc= -3.36! C(o=-3.4!,f=-5.1!) USER MOD Single : A 28 ASN : amide:sc= -6.74! C(o=-6.7!,f=-7!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0596 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0469 USER MOD Single : A 39 ASN : amide:sc= -0.0695 K(o=-0.07,f=-1.9!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0699 K(o=-0.07,f=-1.4!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.31! K(o=-1.3!,f=-0.077) USER MOD Single : A 60 SER OG : rot 52:sc= 0.572 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= -1.88 (180deg=-2.08) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -180:sc= 0.464 USER MOD Single : A 78 LYS NZ :NH3+ 149:sc= 0.078 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.6 K(o=-1.6,f=-1.1) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -0.938 K(o=-0.94,f=-1.7) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 95 HIS : no HD1:sc= -0.848 X(o=-0.85,f=-0.52) USER MOD Single : A 96 HIS : no HD1:sc= -0.882 K(o=-0.88,f=-1.8) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 98 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 12 -6.501 13.260 -13.701 1.00 0.00 N ATOM 2 CA ALA A 12 -6.553 11.775 -13.616 1.00 0.00 C ATOM 3 C ALA A 12 -7.068 11.352 -12.240 1.00 0.00 C ATOM 4 O ALA A 12 -6.413 11.540 -11.231 1.00 0.00 O ATOM 5 CB ALA A 12 -5.149 11.208 -13.836 1.00 0.00 C ATOM 0 HA ALA A 12 -7.227 11.391 -14.382 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.182 10.120 -13.775 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.787 11.505 -14.820 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.476 11.594 -13.070 1.00 0.00 H new ATOM 11 N PHE A 13 -8.237 10.780 -12.200 1.00 0.00 N ATOM 12 CA PHE A 13 -8.821 10.331 -10.904 1.00 0.00 C ATOM 13 C PHE A 13 -7.921 9.254 -10.291 1.00 0.00 C ATOM 14 O PHE A 13 -7.915 9.032 -9.094 1.00 0.00 O ATOM 15 CB PHE A 13 -10.210 9.749 -11.171 1.00 0.00 C ATOM 16 CG PHE A 13 -10.820 9.266 -9.878 1.00 0.00 C ATOM 17 CD1 PHE A 13 -11.348 10.191 -8.971 1.00 0.00 C ATOM 18 CD2 PHE A 13 -10.860 7.897 -9.588 1.00 0.00 C ATOM 19 CE1 PHE A 13 -11.914 9.747 -7.771 1.00 0.00 C ATOM 20 CE2 PHE A 13 -11.427 7.453 -8.387 1.00 0.00 C ATOM 21 CZ PHE A 13 -11.954 8.377 -7.479 1.00 0.00 C ATOM 0 H PHE A 13 -8.820 10.602 -13.018 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.897 11.171 -10.213 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -10.850 10.505 -11.625 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -10.138 8.924 -11.880 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -11.319 11.247 -9.197 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.454 7.184 -10.290 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -12.320 10.460 -7.069 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -11.457 6.397 -8.162 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.392 8.035 -6.553 1.00 0.00 H new ATOM 31 N PHE A 14 -7.167 8.582 -11.111 1.00 0.00 N ATOM 32 CA PHE A 14 -6.261 7.511 -10.608 1.00 0.00 C ATOM 33 C PHE A 14 -5.171 8.113 -9.711 1.00 0.00 C ATOM 34 O PHE A 14 -4.761 7.517 -8.733 1.00 0.00 O ATOM 35 CB PHE A 14 -5.610 6.812 -11.802 1.00 0.00 C ATOM 36 CG PHE A 14 -6.658 6.032 -12.560 1.00 0.00 C ATOM 37 CD1 PHE A 14 -7.061 4.775 -12.095 1.00 0.00 C ATOM 38 CD2 PHE A 14 -7.230 6.566 -13.721 1.00 0.00 C ATOM 39 CE1 PHE A 14 -8.035 4.052 -12.791 1.00 0.00 C ATOM 40 CE2 PHE A 14 -8.206 5.843 -14.417 1.00 0.00 C ATOM 41 CZ PHE A 14 -8.608 4.585 -13.952 1.00 0.00 C ATOM 0 H PHE A 14 -7.138 8.729 -12.120 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.839 6.795 -10.024 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.143 7.547 -12.458 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.820 6.143 -11.460 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.620 4.364 -11.199 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.918 7.536 -14.080 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.345 3.082 -12.433 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.648 6.255 -15.312 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.360 4.026 -14.489 1.00 0.00 H new ATOM 51 N ASN A 15 -4.691 9.281 -10.040 1.00 0.00 N ATOM 52 CA ASN A 15 -3.620 9.911 -9.209 1.00 0.00 C ATOM 53 C ASN A 15 -4.147 10.174 -7.793 1.00 0.00 C ATOM 54 O ASN A 15 -3.459 9.969 -6.811 1.00 0.00 O ATOM 55 CB ASN A 15 -3.201 11.241 -9.845 1.00 0.00 C ATOM 56 CG ASN A 15 -2.310 10.980 -11.063 1.00 0.00 C ATOM 57 OD1 ASN A 15 -1.799 9.890 -11.237 1.00 0.00 O ATOM 58 ND2 ASN A 15 -2.098 11.944 -11.919 1.00 0.00 N ATOM 0 H ASN A 15 -4.992 9.828 -10.847 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.764 9.239 -9.157 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.084 11.805 -10.144 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.666 11.850 -9.116 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.504 11.782 -12.733 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.526 12.858 -11.774 1.00 0.00 H new ATOM 65 N GLU A 16 -5.363 10.634 -7.691 1.00 0.00 N ATOM 66 CA GLU A 16 -5.954 10.926 -6.350 1.00 0.00 C ATOM 67 C GLU A 16 -6.143 9.629 -5.554 1.00 0.00 C ATOM 68 O GLU A 16 -5.920 9.583 -4.359 1.00 0.00 O ATOM 69 CB GLU A 16 -7.312 11.602 -6.544 1.00 0.00 C ATOM 70 CG GLU A 16 -7.110 13.007 -7.115 1.00 0.00 C ATOM 71 CD GLU A 16 -8.471 13.652 -7.395 1.00 0.00 C ATOM 72 OE1 GLU A 16 -9.476 13.011 -7.134 1.00 0.00 O ATOM 73 OE2 GLU A 16 -8.484 14.777 -7.869 1.00 0.00 O ATOM 0 H GLU A 16 -5.978 10.822 -8.482 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.281 11.581 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.931 11.010 -7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.841 11.658 -5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.545 13.618 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.525 12.956 -8.033 1.00 0.00 H new ATOM 80 N GLN A 17 -6.566 8.583 -6.206 1.00 0.00 N ATOM 81 CA GLN A 17 -6.782 7.290 -5.491 1.00 0.00 C ATOM 82 C GLN A 17 -5.446 6.756 -4.964 1.00 0.00 C ATOM 83 O GLN A 17 -5.356 6.244 -3.865 1.00 0.00 O ATOM 84 CB GLN A 17 -7.383 6.276 -6.466 1.00 0.00 C ATOM 85 CG GLN A 17 -8.784 6.726 -6.891 1.00 0.00 C ATOM 86 CD GLN A 17 -9.726 6.675 -5.685 1.00 0.00 C ATOM 87 OE1 GLN A 17 -9.895 5.638 -5.074 1.00 0.00 O ATOM 88 NE2 GLN A 17 -10.345 7.760 -5.311 1.00 0.00 N ATOM 0 H GLN A 17 -6.772 8.565 -7.205 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.460 7.448 -4.652 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.742 6.177 -7.342 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.434 5.294 -5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.746 7.738 -7.293 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.159 6.081 -7.686 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.203 8.630 -5.824 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.971 7.738 -4.506 1.00 0.00 H new ATOM 97 N LYS A 18 -4.407 6.871 -5.746 1.00 0.00 N ATOM 98 CA LYS A 18 -3.071 6.373 -5.303 1.00 0.00 C ATOM 99 C LYS A 18 -2.588 7.165 -4.085 1.00 0.00 C ATOM 100 O LYS A 18 -2.024 6.615 -3.158 1.00 0.00 O ATOM 101 CB LYS A 18 -2.063 6.545 -6.439 1.00 0.00 C ATOM 102 CG LYS A 18 -2.349 5.531 -7.551 1.00 0.00 C ATOM 103 CD LYS A 18 -1.239 5.594 -8.612 1.00 0.00 C ATOM 104 CE LYS A 18 -1.360 6.880 -9.435 1.00 0.00 C ATOM 105 NZ LYS A 18 -0.506 6.774 -10.652 1.00 0.00 N ATOM 0 H LYS A 18 -4.425 7.290 -6.676 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.159 5.320 -5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.120 7.558 -6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.050 6.407 -6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.408 4.526 -7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.315 5.743 -8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.263 5.554 -8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.305 4.727 -9.269 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.399 7.045 -9.720 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.053 7.738 -8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.588 7.647 -11.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.485 6.636 -10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.818 5.965 -11.226 1.00 0.00 H new ATOM 119 N GLU A 19 -2.791 8.452 -4.087 1.00 0.00 N ATOM 120 CA GLU A 19 -2.332 9.285 -2.937 1.00 0.00 C ATOM 121 C GLU A 19 -3.081 8.875 -1.666 1.00 0.00 C ATOM 122 O GLU A 19 -2.505 8.776 -0.599 1.00 0.00 O ATOM 123 CB GLU A 19 -2.611 10.758 -3.244 1.00 0.00 C ATOM 124 CG GLU A 19 -1.687 11.236 -4.368 1.00 0.00 C ATOM 125 CD GLU A 19 -2.029 12.680 -4.743 1.00 0.00 C ATOM 126 OE1 GLU A 19 -2.927 13.235 -4.133 1.00 0.00 O ATOM 127 OE2 GLU A 19 -1.385 13.206 -5.636 1.00 0.00 O ATOM 0 H GLU A 19 -3.256 8.966 -4.836 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.263 9.136 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.653 10.887 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.454 11.362 -2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.647 11.170 -4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.794 10.589 -5.239 1.00 0.00 H new ATOM 134 N LYS A 20 -4.359 8.638 -1.773 1.00 0.00 N ATOM 135 CA LYS A 20 -5.152 8.234 -0.573 1.00 0.00 C ATOM 136 C LYS A 20 -4.655 6.881 -0.056 1.00 0.00 C ATOM 137 O LYS A 20 -4.514 6.667 1.134 1.00 0.00 O ATOM 138 CB LYS A 20 -6.627 8.111 -0.961 1.00 0.00 C ATOM 139 CG LYS A 20 -7.193 9.493 -1.298 1.00 0.00 C ATOM 140 CD LYS A 20 -8.673 9.362 -1.667 1.00 0.00 C ATOM 141 CE LYS A 20 -9.267 10.751 -1.906 1.00 0.00 C ATOM 142 NZ LYS A 20 -8.586 11.392 -3.066 1.00 0.00 N ATOM 0 H LYS A 20 -4.891 8.706 -2.640 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.034 8.986 0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.733 7.446 -1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.192 7.667 -0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.078 10.163 -0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.638 9.933 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.782 8.750 -2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.214 8.857 -0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.337 10.672 -2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.147 11.367 -1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.262 11.996 -3.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.792 11.971 -2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.228 10.656 -3.708 1.00 0.00 H new ATOM 156 N VAL A 21 -4.394 5.965 -0.948 1.00 0.00 N ATOM 157 CA VAL A 21 -3.908 4.617 -0.530 1.00 0.00 C ATOM 158 C VAL A 21 -2.531 4.748 0.128 1.00 0.00 C ATOM 159 O VAL A 21 -2.248 4.127 1.136 1.00 0.00 O ATOM 160 CB VAL A 21 -3.804 3.716 -1.763 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.149 2.386 -1.379 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.203 3.447 -2.323 1.00 0.00 C ATOM 0 H VAL A 21 -4.497 6.092 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.606 4.181 0.184 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.197 4.215 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.077 1.748 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.150 2.573 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.753 1.889 -0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.126 2.805 -3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.810 2.953 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.670 4.391 -2.603 1.00 0.00 H new ATOM 172 N THR A 22 -1.672 5.544 -0.447 1.00 0.00 N ATOM 173 CA THR A 22 -0.306 5.722 0.124 1.00 0.00 C ATOM 174 C THR A 22 -0.414 6.303 1.533 1.00 0.00 C ATOM 175 O THR A 22 0.252 5.865 2.451 1.00 0.00 O ATOM 176 CB THR A 22 0.486 6.689 -0.761 1.00 0.00 C ATOM 177 OG1 THR A 22 0.628 6.133 -2.060 1.00 0.00 O ATOM 178 CG2 THR A 22 1.870 6.939 -0.157 1.00 0.00 C ATOM 0 H THR A 22 -1.858 6.082 -1.293 1.00 0.00 H new ATOM 0 HA THR A 22 0.201 4.758 0.166 1.00 0.00 H new ATOM 0 HB THR A 22 -0.050 7.636 -0.825 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.210 6.243 -2.556 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.426 7.628 -0.793 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.760 7.372 0.837 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.411 5.996 -0.084 1.00 0.00 H new ATOM 186 N LEU A 23 -1.247 7.289 1.708 1.00 0.00 N ATOM 187 CA LEU A 23 -1.399 7.901 3.056 1.00 0.00 C ATOM 188 C LEU A 23 -1.938 6.853 4.031 1.00 0.00 C ATOM 189 O LEU A 23 -1.491 6.746 5.157 1.00 0.00 O ATOM 190 CB LEU A 23 -2.383 9.075 2.968 1.00 0.00 C ATOM 191 CG LEU A 23 -2.604 9.689 4.360 1.00 0.00 C ATOM 192 CD1 LEU A 23 -1.259 10.116 4.970 1.00 0.00 C ATOM 193 CD2 LEU A 23 -3.527 10.910 4.235 1.00 0.00 C ATOM 0 H LEU A 23 -1.829 7.697 0.977 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.432 8.260 3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.997 9.832 2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.333 8.732 2.559 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.065 8.946 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.428 10.549 5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.609 9.246 5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.785 10.856 4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.686 11.348 5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.066 11.649 3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.485 10.601 3.816 1.00 0.00 H new ATOM 205 N TYR A 24 -2.897 6.086 3.599 1.00 0.00 N ATOM 206 CA TYR A 24 -3.482 5.039 4.481 1.00 0.00 C ATOM 207 C TYR A 24 -2.396 4.033 4.880 1.00 0.00 C ATOM 208 O TYR A 24 -2.249 3.682 6.034 1.00 0.00 O ATOM 209 CB TYR A 24 -4.596 4.318 3.711 1.00 0.00 C ATOM 210 CG TYR A 24 -5.059 3.107 4.486 1.00 0.00 C ATOM 211 CD1 TYR A 24 -6.053 3.235 5.462 1.00 0.00 C ATOM 212 CD2 TYR A 24 -4.488 1.856 4.225 1.00 0.00 C ATOM 213 CE1 TYR A 24 -6.476 2.109 6.178 1.00 0.00 C ATOM 214 CE2 TYR A 24 -4.909 0.731 4.943 1.00 0.00 C ATOM 215 CZ TYR A 24 -5.903 0.858 5.920 1.00 0.00 C ATOM 216 OH TYR A 24 -6.316 -0.250 6.630 1.00 0.00 O ATOM 0 H TYR A 24 -3.304 6.139 2.665 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.888 5.496 5.383 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.433 4.996 3.546 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.233 4.015 2.729 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.493 4.201 5.663 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.722 1.759 3.469 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.245 2.205 6.930 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.467 -0.234 4.743 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.176 -1.056 6.090 1.00 0.00 H new ATOM 226 N LEU A 25 -1.642 3.566 3.927 1.00 0.00 N ATOM 227 CA LEU A 25 -0.567 2.577 4.233 1.00 0.00 C ATOM 228 C LEU A 25 0.497 3.229 5.117 1.00 0.00 C ATOM 229 O LEU A 25 1.031 2.617 6.023 1.00 0.00 O ATOM 230 CB LEU A 25 0.078 2.115 2.924 1.00 0.00 C ATOM 231 CG LEU A 25 -0.934 1.313 2.091 1.00 0.00 C ATOM 232 CD1 LEU A 25 -0.375 1.102 0.679 1.00 0.00 C ATOM 233 CD2 LEU A 25 -1.213 -0.054 2.743 1.00 0.00 C ATOM 0 H LEU A 25 -1.722 3.826 2.944 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.997 1.723 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.425 2.978 2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.953 1.501 3.137 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.869 1.872 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.091 0.533 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.201 2.070 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.565 0.553 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.932 -0.606 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.285 -0.621 2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.620 0.096 3.743 1.00 0.00 H new ATOM 245 N LYS A 26 0.821 4.463 4.850 1.00 0.00 N ATOM 246 CA LYS A 26 1.865 5.156 5.658 1.00 0.00 C ATOM 247 C LYS A 26 1.441 5.200 7.129 1.00 0.00 C ATOM 248 O LYS A 26 2.220 4.918 8.020 1.00 0.00 O ATOM 249 CB LYS A 26 2.031 6.584 5.137 1.00 0.00 C ATOM 250 CG LYS A 26 3.195 7.262 5.861 1.00 0.00 C ATOM 251 CD LYS A 26 3.407 8.668 5.292 1.00 0.00 C ATOM 252 CE LYS A 26 4.587 9.335 6.003 1.00 0.00 C ATOM 253 NZ LYS A 26 5.833 8.566 5.723 1.00 0.00 N ATOM 0 H LYS A 26 0.407 5.024 4.105 1.00 0.00 H new ATOM 0 HA LYS A 26 2.808 4.616 5.573 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.216 6.571 4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.112 7.149 5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.988 7.319 6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.103 6.671 5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.599 8.613 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.505 9.265 5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.697 10.364 5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.404 9.374 7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.597 9.224 5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.107 8.028 6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.665 7.909 4.935 1.00 0.00 H new ATOM 267 N HIS A 27 0.212 5.547 7.387 1.00 0.00 N ATOM 268 CA HIS A 27 -0.275 5.607 8.795 1.00 0.00 C ATOM 269 C HIS A 27 -0.488 4.188 9.330 1.00 0.00 C ATOM 270 O HIS A 27 -0.317 3.919 10.504 1.00 0.00 O ATOM 271 CB HIS A 27 -1.594 6.376 8.842 1.00 0.00 C ATOM 272 CG HIS A 27 -1.333 7.841 8.624 1.00 0.00 C ATOM 273 ND1 HIS A 27 -0.270 8.497 9.224 1.00 0.00 N ATOM 274 CD2 HIS A 27 -1.992 8.792 7.884 1.00 0.00 C ATOM 275 CE1 HIS A 27 -0.319 9.784 8.838 1.00 0.00 C ATOM 276 NE2 HIS A 27 -1.349 10.018 8.020 1.00 0.00 N ATOM 0 H HIS A 27 -0.481 5.793 6.680 1.00 0.00 H new ATOM 0 HA HIS A 27 0.466 6.115 9.413 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.273 6.000 8.077 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -2.082 6.223 9.805 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.423 8.080 9.845 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.875 8.615 7.288 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.389 10.537 9.151 1.00 0.00 H new ATOM 284 N ASN A 28 -0.875 3.281 8.474 1.00 0.00 N ATOM 285 CA ASN A 28 -1.116 1.877 8.919 1.00 0.00 C ATOM 286 C ASN A 28 0.193 1.088 8.860 1.00 0.00 C ATOM 287 O ASN A 28 0.254 -0.070 9.233 1.00 0.00 O ATOM 288 CB ASN A 28 -2.138 1.227 7.986 1.00 0.00 C ATOM 289 CG ASN A 28 -3.491 1.927 8.136 1.00 0.00 C ATOM 290 OD1 ASN A 28 -4.046 2.416 7.170 1.00 0.00 O ATOM 291 ND2 ASN A 28 -4.052 1.994 9.312 1.00 0.00 N ATOM 0 H ASN A 28 -1.035 3.452 7.481 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.493 1.877 9.942 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.796 1.293 6.953 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.238 0.167 8.221 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.955 2.456 9.421 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.588 1.584 10.123 1.00 0.00 H new ATOM 298 N ILE A 29 1.246 1.707 8.399 1.00 0.00 N ATOM 299 CA ILE A 29 2.560 1.004 8.318 1.00 0.00 C ATOM 300 C ILE A 29 3.686 2.017 8.568 1.00 0.00 C ATOM 301 O ILE A 29 4.193 2.623 7.647 1.00 0.00 O ATOM 302 CB ILE A 29 2.737 0.388 6.928 1.00 0.00 C ATOM 303 CG1 ILE A 29 1.490 -0.424 6.564 1.00 0.00 C ATOM 304 CG2 ILE A 29 3.960 -0.537 6.943 1.00 0.00 C ATOM 305 CD1 ILE A 29 1.727 -1.170 5.250 1.00 0.00 C ATOM 0 H ILE A 29 1.253 2.674 8.073 1.00 0.00 H new ATOM 0 HA ILE A 29 2.594 0.214 9.068 1.00 0.00 H new ATOM 0 HB ILE A 29 2.880 1.179 6.192 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.261 -1.133 7.360 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.629 0.237 6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.093 -0.980 5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.848 0.038 7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.809 -1.327 7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.838 -1.747 4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.935 -0.452 4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.577 -1.843 5.362 1.00 0.00 H new ATOM 317 N PRO A 30 4.082 2.198 9.803 1.00 0.00 N ATOM 318 CA PRO A 30 5.177 3.150 10.163 1.00 0.00 C ATOM 319 C PRO A 30 6.464 2.840 9.387 1.00 0.00 C ATOM 320 O PRO A 30 7.260 3.712 9.094 1.00 0.00 O ATOM 321 CB PRO A 30 5.383 2.921 11.671 1.00 0.00 C ATOM 322 CG PRO A 30 4.099 2.326 12.160 1.00 0.00 C ATOM 323 CD PRO A 30 3.531 1.524 10.989 1.00 0.00 C ATOM 0 HA PRO A 30 4.926 4.182 9.919 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.222 2.251 11.856 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.603 3.857 12.184 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.271 1.685 13.025 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.403 3.104 12.473 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.837 0.479 11.034 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.441 1.537 10.986 1.00 0.00 H new ATOM 331 N ASP A 31 6.664 1.592 9.061 1.00 0.00 N ATOM 332 CA ASP A 31 7.885 1.189 8.309 1.00 0.00 C ATOM 333 C ASP A 31 7.640 1.387 6.809 1.00 0.00 C ATOM 334 O ASP A 31 8.352 0.861 5.973 1.00 0.00 O ATOM 335 CB ASP A 31 8.190 -0.284 8.596 1.00 0.00 C ATOM 336 CG ASP A 31 8.603 -0.446 10.062 1.00 0.00 C ATOM 337 OD1 ASP A 31 8.890 0.561 10.690 1.00 0.00 O ATOM 338 OD2 ASP A 31 8.624 -1.572 10.531 1.00 0.00 O ATOM 0 H ASP A 31 6.027 0.828 9.286 1.00 0.00 H new ATOM 0 HA ASP A 31 8.733 1.800 8.620 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.313 -0.895 8.385 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.988 -0.635 7.942 1.00 0.00 H new ATOM 343 N PHE A 32 6.627 2.136 6.468 1.00 0.00 N ATOM 344 CA PHE A 32 6.310 2.373 5.032 1.00 0.00 C ATOM 345 C PHE A 32 7.513 2.992 4.313 1.00 0.00 C ATOM 346 O PHE A 32 8.074 3.980 4.747 1.00 0.00 O ATOM 347 CB PHE A 32 5.119 3.329 4.939 1.00 0.00 C ATOM 348 CG PHE A 32 4.890 3.734 3.503 1.00 0.00 C ATOM 349 CD1 PHE A 32 5.664 4.753 2.934 1.00 0.00 C ATOM 350 CD2 PHE A 32 3.910 3.091 2.740 1.00 0.00 C ATOM 351 CE1 PHE A 32 5.458 5.127 1.603 1.00 0.00 C ATOM 352 CE2 PHE A 32 3.704 3.465 1.408 1.00 0.00 C ATOM 353 CZ PHE A 32 4.479 4.483 0.839 1.00 0.00 C ATOM 0 H PHE A 32 6.001 2.597 7.128 1.00 0.00 H new ATOM 0 HA PHE A 32 6.070 1.422 4.557 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.225 2.848 5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.304 4.213 5.549 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.420 5.250 3.524 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.312 2.306 3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.055 5.913 1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.947 2.969 0.819 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.321 4.771 -0.190 1.00 0.00 H new ATOM 363 N ASN A 33 7.899 2.412 3.202 1.00 0.00 N ATOM 364 CA ASN A 33 9.052 2.942 2.411 1.00 0.00 C ATOM 365 C ASN A 33 8.546 3.463 1.066 1.00 0.00 C ATOM 366 O ASN A 33 8.624 4.640 0.769 1.00 0.00 O ATOM 367 CB ASN A 33 10.046 1.812 2.152 1.00 0.00 C ATOM 368 CG ASN A 33 10.781 1.462 3.446 1.00 0.00 C ATOM 369 OD1 ASN A 33 10.785 2.234 4.385 1.00 0.00 O ATOM 370 ND2 ASN A 33 11.409 0.323 3.533 1.00 0.00 N ATOM 0 H ASN A 33 7.457 1.583 2.805 1.00 0.00 H new ATOM 0 HA ASN A 33 9.534 3.747 2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.522 0.935 1.772 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.761 2.113 1.387 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.905 0.078 4.390 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.404 -0.323 2.744 1.00 0.00 H new ATOM 377 N THR A 34 8.037 2.584 0.244 1.00 0.00 N ATOM 378 CA THR A 34 7.533 3.013 -1.091 1.00 0.00 C ATOM 379 C THR A 34 6.404 2.086 -1.539 1.00 0.00 C ATOM 380 O THR A 34 6.279 0.970 -1.072 1.00 0.00 O ATOM 381 CB THR A 34 8.671 2.958 -2.113 1.00 0.00 C ATOM 382 OG1 THR A 34 8.157 3.248 -3.404 1.00 0.00 O ATOM 383 CG2 THR A 34 9.301 1.563 -2.115 1.00 0.00 C ATOM 0 H THR A 34 7.949 1.587 0.441 1.00 0.00 H new ATOM 0 HA THR A 34 7.157 4.034 -1.020 1.00 0.00 H new ATOM 0 HB THR A 34 9.431 3.693 -1.847 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.884 3.215 -4.060 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.110 1.530 -2.844 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.697 1.341 -1.124 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.545 0.823 -2.378 1.00 0.00 H new ATOM 391 N VAL A 35 5.578 2.547 -2.447 1.00 0.00 N ATOM 392 CA VAL A 35 4.442 1.715 -2.945 1.00 0.00 C ATOM 393 C VAL A 35 4.443 1.716 -4.472 1.00 0.00 C ATOM 394 O VAL A 35 4.611 2.741 -5.105 1.00 0.00 O ATOM 395 CB VAL A 35 3.121 2.291 -2.429 1.00 0.00 C ATOM 396 CG1 VAL A 35 3.041 3.790 -2.738 1.00 0.00 C ATOM 397 CG2 VAL A 35 1.949 1.569 -3.101 1.00 0.00 C ATOM 0 H VAL A 35 5.645 3.474 -2.867 1.00 0.00 H new ATOM 0 HA VAL A 35 4.553 0.692 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 35 3.071 2.147 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.097 4.188 -2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.869 4.306 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.100 3.943 -3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.009 1.980 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.007 1.707 -4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.996 0.505 -2.869 1.00 0.00 H new ATOM 407 N THR A 36 4.254 0.561 -5.066 1.00 0.00 N ATOM 408 CA THR A 36 4.236 0.460 -6.556 1.00 0.00 C ATOM 409 C THR A 36 2.928 -0.190 -7.004 1.00 0.00 C ATOM 410 O THR A 36 2.585 -1.289 -6.595 1.00 0.00 O ATOM 411 CB THR A 36 5.413 -0.395 -7.018 1.00 0.00 C ATOM 412 OG1 THR A 36 6.628 0.201 -6.578 1.00 0.00 O ATOM 413 CG2 THR A 36 5.410 -0.481 -8.543 1.00 0.00 C ATOM 0 H THR A 36 4.111 -0.322 -4.576 1.00 0.00 H new ATOM 0 HA THR A 36 4.315 1.456 -6.992 1.00 0.00 H new ATOM 0 HB THR A 36 5.325 -1.397 -6.598 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.386 -0.346 -6.872 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.250 -1.091 -8.875 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.477 -0.933 -8.880 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.500 0.520 -8.964 1.00 0.00 H new ATOM 421 N PHE A 37 2.195 0.487 -7.852 1.00 0.00 N ATOM 422 CA PHE A 37 0.904 -0.064 -8.355 1.00 0.00 C ATOM 423 C PHE A 37 1.137 -0.740 -9.704 1.00 0.00 C ATOM 424 O PHE A 37 1.838 -0.231 -10.556 1.00 0.00 O ATOM 425 CB PHE A 37 -0.100 1.077 -8.529 1.00 0.00 C ATOM 426 CG PHE A 37 -0.280 1.792 -7.212 1.00 0.00 C ATOM 427 CD1 PHE A 37 -1.200 1.306 -6.275 1.00 0.00 C ATOM 428 CD2 PHE A 37 0.472 2.937 -6.925 1.00 0.00 C ATOM 429 CE1 PHE A 37 -1.368 1.966 -5.053 1.00 0.00 C ATOM 430 CE2 PHE A 37 0.303 3.597 -5.701 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.616 3.111 -4.765 1.00 0.00 C ATOM 0 H PHE A 37 2.440 1.406 -8.219 1.00 0.00 H new ATOM 0 HA PHE A 37 0.513 -0.790 -7.642 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.253 1.774 -9.289 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.056 0.685 -8.876 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.780 0.422 -6.496 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.182 3.312 -7.647 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.079 1.592 -4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.882 4.481 -5.480 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.745 3.619 -3.821 1.00 0.00 H new ATOM 441 N THR A 38 0.544 -1.885 -9.908 1.00 0.00 N ATOM 442 CA THR A 38 0.711 -2.605 -11.201 1.00 0.00 C ATOM 443 C THR A 38 -0.581 -3.358 -11.516 1.00 0.00 C ATOM 444 O THR A 38 -0.980 -3.470 -12.661 1.00 0.00 O ATOM 445 CB THR A 38 1.870 -3.604 -11.091 1.00 0.00 C ATOM 446 OG1 THR A 38 1.485 -4.679 -10.248 1.00 0.00 O ATOM 447 CG2 THR A 38 3.097 -2.907 -10.503 1.00 0.00 C ATOM 0 H THR A 38 -0.054 -2.355 -9.228 1.00 0.00 H new ATOM 0 HA THR A 38 0.930 -1.891 -11.995 1.00 0.00 H new ATOM 0 HB THR A 38 2.115 -3.986 -12.082 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.223 -5.320 -10.177 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.918 -3.620 -10.426 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.392 -2.082 -11.151 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.857 -2.522 -9.512 1.00 0.00 H new ATOM 455 N ASN A 39 -1.243 -3.882 -10.508 1.00 0.00 N ATOM 456 CA ASN A 39 -2.512 -4.639 -10.744 1.00 0.00 C ATOM 457 C ASN A 39 -3.722 -3.781 -10.366 1.00 0.00 C ATOM 458 O ASN A 39 -3.684 -3.000 -9.433 1.00 0.00 O ATOM 459 CB ASN A 39 -2.505 -5.910 -9.895 1.00 0.00 C ATOM 460 CG ASN A 39 -1.513 -6.913 -10.485 1.00 0.00 C ATOM 461 OD1 ASN A 39 -1.146 -6.817 -11.641 1.00 0.00 O ATOM 462 ND2 ASN A 39 -1.058 -7.878 -9.735 1.00 0.00 N ATOM 0 H ASN A 39 -0.956 -3.816 -9.531 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.580 -4.897 -11.801 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.230 -5.672 -8.867 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.504 -6.345 -9.865 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.395 -8.552 -10.118 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.365 -7.959 -8.766 1.00 0.00 H new ATOM 469 N GLU A 40 -4.803 -3.930 -11.085 1.00 0.00 N ATOM 470 CA GLU A 40 -6.024 -3.136 -10.776 1.00 0.00 C ATOM 471 C GLU A 40 -7.208 -3.685 -11.571 1.00 0.00 C ATOM 472 O GLU A 40 -7.072 -4.114 -12.700 1.00 0.00 O ATOM 473 CB GLU A 40 -5.801 -1.663 -11.138 1.00 0.00 C ATOM 474 CG GLU A 40 -5.373 -1.531 -12.604 1.00 0.00 C ATOM 475 CD GLU A 40 -6.592 -1.673 -13.521 1.00 0.00 C ATOM 476 OE1 GLU A 40 -7.655 -1.212 -13.139 1.00 0.00 O ATOM 477 OE2 GLU A 40 -6.439 -2.231 -14.596 1.00 0.00 O ATOM 0 H GLU A 40 -4.891 -4.570 -11.875 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.235 -3.212 -9.709 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.717 -1.098 -10.968 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.037 -1.234 -10.490 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.896 -0.564 -12.766 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.635 -2.295 -12.846 1.00 0.00 H new ATOM 484 N GLU A 41 -8.378 -3.672 -10.981 1.00 0.00 N ATOM 485 CA GLU A 41 -9.592 -4.187 -11.682 1.00 0.00 C ATOM 486 C GLU A 41 -10.777 -3.260 -11.391 1.00 0.00 C ATOM 487 O GLU A 41 -10.837 -2.610 -10.364 1.00 0.00 O ATOM 488 CB GLU A 41 -9.905 -5.604 -11.192 1.00 0.00 C ATOM 489 CG GLU A 41 -11.117 -6.147 -11.951 1.00 0.00 C ATOM 490 CD GLU A 41 -11.386 -7.592 -11.529 1.00 0.00 C ATOM 491 OE1 GLU A 41 -10.505 -8.190 -10.934 1.00 0.00 O ATOM 492 OE2 GLU A 41 -12.469 -8.078 -11.812 1.00 0.00 O ATOM 0 H GLU A 41 -8.544 -3.324 -10.037 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.411 -4.214 -12.757 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.043 -6.253 -11.348 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.107 -5.594 -10.121 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.992 -5.530 -11.747 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.937 -6.099 -13.025 1.00 0.00 H new ATOM 499 N PHE A 42 -11.720 -3.187 -12.297 1.00 0.00 N ATOM 500 CA PHE A 42 -12.899 -2.292 -12.095 1.00 0.00 C ATOM 501 C PHE A 42 -14.015 -3.055 -11.394 1.00 0.00 C ATOM 502 O PHE A 42 -14.524 -4.041 -11.890 1.00 0.00 O ATOM 503 CB PHE A 42 -13.401 -1.803 -13.450 1.00 0.00 C ATOM 504 CG PHE A 42 -12.291 -1.059 -14.148 1.00 0.00 C ATOM 505 CD1 PHE A 42 -12.102 0.305 -13.899 1.00 0.00 C ATOM 506 CD2 PHE A 42 -11.449 -1.731 -15.040 1.00 0.00 C ATOM 507 CE1 PHE A 42 -11.071 0.997 -14.542 1.00 0.00 C ATOM 508 CE2 PHE A 42 -10.416 -1.038 -15.685 1.00 0.00 C ATOM 509 CZ PHE A 42 -10.228 0.327 -15.436 1.00 0.00 C ATOM 0 H PHE A 42 -11.723 -3.712 -13.172 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.602 -1.442 -11.481 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.728 -2.647 -14.057 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.265 -1.152 -13.318 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -12.753 0.823 -13.210 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.595 -2.784 -15.232 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.925 2.049 -14.349 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.765 -1.556 -16.374 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.433 0.863 -15.934 1.00 0.00 H new ATOM 519 N ASN A 43 -14.396 -2.603 -10.230 1.00 0.00 N ATOM 520 CA ASN A 43 -15.470 -3.296 -9.476 1.00 0.00 C ATOM 521 C ASN A 43 -16.840 -2.703 -9.848 1.00 0.00 C ATOM 522 O ASN A 43 -16.941 -1.579 -10.296 1.00 0.00 O ATOM 523 CB ASN A 43 -15.219 -3.123 -7.959 1.00 0.00 C ATOM 524 CG ASN A 43 -14.643 -4.413 -7.370 1.00 0.00 C ATOM 525 OD1 ASN A 43 -14.919 -4.757 -6.237 1.00 0.00 O ATOM 526 ND2 ASN A 43 -13.857 -5.145 -8.105 1.00 0.00 N ATOM 0 H ASN A 43 -14.006 -1.780 -9.770 1.00 0.00 H new ATOM 0 HA ASN A 43 -15.465 -4.356 -9.729 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.529 -2.297 -7.789 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -16.151 -2.869 -7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.470 -6.011 -7.731 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.628 -4.852 -9.055 1.00 0.00 H new ATOM 533 N PRO A 44 -17.884 -3.464 -9.629 1.00 0.00 N ATOM 534 CA PRO A 44 -19.283 -3.027 -9.906 1.00 0.00 C ATOM 535 C PRO A 44 -19.688 -1.899 -8.955 1.00 0.00 C ATOM 536 O PRO A 44 -20.525 -1.070 -9.260 1.00 0.00 O ATOM 537 CB PRO A 44 -20.121 -4.292 -9.645 1.00 0.00 C ATOM 538 CG PRO A 44 -19.285 -5.141 -8.735 1.00 0.00 C ATOM 539 CD PRO A 44 -17.833 -4.831 -9.083 1.00 0.00 C ATOM 0 HA PRO A 44 -19.416 -2.637 -10.915 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -21.076 -4.042 -9.183 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -20.344 -4.815 -10.575 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -19.492 -4.913 -7.690 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -19.503 -6.199 -8.880 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -17.191 -4.886 -8.204 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -17.437 -5.538 -9.812 1.00 0.00 H new ATOM 547 N ILE A 45 -19.083 -1.873 -7.800 1.00 0.00 N ATOM 548 CA ILE A 45 -19.390 -0.821 -6.793 1.00 0.00 C ATOM 549 C ILE A 45 -18.270 0.219 -6.812 1.00 0.00 C ATOM 550 O ILE A 45 -18.358 1.260 -6.189 1.00 0.00 O ATOM 551 CB ILE A 45 -19.486 -1.478 -5.410 1.00 0.00 C ATOM 552 CG1 ILE A 45 -19.932 -0.442 -4.379 1.00 0.00 C ATOM 553 CG2 ILE A 45 -18.124 -2.049 -5.002 1.00 0.00 C ATOM 554 CD1 ILE A 45 -20.335 -1.149 -3.082 1.00 0.00 C ATOM 0 H ILE A 45 -18.377 -2.548 -7.507 1.00 0.00 H new ATOM 0 HA ILE A 45 -20.336 -0.330 -7.022 1.00 0.00 H new ATOM 0 HB ILE A 45 -20.214 -2.288 -5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -19.124 0.264 -4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -20.772 0.134 -4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -18.204 -2.513 -4.019 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -17.809 -2.796 -5.731 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.389 -1.245 -4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -20.653 -0.409 -2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -21.156 -1.837 -3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -19.483 -1.705 -2.691 1.00 0.00 H new ATOM 566 N GLY A 46 -17.215 -0.055 -7.530 1.00 0.00 N ATOM 567 CA GLY A 46 -16.090 0.918 -7.593 1.00 0.00 C ATOM 568 C GLY A 46 -14.895 0.281 -8.305 1.00 0.00 C ATOM 569 O GLY A 46 -15.049 -0.492 -9.230 1.00 0.00 O ATOM 0 H GLY A 46 -17.084 -0.908 -8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.404 1.817 -8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.805 1.224 -6.587 1.00 0.00 H new ATOM 573 N ILE A 47 -13.698 0.604 -7.871 1.00 0.00 N ATOM 574 CA ILE A 47 -12.469 0.031 -8.502 1.00 0.00 C ATOM 575 C ILE A 47 -11.616 -0.642 -7.434 1.00 0.00 C ATOM 576 O ILE A 47 -11.648 -0.278 -6.273 1.00 0.00 O ATOM 577 CB ILE A 47 -11.660 1.141 -9.184 1.00 0.00 C ATOM 578 CG1 ILE A 47 -11.290 2.234 -8.174 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.485 1.748 -10.317 1.00 0.00 C ATOM 580 CD1 ILE A 47 -10.361 3.250 -8.845 1.00 0.00 C ATOM 0 H ILE A 47 -13.521 1.247 -7.099 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.763 -0.704 -9.251 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.742 0.712 -9.586 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.190 2.731 -7.812 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.799 1.793 -7.307 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.911 2.537 -10.803 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.727 0.974 -11.046 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.407 2.166 -9.912 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.096 4.029 -8.130 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.456 2.746 -9.185 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.869 3.699 -9.699 1.00 0.00 H new ATOM 592 N SER A 48 -10.852 -1.628 -7.826 1.00 0.00 N ATOM 593 CA SER A 48 -9.979 -2.355 -6.860 1.00 0.00 C ATOM 594 C SER A 48 -8.522 -2.161 -7.261 1.00 0.00 C ATOM 595 O SER A 48 -8.140 -2.397 -8.393 1.00 0.00 O ATOM 596 CB SER A 48 -10.324 -3.841 -6.891 1.00 0.00 C ATOM 597 OG SER A 48 -11.695 -4.005 -6.555 1.00 0.00 O ATOM 0 H SER A 48 -10.796 -1.964 -8.787 1.00 0.00 H new ATOM 0 HA SER A 48 -10.135 -1.967 -5.854 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.127 -4.253 -7.881 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.696 -4.388 -6.188 1.00 0.00 H new ATOM 0 HG SER A 48 -11.887 -4.956 -6.418 1.00 0.00 H new ATOM 603 N ILE A 49 -7.706 -1.725 -6.337 1.00 0.00 N ATOM 604 CA ILE A 49 -6.262 -1.498 -6.635 1.00 0.00 C ATOM 605 C ILE A 49 -5.421 -2.524 -5.877 1.00 0.00 C ATOM 606 O ILE A 49 -5.587 -2.733 -4.690 1.00 0.00 O ATOM 607 CB ILE A 49 -5.871 -0.088 -6.202 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.632 0.927 -7.062 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.366 0.103 -6.389 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.450 2.333 -6.489 1.00 0.00 C ATOM 0 H ILE A 49 -7.983 -1.514 -5.378 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.086 -1.608 -7.705 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.123 0.061 -5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.267 0.893 -8.089 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.691 0.671 -7.091 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.086 1.110 -6.080 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.829 -0.626 -5.782 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.109 -0.039 -7.439 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.993 3.050 -7.105 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.836 2.364 -5.470 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.391 2.589 -6.483 1.00 0.00 H new ATOM 622 N ASP A 50 -4.524 -3.173 -6.573 1.00 0.00 N ATOM 623 CA ASP A 50 -3.655 -4.208 -5.939 1.00 0.00 C ATOM 624 C ASP A 50 -2.194 -3.930 -6.301 1.00 0.00 C ATOM 625 O ASP A 50 -1.836 -3.799 -7.462 1.00 0.00 O ATOM 626 CB ASP A 50 -4.069 -5.586 -6.458 1.00 0.00 C ATOM 627 CG ASP A 50 -3.072 -6.643 -5.984 1.00 0.00 C ATOM 628 OD1 ASP A 50 -2.287 -6.337 -5.101 1.00 0.00 O ATOM 629 OD2 ASP A 50 -3.109 -7.743 -6.512 1.00 0.00 O ATOM 0 H ASP A 50 -4.355 -3.027 -7.568 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.765 -4.180 -4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.070 -5.832 -6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.111 -5.576 -7.547 1.00 0.00 H new ATOM 634 N GLY A 51 -1.347 -3.823 -5.314 1.00 0.00 N ATOM 635 CA GLY A 51 0.088 -3.539 -5.592 1.00 0.00 C ATOM 636 C GLY A 51 0.951 -4.093 -4.464 1.00 0.00 C ATOM 637 O GLY A 51 0.526 -4.935 -3.698 1.00 0.00 O ATOM 0 H GLY A 51 -1.587 -3.920 -4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.380 -3.989 -6.541 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.244 -2.464 -5.688 1.00 0.00 H new ATOM 641 N TYR A 52 2.165 -3.620 -4.355 1.00 0.00 N ATOM 642 CA TYR A 52 3.071 -4.115 -3.277 1.00 0.00 C ATOM 643 C TYR A 52 3.943 -2.972 -2.767 1.00 0.00 C ATOM 644 O TYR A 52 4.099 -1.957 -3.420 1.00 0.00 O ATOM 645 CB TYR A 52 3.958 -5.239 -3.817 1.00 0.00 C ATOM 646 CG TYR A 52 4.619 -4.812 -5.108 1.00 0.00 C ATOM 647 CD1 TYR A 52 5.834 -4.113 -5.084 1.00 0.00 C ATOM 648 CD2 TYR A 52 4.020 -5.126 -6.334 1.00 0.00 C ATOM 649 CE1 TYR A 52 6.446 -3.730 -6.285 1.00 0.00 C ATOM 650 CE2 TYR A 52 4.631 -4.742 -7.534 1.00 0.00 C ATOM 651 CZ TYR A 52 5.844 -4.044 -7.510 1.00 0.00 C ATOM 652 OH TYR A 52 6.445 -3.666 -8.694 1.00 0.00 O ATOM 0 H TYR A 52 2.569 -2.911 -4.967 1.00 0.00 H new ATOM 0 HA TYR A 52 2.467 -4.499 -2.455 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.718 -5.498 -3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.360 -6.134 -3.986 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.298 -3.870 -4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.085 -5.666 -6.354 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.382 -3.192 -6.266 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.166 -4.984 -8.478 1.00 0.00 H new ATOM 0 HH TYR A 52 5.896 -3.963 -9.449 1.00 0.00 H new ATOM 662 N ILE A 53 4.502 -3.132 -1.589 1.00 0.00 N ATOM 663 CA ILE A 53 5.363 -2.058 -0.994 1.00 0.00 C ATOM 664 C ILE A 53 6.780 -2.575 -0.748 1.00 0.00 C ATOM 665 O ILE A 53 7.049 -3.757 -0.827 1.00 0.00 O ATOM 666 CB ILE A 53 4.749 -1.589 0.330 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.594 -2.779 1.286 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.378 -0.968 0.066 1.00 0.00 C ATOM 669 CD1 ILE A 53 4.132 -2.276 2.656 1.00 0.00 C ATOM 0 H ILE A 53 4.398 -3.966 -1.011 1.00 0.00 H new ATOM 0 HA ILE A 53 5.416 -1.224 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 53 5.406 -0.847 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.871 -3.490 0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.542 -3.308 1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.942 -0.635 1.008 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.488 -0.116 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.725 -1.710 -0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.022 -3.121 3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.871 -1.582 3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.174 -1.766 2.552 1.00 0.00 H new ATOM 681 N ASN A 54 7.686 -1.670 -0.469 1.00 0.00 N ATOM 682 CA ASN A 54 9.112 -2.042 -0.223 1.00 0.00 C ATOM 683 C ASN A 54 9.676 -2.753 -1.456 1.00 0.00 C ATOM 684 O ASN A 54 10.522 -3.623 -1.360 1.00 0.00 O ATOM 685 CB ASN A 54 9.213 -2.948 1.015 1.00 0.00 C ATOM 686 CG ASN A 54 8.940 -2.121 2.276 1.00 0.00 C ATOM 687 OD1 ASN A 54 9.803 -1.402 2.741 1.00 0.00 O ATOM 688 ND2 ASN A 54 7.767 -2.185 2.849 1.00 0.00 N ATOM 0 H ASN A 54 7.492 -0.671 -0.400 1.00 0.00 H new ATOM 0 HA ASN A 54 9.695 -1.140 -0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.495 -3.765 0.941 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.204 -3.398 1.070 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.577 -1.632 3.685 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.042 -2.788 2.460 1.00 0.00 H new ATOM 695 N ASN A 55 9.216 -2.372 -2.620 1.00 0.00 N ATOM 696 CA ASN A 55 9.720 -2.997 -3.878 1.00 0.00 C ATOM 697 C ASN A 55 9.737 -4.517 -3.723 1.00 0.00 C ATOM 698 O ASN A 55 10.576 -5.197 -4.283 1.00 0.00 O ATOM 699 CB ASN A 55 11.132 -2.488 -4.185 1.00 0.00 C ATOM 700 CG ASN A 55 11.053 -1.033 -4.658 1.00 0.00 C ATOM 701 OD1 ASN A 55 10.109 -0.650 -5.321 1.00 0.00 O ATOM 702 ND2 ASN A 55 12.007 -0.203 -4.339 1.00 0.00 N ATOM 0 H ASN A 55 8.508 -1.650 -2.753 1.00 0.00 H new ATOM 0 HA ASN A 55 9.060 -2.727 -4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.758 -2.560 -3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.596 -3.108 -4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.961 0.769 -4.646 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.799 -0.526 -3.783 1.00 0.00 H new ATOM 709 N ASP A 56 8.814 -5.053 -2.964 1.00 0.00 N ATOM 710 CA ASP A 56 8.758 -6.532 -2.759 1.00 0.00 C ATOM 711 C ASP A 56 7.352 -7.036 -3.090 1.00 0.00 C ATOM 712 O ASP A 56 6.426 -6.864 -2.321 1.00 0.00 O ATOM 713 CB ASP A 56 9.086 -6.851 -1.298 1.00 0.00 C ATOM 714 CG ASP A 56 10.575 -6.595 -1.047 1.00 0.00 C ATOM 715 OD1 ASP A 56 11.299 -6.437 -2.016 1.00 0.00 O ATOM 716 OD2 ASP A 56 10.962 -6.555 0.109 1.00 0.00 O ATOM 0 H ASP A 56 8.092 -4.525 -2.474 1.00 0.00 H new ATOM 0 HA ASP A 56 9.482 -7.022 -3.410 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.482 -6.233 -0.634 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.841 -7.890 -1.077 1.00 0.00 H new ATOM 721 N LYS A 57 7.192 -7.656 -4.233 1.00 0.00 N ATOM 722 CA LYS A 57 5.851 -8.178 -4.627 1.00 0.00 C ATOM 723 C LYS A 57 5.331 -9.125 -3.542 1.00 0.00 C ATOM 724 O LYS A 57 4.155 -9.426 -3.474 1.00 0.00 O ATOM 725 CB LYS A 57 5.965 -8.940 -5.952 1.00 0.00 C ATOM 726 CG LYS A 57 6.163 -7.956 -7.112 1.00 0.00 C ATOM 727 CD LYS A 57 6.148 -8.713 -8.450 1.00 0.00 C ATOM 728 CE LYS A 57 7.461 -9.481 -8.647 1.00 0.00 C ATOM 729 NZ LYS A 57 7.562 -9.940 -10.063 1.00 0.00 N ATOM 0 H LYS A 57 7.936 -7.823 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 57 5.160 -7.343 -4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.802 -9.636 -5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.066 -9.533 -6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.374 -7.204 -7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.109 -7.427 -6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.307 -9.406 -8.473 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.004 -8.010 -9.271 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.309 -8.842 -8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.499 -10.337 -7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.452 -10.461 -10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.760 -10.564 -10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.545 -9.116 -10.697 1.00 0.00 H new ATOM 743 N ASN A 58 6.200 -9.589 -2.689 1.00 0.00 N ATOM 744 CA ASN A 58 5.764 -10.507 -1.599 1.00 0.00 C ATOM 745 C ASN A 58 4.804 -9.756 -0.673 1.00 0.00 C ATOM 746 O ASN A 58 3.832 -10.301 -0.184 1.00 0.00 O ATOM 747 CB ASN A 58 6.986 -10.967 -0.800 1.00 0.00 C ATOM 748 CG ASN A 58 7.761 -12.024 -1.592 1.00 0.00 C ATOM 749 OD1 ASN A 58 8.976 -12.061 -1.547 1.00 0.00 O ATOM 750 ND2 ASN A 58 7.111 -12.894 -2.314 1.00 0.00 N ATOM 0 H ASN A 58 7.197 -9.372 -2.699 1.00 0.00 H new ATOM 0 HA ASN A 58 5.264 -11.376 -2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.632 -10.116 -0.585 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.670 -11.378 0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.621 -13.604 -2.840 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.092 -12.865 -2.353 1.00 0.00 H new ATOM 757 N LEU A 59 5.079 -8.503 -0.429 1.00 0.00 N ATOM 758 CA LEU A 59 4.200 -7.695 0.463 1.00 0.00 C ATOM 759 C LEU A 59 3.090 -7.067 -0.377 1.00 0.00 C ATOM 760 O LEU A 59 3.107 -5.881 -0.665 1.00 0.00 O ATOM 761 CB LEU A 59 5.028 -6.593 1.127 1.00 0.00 C ATOM 762 CG LEU A 59 6.285 -7.201 1.765 1.00 0.00 C ATOM 763 CD1 LEU A 59 7.040 -6.120 2.551 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.889 -8.347 2.708 1.00 0.00 C ATOM 0 H LEU A 59 5.880 -8.002 -0.812 1.00 0.00 H new ATOM 0 HA LEU A 59 3.764 -8.331 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.310 -5.842 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.433 -6.085 1.886 1.00 0.00 H new ATOM 0 HG LEU A 59 6.932 -7.593 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.932 -6.555 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.331 -5.315 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.394 -5.721 3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.785 -8.774 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.237 -7.964 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.363 -9.117 2.144 1.00 0.00 H new ATOM 776 N SER A 60 2.136 -7.865 -0.788 1.00 0.00 N ATOM 777 CA SER A 60 1.023 -7.345 -1.633 1.00 0.00 C ATOM 778 C SER A 60 -0.116 -6.812 -0.762 1.00 0.00 C ATOM 779 O SER A 60 -0.304 -7.221 0.374 1.00 0.00 O ATOM 780 CB SER A 60 0.496 -8.473 -2.517 1.00 0.00 C ATOM 781 OG SER A 60 1.539 -8.919 -3.374 1.00 0.00 O ATOM 0 H SER A 60 2.082 -8.860 -0.572 1.00 0.00 H new ATOM 0 HA SER A 60 1.402 -6.529 -2.248 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.137 -9.297 -1.901 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.352 -8.124 -3.107 1.00 0.00 H new ATOM 0 HG SER A 60 2.335 -9.124 -2.841 1.00 0.00 H new ATOM 787 N PHE A 61 -0.886 -5.900 -1.302 1.00 0.00 N ATOM 788 CA PHE A 61 -2.027 -5.317 -0.542 1.00 0.00 C ATOM 789 C PHE A 61 -3.158 -4.968 -1.505 1.00 0.00 C ATOM 790 O PHE A 61 -2.949 -4.801 -2.694 1.00 0.00 O ATOM 791 CB PHE A 61 -1.567 -4.046 0.174 1.00 0.00 C ATOM 792 CG PHE A 61 -1.167 -3.002 -0.846 1.00 0.00 C ATOM 793 CD1 PHE A 61 -2.130 -2.131 -1.373 1.00 0.00 C ATOM 794 CD2 PHE A 61 0.169 -2.897 -1.257 1.00 0.00 C ATOM 795 CE1 PHE A 61 -1.759 -1.157 -2.309 1.00 0.00 C ATOM 796 CE2 PHE A 61 0.540 -1.924 -2.195 1.00 0.00 C ATOM 797 CZ PHE A 61 -0.424 -1.054 -2.720 1.00 0.00 C ATOM 0 H PHE A 61 -0.769 -5.533 -2.246 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.381 -6.043 0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.368 -3.663 0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.725 -4.270 0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.160 -2.211 -1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.913 -3.566 -0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.502 -0.486 -2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.569 -1.845 -2.513 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.138 -0.303 -3.442 1.00 0.00 H new ATOM 807 N THR A 62 -4.362 -4.853 -0.999 1.00 0.00 N ATOM 808 CA THR A 62 -5.527 -4.508 -1.870 1.00 0.00 C ATOM 809 C THR A 62 -6.365 -3.421 -1.202 1.00 0.00 C ATOM 810 O THR A 62 -6.637 -3.469 -0.016 1.00 0.00 O ATOM 811 CB THR A 62 -6.391 -5.745 -2.098 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.601 -6.766 -2.692 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.555 -5.392 -3.028 1.00 0.00 C ATOM 0 H THR A 62 -4.588 -4.984 -0.013 1.00 0.00 H new ATOM 0 HA THR A 62 -5.157 -4.145 -2.829 1.00 0.00 H new ATOM 0 HB THR A 62 -6.785 -6.096 -1.144 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.152 -7.563 -2.839 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.172 -6.276 -3.191 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.159 -4.607 -2.573 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.164 -5.042 -3.983 1.00 0.00 H new ATOM 821 N ALA A 63 -6.785 -2.444 -1.964 1.00 0.00 N ATOM 822 CA ALA A 63 -7.616 -1.339 -1.402 1.00 0.00 C ATOM 823 C ALA A 63 -8.817 -1.105 -2.316 1.00 0.00 C ATOM 824 O ALA A 63 -8.718 -1.173 -3.528 1.00 0.00 O ATOM 825 CB ALA A 63 -6.778 -0.062 -1.322 1.00 0.00 C ATOM 0 H ALA A 63 -6.585 -2.365 -2.961 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.961 -1.607 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.384 0.746 -0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.916 -0.232 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.436 0.212 -2.320 1.00 0.00 H new ATOM 831 N GLY A 64 -9.957 -0.840 -1.736 1.00 0.00 N ATOM 832 CA GLY A 64 -11.191 -0.612 -2.546 1.00 0.00 C ATOM 833 C GLY A 64 -11.437 0.885 -2.723 1.00 0.00 C ATOM 834 O GLY A 64 -11.695 1.593 -1.769 1.00 0.00 O ATOM 0 H GLY A 64 -10.088 -0.771 -0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.088 -1.089 -3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.048 -1.073 -2.055 1.00 0.00 H new ATOM 838 N LYS A 65 -11.370 1.349 -3.951 1.00 0.00 N ATOM 839 CA LYS A 65 -11.604 2.797 -4.274 1.00 0.00 C ATOM 840 C LYS A 65 -11.285 3.707 -3.078 1.00 0.00 C ATOM 841 O LYS A 65 -10.153 4.099 -2.864 1.00 0.00 O ATOM 842 CB LYS A 65 -13.071 2.986 -4.676 1.00 0.00 C ATOM 843 CG LYS A 65 -13.302 4.439 -5.109 1.00 0.00 C ATOM 844 CD LYS A 65 -14.751 4.617 -5.556 1.00 0.00 C ATOM 845 CE LYS A 65 -14.968 6.065 -6.000 1.00 0.00 C ATOM 846 NZ LYS A 65 -16.378 6.239 -6.447 1.00 0.00 N ATOM 0 H LYS A 65 -11.158 0.770 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.940 3.075 -5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.326 2.308 -5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.723 2.737 -3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.080 5.115 -4.283 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.625 4.698 -5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.977 3.935 -6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.429 4.369 -4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.749 6.746 -5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.284 6.315 -6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.527 7.223 -6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.571 5.599 -7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.021 6.017 -5.661 1.00 0.00 H new ATOM 860 N ASP A 66 -12.283 4.049 -2.305 1.00 0.00 N ATOM 861 CA ASP A 66 -12.059 4.935 -1.131 1.00 0.00 C ATOM 862 C ASP A 66 -11.634 4.087 0.071 1.00 0.00 C ATOM 863 O ASP A 66 -12.113 4.259 1.174 1.00 0.00 O ATOM 864 CB ASP A 66 -13.355 5.693 -0.821 1.00 0.00 C ATOM 865 CG ASP A 66 -14.490 4.703 -0.551 1.00 0.00 C ATOM 866 OD1 ASP A 66 -14.268 3.514 -0.720 1.00 0.00 O ATOM 867 OD2 ASP A 66 -15.565 5.151 -0.188 1.00 0.00 O ATOM 0 H ASP A 66 -13.249 3.749 -2.440 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.270 5.655 -1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.210 6.338 0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -13.617 6.339 -1.659 1.00 0.00 H new ATOM 872 N VAL A 67 -10.727 3.174 -0.149 1.00 0.00 N ATOM 873 CA VAL A 67 -10.245 2.304 0.961 1.00 0.00 C ATOM 874 C VAL A 67 -11.434 1.659 1.681 1.00 0.00 C ATOM 875 O VAL A 67 -11.411 1.444 2.877 1.00 0.00 O ATOM 876 CB VAL A 67 -9.419 3.144 1.944 1.00 0.00 C ATOM 877 CG1 VAL A 67 -8.457 2.238 2.719 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.612 4.184 1.160 1.00 0.00 C ATOM 0 H VAL A 67 -10.297 2.993 -1.056 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.619 1.511 0.553 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.088 3.643 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.873 2.839 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.027 1.492 3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.786 1.738 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.022 4.785 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.946 3.677 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.293 4.831 0.607 1.00 0.00 H new ATOM 888 N LYS A 68 -12.463 1.330 0.952 1.00 0.00 N ATOM 889 CA LYS A 68 -13.648 0.681 1.577 1.00 0.00 C ATOM 890 C LYS A 68 -13.228 -0.663 2.160 1.00 0.00 C ATOM 891 O LYS A 68 -13.640 -1.037 3.242 1.00 0.00 O ATOM 892 CB LYS A 68 -14.708 0.444 0.507 1.00 0.00 C ATOM 893 CG LYS A 68 -15.982 -0.113 1.147 1.00 0.00 C ATOM 894 CD LYS A 68 -17.046 -0.365 0.066 1.00 0.00 C ATOM 895 CE LYS A 68 -17.710 0.954 -0.350 1.00 0.00 C ATOM 896 NZ LYS A 68 -18.894 0.662 -1.205 1.00 0.00 N ATOM 0 H LYS A 68 -12.534 1.483 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.048 1.321 2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.929 1.377 -0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.332 -0.254 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.759 -1.041 1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -16.364 0.589 1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.587 -0.838 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.800 -1.056 0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.015 1.515 0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.999 1.576 -0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.570 1.450 -1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.589 0.544 -2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.352 -0.213 -0.877 1.00 0.00 H new ATOM 910 N ILE A 69 -12.409 -1.391 1.443 1.00 0.00 N ATOM 911 CA ILE A 69 -11.950 -2.723 1.935 1.00 0.00 C ATOM 912 C ILE A 69 -10.426 -2.777 1.884 1.00 0.00 C ATOM 913 O ILE A 69 -9.814 -2.353 0.921 1.00 0.00 O ATOM 914 CB ILE A 69 -12.545 -3.836 1.058 1.00 0.00 C ATOM 915 CG1 ILE A 69 -12.405 -5.181 1.787 1.00 0.00 C ATOM 916 CG2 ILE A 69 -11.810 -3.903 -0.290 1.00 0.00 C ATOM 917 CD1 ILE A 69 -13.330 -5.228 3.020 1.00 0.00 C ATOM 0 H ILE A 69 -12.038 -1.117 0.533 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.284 -2.869 2.962 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.598 -3.622 0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.653 -5.997 1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -11.370 -5.327 2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.242 -4.696 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.912 -2.949 -0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.754 -4.112 -0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -13.217 -6.188 3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -13.062 -4.425 3.706 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -14.366 -5.104 2.703 1.00 0.00 H new ATOM 929 N PHE A 70 -9.815 -3.295 2.919 1.00 0.00 N ATOM 930 CA PHE A 70 -8.326 -3.386 2.964 1.00 0.00 C ATOM 931 C PHE A 70 -7.903 -4.825 3.258 1.00 0.00 C ATOM 932 O PHE A 70 -8.373 -5.451 4.190 1.00 0.00 O ATOM 933 CB PHE A 70 -7.804 -2.463 4.062 1.00 0.00 C ATOM 934 CG PHE A 70 -6.307 -2.619 4.180 1.00 0.00 C ATOM 935 CD1 PHE A 70 -5.481 -2.206 3.131 1.00 0.00 C ATOM 936 CD2 PHE A 70 -5.745 -3.179 5.335 1.00 0.00 C ATOM 937 CE1 PHE A 70 -4.094 -2.349 3.235 1.00 0.00 C ATOM 938 CE2 PHE A 70 -4.357 -3.322 5.440 1.00 0.00 C ATOM 939 CZ PHE A 70 -3.531 -2.908 4.389 1.00 0.00 C ATOM 0 H PHE A 70 -10.291 -3.662 3.743 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.912 -3.085 2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.056 -1.428 3.832 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.282 -2.704 5.012 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.914 -1.776 2.240 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.383 -3.500 6.145 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.456 -2.028 2.425 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.924 -3.751 6.331 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.460 -3.020 4.468 1.00 0.00 H new ATOM 949 N SER A 71 -7.006 -5.349 2.463 1.00 0.00 N ATOM 950 CA SER A 71 -6.523 -6.747 2.668 1.00 0.00 C ATOM 951 C SER A 71 -5.007 -6.780 2.482 1.00 0.00 C ATOM 952 O SER A 71 -4.448 -6.013 1.721 1.00 0.00 O ATOM 953 CB SER A 71 -7.184 -7.678 1.653 1.00 0.00 C ATOM 954 OG SER A 71 -7.005 -9.024 2.072 1.00 0.00 O ATOM 0 H SER A 71 -6.583 -4.862 1.672 1.00 0.00 H new ATOM 0 HA SER A 71 -6.780 -7.079 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.246 -7.449 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.746 -7.530 0.666 1.00 0.00 H new ATOM 0 HG SER A 71 -7.428 -9.627 1.426 1.00 0.00 H new ATOM 960 N SER A 72 -4.334 -7.662 3.178 1.00 0.00 N ATOM 961 CA SER A 72 -2.848 -7.748 3.056 1.00 0.00 C ATOM 962 C SER A 72 -2.401 -9.207 3.030 1.00 0.00 C ATOM 963 O SER A 72 -3.092 -10.097 3.489 1.00 0.00 O ATOM 964 CB SER A 72 -2.205 -7.046 4.250 1.00 0.00 C ATOM 965 OG SER A 72 -2.819 -7.500 5.448 1.00 0.00 O ATOM 0 H SER A 72 -4.752 -8.328 3.827 1.00 0.00 H new ATOM 0 HA SER A 72 -2.540 -7.267 2.128 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.135 -7.253 4.275 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.319 -5.966 4.156 1.00 0.00 H new ATOM 0 HG SER A 72 -2.407 -7.053 6.217 1.00 0.00 H new ATOM 971 N SER A 73 -1.241 -9.453 2.478 1.00 0.00 N ATOM 972 CA SER A 73 -0.722 -10.849 2.390 1.00 0.00 C ATOM 973 C SER A 73 -0.198 -11.321 3.752 1.00 0.00 C ATOM 974 O SER A 73 -0.087 -10.562 4.695 1.00 0.00 O ATOM 975 CB SER A 73 0.412 -10.894 1.368 1.00 0.00 C ATOM 976 OG SER A 73 1.530 -10.179 1.877 1.00 0.00 O ATOM 0 H SER A 73 -0.627 -8.741 2.082 1.00 0.00 H new ATOM 0 HA SER A 73 -1.534 -11.509 2.084 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.690 -11.927 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.085 -10.457 0.425 1.00 0.00 H new ATOM 0 HG SER A 73 2.259 -10.202 1.222 1.00 0.00 H new ATOM 982 N GLU A 74 0.117 -12.585 3.848 1.00 0.00 N ATOM 983 CA GLU A 74 0.633 -13.151 5.128 1.00 0.00 C ATOM 984 C GLU A 74 1.921 -12.425 5.540 1.00 0.00 C ATOM 985 O GLU A 74 2.133 -12.128 6.701 1.00 0.00 O ATOM 986 CB GLU A 74 0.932 -14.640 4.920 1.00 0.00 C ATOM 987 CG GLU A 74 -0.367 -15.402 4.630 1.00 0.00 C ATOM 988 CD GLU A 74 -1.282 -15.349 5.853 1.00 0.00 C ATOM 989 OE1 GLU A 74 -0.779 -15.092 6.934 1.00 0.00 O ATOM 990 OE2 GLU A 74 -2.472 -15.567 5.689 1.00 0.00 O ATOM 0 H GLU A 74 0.038 -13.257 3.085 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.112 -13.022 5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.630 -14.767 4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.413 -15.050 5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.871 -14.965 3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.143 -16.438 4.377 1.00 0.00 H new ATOM 997 N GLU A 75 2.783 -12.143 4.603 1.00 0.00 N ATOM 998 CA GLU A 75 4.054 -11.439 4.942 1.00 0.00 C ATOM 999 C GLU A 75 3.756 -9.992 5.348 1.00 0.00 C ATOM 1000 O GLU A 75 4.227 -9.501 6.358 1.00 0.00 O ATOM 1001 CB GLU A 75 4.964 -11.430 3.711 1.00 0.00 C ATOM 1002 CG GLU A 75 5.424 -12.853 3.387 1.00 0.00 C ATOM 1003 CD GLU A 75 6.325 -13.370 4.509 1.00 0.00 C ATOM 1004 OE1 GLU A 75 6.868 -12.550 5.232 1.00 0.00 O ATOM 1005 OE2 GLU A 75 6.455 -14.578 4.629 1.00 0.00 O ATOM 0 H GLU A 75 2.663 -12.369 3.616 1.00 0.00 H new ATOM 0 HA GLU A 75 4.542 -11.955 5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.431 -11.009 2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.829 -10.792 3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.560 -13.507 3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.963 -12.865 2.440 1.00 0.00 H new ATOM 1012 N LEU A 76 2.977 -9.309 4.558 1.00 0.00 N ATOM 1013 CA LEU A 76 2.631 -7.892 4.870 1.00 0.00 C ATOM 1014 C LEU A 76 1.838 -7.840 6.179 1.00 0.00 C ATOM 1015 O LEU A 76 1.772 -6.823 6.843 1.00 0.00 O ATOM 1016 CB LEU A 76 1.789 -7.327 3.717 1.00 0.00 C ATOM 1017 CG LEU A 76 1.291 -5.913 4.048 1.00 0.00 C ATOM 1018 CD1 LEU A 76 2.478 -4.995 4.355 1.00 0.00 C ATOM 1019 CD2 LEU A 76 0.516 -5.359 2.845 1.00 0.00 C ATOM 0 H LEU A 76 2.561 -9.674 3.701 1.00 0.00 H new ATOM 0 HA LEU A 76 3.537 -7.297 4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.384 -7.304 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.939 -7.982 3.527 1.00 0.00 H new ATOM 0 HG LEU A 76 0.641 -5.956 4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.113 -3.995 4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.031 -5.388 5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.136 -4.948 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.159 -4.355 3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.172 -5.322 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.335 -6.006 2.631 1.00 0.00 H new ATOM 1031 N ASP A 77 1.230 -8.932 6.543 1.00 0.00 N ATOM 1032 CA ASP A 77 0.429 -8.971 7.799 1.00 0.00 C ATOM 1033 C ASP A 77 1.333 -8.706 9.008 1.00 0.00 C ATOM 1034 O ASP A 77 0.929 -8.090 9.976 1.00 0.00 O ATOM 1035 CB ASP A 77 -0.194 -10.359 7.944 1.00 0.00 C ATOM 1036 CG ASP A 77 -1.236 -10.343 9.062 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -1.338 -9.332 9.737 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -1.916 -11.344 9.226 1.00 0.00 O ATOM 0 H ASP A 77 1.253 -9.808 6.021 1.00 0.00 H new ATOM 0 HA ASP A 77 -0.347 -8.207 7.755 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.659 -10.659 7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.580 -11.094 8.166 1.00 0.00 H new ATOM 1043 N LYS A 78 2.545 -9.187 8.970 1.00 0.00 N ATOM 1044 CA LYS A 78 3.467 -8.983 10.126 1.00 0.00 C ATOM 1045 C LYS A 78 3.742 -7.491 10.337 1.00 0.00 C ATOM 1046 O LYS A 78 3.718 -6.994 11.446 1.00 0.00 O ATOM 1047 CB LYS A 78 4.792 -9.694 9.845 1.00 0.00 C ATOM 1048 CG LYS A 78 4.573 -11.208 9.822 1.00 0.00 C ATOM 1049 CD LYS A 78 5.927 -11.929 9.777 1.00 0.00 C ATOM 1050 CE LYS A 78 6.613 -11.683 8.429 1.00 0.00 C ATOM 1051 NZ LYS A 78 7.719 -12.666 8.247 1.00 0.00 N ATOM 0 H LYS A 78 2.938 -9.713 8.189 1.00 0.00 H new ATOM 0 HA LYS A 78 2.999 -9.390 11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.198 -9.362 8.890 1.00 0.00 H new ATOM 0 HB3 LYS A 78 5.524 -9.435 10.610 1.00 0.00 H new ATOM 0 HG2 LYS A 78 4.015 -11.517 10.706 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.974 -11.485 8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.564 -11.574 10.587 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.783 -12.999 9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.890 -11.778 7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.005 -10.667 8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.834 -12.876 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.604 -12.266 8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.492 -13.542 8.759 1.00 0.00 H new ATOM 1065 N MET A 79 4.009 -6.773 9.284 1.00 0.00 N ATOM 1066 CA MET A 79 4.289 -5.317 9.425 1.00 0.00 C ATOM 1067 C MET A 79 3.007 -4.588 9.841 1.00 0.00 C ATOM 1068 O MET A 79 3.032 -3.656 10.623 1.00 0.00 O ATOM 1069 CB MET A 79 4.780 -4.765 8.087 1.00 0.00 C ATOM 1070 CG MET A 79 6.145 -5.374 7.751 1.00 0.00 C ATOM 1071 SD MET A 79 6.648 -4.865 6.087 1.00 0.00 S ATOM 1072 CE MET A 79 6.942 -3.114 6.444 1.00 0.00 C ATOM 0 H MET A 79 4.046 -7.131 8.330 1.00 0.00 H new ATOM 0 HA MET A 79 5.055 -5.164 10.185 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.063 -4.998 7.300 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.857 -3.679 8.136 1.00 0.00 H new ATOM 0 HG2 MET A 79 6.888 -5.051 8.481 1.00 0.00 H new ATOM 0 HG3 MET A 79 6.093 -6.461 7.809 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.613 -2.697 5.693 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.995 -2.574 6.423 1.00 0.00 H new ATOM 0 HE3 MET A 79 7.395 -3.015 7.431 1.00 0.00 H new ATOM 1082 N PHE A 80 1.885 -5.000 9.310 1.00 0.00 N ATOM 1083 CA PHE A 80 0.602 -4.328 9.658 1.00 0.00 C ATOM 1084 C PHE A 80 0.149 -4.755 11.056 1.00 0.00 C ATOM 1085 O PHE A 80 -0.099 -5.917 11.320 1.00 0.00 O ATOM 1086 CB PHE A 80 -0.470 -4.715 8.633 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.822 -4.209 9.086 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -2.200 -2.887 8.827 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.693 -5.065 9.774 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -3.448 -2.420 9.256 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -3.940 -4.596 10.202 1.00 0.00 C ATOM 1092 CZ PHE A 80 -4.318 -3.274 9.942 1.00 0.00 C ATOM 0 H PHE A 80 1.804 -5.774 8.650 1.00 0.00 H new ATOM 0 HA PHE A 80 0.749 -3.248 9.646 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.222 -4.294 7.658 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.498 -5.798 8.515 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.529 -2.227 8.296 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.402 -6.086 9.974 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.739 -1.399 9.057 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.611 -5.255 10.733 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.281 -2.913 10.271 1.00 0.00 H new ATOM 1102 N GLN A 81 0.028 -3.812 11.949 1.00 0.00 N ATOM 1103 CA GLN A 81 -0.418 -4.125 13.335 1.00 0.00 C ATOM 1104 C GLN A 81 -1.309 -2.990 13.822 1.00 0.00 C ATOM 1105 O GLN A 81 -1.768 -2.989 14.948 1.00 0.00 O ATOM 1106 CB GLN A 81 0.803 -4.239 14.253 1.00 0.00 C ATOM 1107 CG GLN A 81 1.654 -5.447 13.848 1.00 0.00 C ATOM 1108 CD GLN A 81 0.846 -6.730 14.048 1.00 0.00 C ATOM 1109 OE1 GLN A 81 0.307 -6.962 15.114 1.00 0.00 O ATOM 1110 NE2 GLN A 81 0.731 -7.578 13.063 1.00 0.00 N ATOM 0 H GLN A 81 0.222 -2.826 11.775 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.965 -5.068 13.347 1.00 0.00 H new ATOM 0 HB2 GLN A 81 1.399 -3.328 14.194 1.00 0.00 H new ATOM 0 HB3 GLN A 81 0.481 -4.342 15.289 1.00 0.00 H new ATOM 0 HG2 GLN A 81 1.961 -5.356 12.806 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.564 -5.481 14.446 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.182 -7.385 12.169 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.190 -8.434 13.187 1.00 0.00 H new ATOM 1119 N GLU A 82 -1.557 -2.014 12.980 1.00 0.00 N ATOM 1120 CA GLU A 82 -2.419 -0.867 13.393 1.00 0.00 C ATOM 1121 C GLU A 82 -3.826 -1.032 12.782 1.00 0.00 C ATOM 1122 O GLU A 82 -3.958 -1.264 11.597 1.00 0.00 O ATOM 1123 CB GLU A 82 -1.796 0.440 12.901 1.00 0.00 C ATOM 1124 CG GLU A 82 -0.597 0.775 13.792 1.00 0.00 C ATOM 1125 CD GLU A 82 0.219 1.901 13.164 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -0.381 2.787 12.582 1.00 0.00 O ATOM 1127 OE2 GLU A 82 1.432 1.857 13.279 1.00 0.00 O ATOM 0 H GLU A 82 -1.199 -1.965 12.026 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.499 -0.845 14.480 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.480 0.341 11.863 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.530 1.245 12.935 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.941 1.072 14.783 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.027 -0.109 13.923 1.00 0.00 H new ATOM 1134 N PRO A 83 -4.874 -0.914 13.576 1.00 0.00 N ATOM 1135 CA PRO A 83 -6.278 -1.054 13.079 1.00 0.00 C ATOM 1136 C PRO A 83 -6.549 -0.248 11.800 1.00 0.00 C ATOM 1137 O PRO A 83 -6.079 0.863 11.629 1.00 0.00 O ATOM 1138 CB PRO A 83 -7.135 -0.525 14.241 1.00 0.00 C ATOM 1139 CG PRO A 83 -6.300 -0.703 15.471 1.00 0.00 C ATOM 1140 CD PRO A 83 -4.837 -0.651 15.027 1.00 0.00 C ATOM 0 HA PRO A 83 -6.498 -2.086 12.805 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.394 0.523 14.091 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -8.072 -1.077 14.320 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.511 0.082 16.198 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -6.523 -1.654 15.955 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.393 0.321 15.242 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.238 -1.397 15.549 1.00 0.00 H new ATOM 1148 N ARG A 84 -7.305 -0.820 10.902 1.00 0.00 N ATOM 1149 CA ARG A 84 -7.622 -0.128 9.624 1.00 0.00 C ATOM 1150 C ARG A 84 -8.688 0.941 9.852 1.00 0.00 C ATOM 1151 O ARG A 84 -9.636 0.749 10.591 1.00 0.00 O ATOM 1152 CB ARG A 84 -8.128 -1.152 8.604 1.00 0.00 C ATOM 1153 CG ARG A 84 -9.378 -1.861 9.140 1.00 0.00 C ATOM 1154 CD ARG A 84 -9.853 -2.896 8.115 1.00 0.00 C ATOM 1155 NE ARG A 84 -11.109 -3.544 8.597 1.00 0.00 N ATOM 1156 CZ ARG A 84 -11.060 -4.590 9.382 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -9.909 -5.073 9.766 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -12.167 -5.150 9.786 1.00 0.00 N ATOM 0 H ARG A 84 -7.720 -1.747 11.002 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.720 0.352 9.245 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.359 -0.654 7.662 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.348 -1.884 8.395 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.155 -2.348 10.089 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.167 -1.135 9.333 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.027 -2.415 7.152 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.080 -3.649 7.960 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.013 -3.168 8.312 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.042 -4.635 9.454 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.877 -5.888 10.378 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.067 -4.772 9.490 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.132 -5.965 10.398 1.00 0.00 H new ATOM 1172 N LYS A 85 -8.537 2.072 9.211 1.00 0.00 N ATOM 1173 CA LYS A 85 -9.530 3.172 9.364 1.00 0.00 C ATOM 1174 C LYS A 85 -9.817 3.800 8.001 1.00 0.00 C ATOM 1175 O LYS A 85 -8.968 3.853 7.128 1.00 0.00 O ATOM 1176 CB LYS A 85 -8.977 4.229 10.316 1.00 0.00 C ATOM 1177 CG LYS A 85 -8.920 3.646 11.732 1.00 0.00 C ATOM 1178 CD LYS A 85 -8.461 4.722 12.725 1.00 0.00 C ATOM 1179 CE LYS A 85 -6.951 4.955 12.597 1.00 0.00 C ATOM 1180 NZ LYS A 85 -6.480 5.797 13.731 1.00 0.00 N ATOM 0 H LYS A 85 -7.760 2.280 8.583 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.457 2.770 9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.982 4.539 9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -9.609 5.117 10.300 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.902 3.270 12.019 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.234 2.799 11.758 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.997 5.652 12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.703 4.415 13.742 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.424 4.001 12.595 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.727 5.445 11.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.456 5.955 13.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.974 6.712 13.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.681 5.313 14.629 1.00 0.00 H new ATOM 1194 N GLY A 86 -11.021 4.266 7.816 1.00 0.00 N ATOM 1195 CA GLY A 86 -11.412 4.884 6.517 1.00 0.00 C ATOM 1196 C GLY A 86 -10.507 6.073 6.190 1.00 0.00 C ATOM 1197 O GLY A 86 -9.855 6.633 7.051 1.00 0.00 O ATOM 0 H GLY A 86 -11.760 4.245 8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.347 4.142 5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -12.450 5.213 6.563 1.00 0.00 H new ATOM 1201 N TYR A 87 -10.480 6.463 4.943 1.00 0.00 N ATOM 1202 CA TYR A 87 -9.636 7.618 4.529 1.00 0.00 C ATOM 1203 C TYR A 87 -10.122 8.881 5.249 1.00 0.00 C ATOM 1204 O TYR A 87 -9.338 9.682 5.723 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.752 7.820 3.017 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.965 9.044 2.616 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -7.567 8.985 2.569 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -9.627 10.236 2.291 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -6.830 10.116 2.200 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -8.889 11.367 1.922 1.00 0.00 C ATOM 1211 CZ TYR A 87 -7.491 11.307 1.876 1.00 0.00 C ATOM 1212 OH TYR A 87 -6.763 12.423 1.515 1.00 0.00 O ATOM 0 H TYR A 87 -11.011 6.027 4.189 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.596 7.422 4.790 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.375 6.943 2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.798 7.937 2.733 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -7.057 8.066 2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -10.705 10.282 2.325 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.752 10.070 2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.398 12.286 1.673 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.375 13.164 1.321 1.00 0.00 H new ATOM 1222 N ASP A 88 -11.412 9.062 5.329 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.960 10.267 6.014 1.00 0.00 C ATOM 1224 C ASP A 88 -11.682 10.179 7.518 1.00 0.00 C ATOM 1225 O ASP A 88 -11.509 11.178 8.190 1.00 0.00 O ATOM 1226 CB ASP A 88 -13.471 10.354 5.772 1.00 0.00 C ATOM 1227 CG ASP A 88 -14.143 9.049 6.207 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -13.431 8.100 6.489 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -15.363 9.022 6.251 1.00 0.00 O ATOM 0 H ASP A 88 -12.112 8.425 4.948 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.479 11.159 5.613 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.890 11.192 6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.669 10.541 4.717 1.00 0.00 H new ATOM 1234 N GLU A 89 -11.645 8.987 8.048 1.00 0.00 N ATOM 1235 CA GLU A 89 -11.386 8.816 9.509 1.00 0.00 C ATOM 1236 C GLU A 89 -9.974 9.306 9.848 1.00 0.00 C ATOM 1237 O GLU A 89 -9.770 10.068 10.774 1.00 0.00 O ATOM 1238 CB GLU A 89 -11.492 7.332 9.851 1.00 0.00 C ATOM 1239 CG GLU A 89 -12.920 6.838 9.605 1.00 0.00 C ATOM 1240 CD GLU A 89 -13.878 7.536 10.570 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -13.411 8.035 11.580 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -15.063 7.563 10.282 1.00 0.00 O ATOM 0 H GLU A 89 -11.784 8.119 7.531 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.113 9.393 10.080 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.791 6.760 9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.217 7.170 10.893 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.213 7.041 8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.971 5.758 9.744 1.00 0.00 H new ATOM 1249 N ILE A 90 -9.001 8.878 9.092 1.00 0.00 N ATOM 1250 CA ILE A 90 -7.598 9.317 9.347 1.00 0.00 C ATOM 1251 C ILE A 90 -7.471 10.810 9.026 1.00 0.00 C ATOM 1252 O ILE A 90 -6.773 11.548 9.695 1.00 0.00 O ATOM 1253 CB ILE A 90 -6.642 8.501 8.464 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -7.092 8.584 7.003 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -6.648 7.036 8.907 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -6.084 7.862 6.107 1.00 0.00 C ATOM 0 H ILE A 90 -9.117 8.240 8.305 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.340 9.154 10.394 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.635 8.908 8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.079 8.135 6.891 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.180 9.627 6.699 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.968 6.463 8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.324 6.969 9.946 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.656 6.632 8.814 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.410 7.925 5.069 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.105 8.331 6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.018 6.815 6.404 1.00 0.00 H new ATOM 1268 N LEU A 91 -8.140 11.253 7.997 1.00 0.00 N ATOM 1269 CA LEU A 91 -8.072 12.688 7.607 1.00 0.00 C ATOM 1270 C LEU A 91 -8.656 13.547 8.733 1.00 0.00 C ATOM 1271 O LEU A 91 -8.132 14.590 9.073 1.00 0.00 O ATOM 1272 CB LEU A 91 -8.887 12.893 6.322 1.00 0.00 C ATOM 1273 CG LEU A 91 -8.838 14.363 5.875 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -7.385 14.786 5.606 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -9.669 14.533 4.595 1.00 0.00 C ATOM 0 H LEU A 91 -8.736 10.675 7.405 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.036 12.980 7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.494 12.254 5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.921 12.593 6.490 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.248 14.991 6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.362 15.829 5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.798 14.670 6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.963 14.160 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.636 15.575 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.259 13.899 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.702 14.246 4.791 1.00 0.00 H new ATOM 1287 N GLU A 92 -9.745 13.113 9.310 1.00 0.00 N ATOM 1288 CA GLU A 92 -10.372 13.894 10.412 1.00 0.00 C ATOM 1289 C GLU A 92 -9.662 13.568 11.728 1.00 0.00 C ATOM 1290 O GLU A 92 -9.751 14.307 12.689 1.00 0.00 O ATOM 1291 CB GLU A 92 -11.855 13.519 10.519 1.00 0.00 C ATOM 1292 CG GLU A 92 -12.522 14.383 11.591 1.00 0.00 C ATOM 1293 CD GLU A 92 -14.025 14.096 11.635 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -14.525 13.500 10.695 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -14.652 14.480 12.609 1.00 0.00 O ATOM 0 H GLU A 92 -10.227 12.249 9.064 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.283 14.961 10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.349 13.666 9.559 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.957 12.464 10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.076 14.178 12.564 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.351 15.438 11.378 1.00 0.00 H new ATOM 1302 N HIS A 93 -8.954 12.465 11.765 1.00 0.00 N ATOM 1303 CA HIS A 93 -8.217 12.052 13.002 1.00 0.00 C ATOM 1304 C HIS A 93 -9.213 11.675 14.105 1.00 0.00 C ATOM 1305 O HIS A 93 -9.012 10.717 14.829 1.00 0.00 O ATOM 1306 CB HIS A 93 -7.318 13.195 13.495 1.00 0.00 C ATOM 1307 CG HIS A 93 -6.592 13.803 12.325 1.00 0.00 C ATOM 1308 ND1 HIS A 93 -5.540 13.161 11.692 1.00 0.00 N ATOM 1309 CD2 HIS A 93 -6.756 14.996 11.663 1.00 0.00 C ATOM 1310 CE1 HIS A 93 -5.113 13.961 10.699 1.00 0.00 C ATOM 1311 NE2 HIS A 93 -5.821 15.093 10.637 1.00 0.00 N ATOM 0 H HIS A 93 -8.854 11.823 10.978 1.00 0.00 H new ATOM 0 HA HIS A 93 -7.597 11.188 12.763 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -7.918 13.953 13.998 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -6.602 12.819 14.226 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -7.497 15.744 11.902 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -4.298 13.719 10.033 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -5.702 15.863 9.979 1.00 0.00 H new ATOM 1319 N HIS A 94 -10.280 12.424 14.236 1.00 0.00 N ATOM 1320 CA HIS A 94 -11.305 12.141 15.290 1.00 0.00 C ATOM 1321 C HIS A 94 -10.630 11.680 16.589 1.00 0.00 C ATOM 1322 O HIS A 94 -10.489 10.501 16.853 1.00 0.00 O ATOM 1323 CB HIS A 94 -12.284 11.068 14.801 1.00 0.00 C ATOM 1324 CG HIS A 94 -13.388 10.904 15.813 1.00 0.00 C ATOM 1325 ND1 HIS A 94 -13.459 9.810 16.659 1.00 0.00 N ATOM 1326 CD2 HIS A 94 -14.467 11.694 16.132 1.00 0.00 C ATOM 1327 CE1 HIS A 94 -14.544 9.968 17.439 1.00 0.00 C ATOM 1328 NE2 HIS A 94 -15.194 11.100 17.160 1.00 0.00 N ATOM 0 H HIS A 94 -10.488 13.232 13.649 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.855 13.060 15.490 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -12.700 11.352 13.834 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -11.763 10.122 14.658 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -14.713 12.632 15.657 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -14.852 9.264 18.198 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -16.041 11.454 17.604 1.00 0.00 H new ATOM 1336 N HIS A 95 -10.215 12.616 17.399 1.00 0.00 N ATOM 1337 CA HIS A 95 -9.553 12.271 18.688 1.00 0.00 C ATOM 1338 C HIS A 95 -9.861 13.373 19.706 1.00 0.00 C ATOM 1339 O HIS A 95 -9.320 13.403 20.797 1.00 0.00 O ATOM 1340 CB HIS A 95 -8.039 12.167 18.473 1.00 0.00 C ATOM 1341 CG HIS A 95 -7.381 11.720 19.748 1.00 0.00 C ATOM 1342 ND1 HIS A 95 -7.478 10.417 20.211 1.00 0.00 N ATOM 1343 CD2 HIS A 95 -6.620 12.391 20.672 1.00 0.00 C ATOM 1344 CE1 HIS A 95 -6.790 10.346 21.365 1.00 0.00 C ATOM 1345 NE2 HIS A 95 -6.247 11.522 21.692 1.00 0.00 N ATOM 0 H HIS A 95 -10.308 13.616 17.220 1.00 0.00 H new ATOM 0 HA HIS A 95 -9.924 11.315 19.057 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.822 11.460 17.672 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -7.638 13.132 18.163 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -6.351 13.436 20.616 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -6.689 9.447 21.955 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -5.681 11.736 22.513 1.00 0.00 H new ATOM 1353 N HIS A 96 -10.732 14.283 19.348 1.00 0.00 N ATOM 1354 CA HIS A 96 -11.100 15.400 20.272 1.00 0.00 C ATOM 1355 C HIS A 96 -9.845 15.954 20.960 1.00 0.00 C ATOM 1356 O HIS A 96 -9.829 16.206 22.150 1.00 0.00 O ATOM 1357 CB HIS A 96 -12.102 14.895 21.314 1.00 0.00 C ATOM 1358 CG HIS A 96 -12.547 16.038 22.184 1.00 0.00 C ATOM 1359 ND1 HIS A 96 -12.365 17.361 21.816 1.00 0.00 N ATOM 1360 CD2 HIS A 96 -13.180 16.072 23.403 1.00 0.00 C ATOM 1361 CE1 HIS A 96 -12.878 18.129 22.794 1.00 0.00 C ATOM 1362 NE2 HIS A 96 -13.387 17.394 23.786 1.00 0.00 N ATOM 0 H HIS A 96 -11.208 14.300 18.446 1.00 0.00 H new ATOM 0 HA HIS A 96 -11.560 16.204 19.698 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -12.963 14.446 20.818 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.645 14.117 21.925 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -13.472 15.205 23.977 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -12.878 19.209 22.779 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -13.832 17.729 24.640 1.00 0.00 H new ATOM 1370 N HIS A 97 -8.799 16.149 20.202 1.00 0.00 N ATOM 1371 CA HIS A 97 -7.526 16.696 20.764 1.00 0.00 C ATOM 1372 C HIS A 97 -7.037 15.835 21.932 1.00 0.00 C ATOM 1373 O HIS A 97 -7.717 14.939 22.393 1.00 0.00 O ATOM 1374 CB HIS A 97 -7.739 18.132 21.256 1.00 0.00 C ATOM 1375 CG HIS A 97 -8.091 19.025 20.097 1.00 0.00 C ATOM 1376 ND1 HIS A 97 -7.173 19.352 19.110 1.00 0.00 N ATOM 1377 CD2 HIS A 97 -9.249 19.681 19.764 1.00 0.00 C ATOM 1378 CE1 HIS A 97 -7.790 20.175 18.241 1.00 0.00 C ATOM 1379 NE2 HIS A 97 -9.057 20.406 18.593 1.00 0.00 N ATOM 0 H HIS A 97 -8.771 15.950 19.202 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.776 16.686 19.973 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.536 18.156 22.000 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.835 18.496 21.745 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -10.170 19.640 20.326 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.318 20.597 17.366 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -9.738 20.989 18.107 1.00 0.00 H new ATOM 1387 N HIS A 98 -5.851 16.109 22.410 1.00 0.00 N ATOM 1388 CA HIS A 98 -5.296 15.323 23.547 1.00 0.00 C ATOM 1389 C HIS A 98 -6.250 15.401 24.740 1.00 0.00 C ATOM 1390 O HIS A 98 -7.094 16.281 24.742 1.00 0.00 O ATOM 1391 CB HIS A 98 -3.931 15.898 23.942 1.00 0.00 C ATOM 1392 CG HIS A 98 -3.395 15.162 25.143 1.00 0.00 C ATOM 1393 ND1 HIS A 98 -2.883 13.878 25.056 1.00 0.00 N ATOM 1394 CD2 HIS A 98 -3.284 15.521 26.464 1.00 0.00 C ATOM 1395 CE1 HIS A 98 -2.490 13.514 26.291 1.00 0.00 C ATOM 1396 NE2 HIS A 98 -2.713 14.478 27.187 1.00 0.00 N ATOM 1397 OXT HIS A 98 -6.122 14.578 25.633 1.00 0.00 O ATOM 0 H HIS A 98 -5.242 16.848 22.058 1.00 0.00 H new ATOM 0 HA HIS A 98 -5.180 14.281 23.247 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -3.234 15.809 23.109 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.025 16.960 24.167 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -3.593 16.469 26.879 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.048 12.558 26.528 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -2.509 14.455 28.186 1.00 0.00 H new TER 1405 HIS A 98