USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 794 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 Single : A 11 ASN : amide:sc= -0.383 K(o=-0.38,f=0.55) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 0.399 (180deg=0.262) USER MOD Single : A 23 THR OG1 : rot 82:sc= 0.298 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.999 USER MOD Single : A 31 THR OG1 : rot -60:sc= 0.736 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 31:sc= -3.25! USER MOD Single : A 47 CYS SG : rot 73:sc= -1.37! USER MOD Single : A 48 THR OG1 : rot 71:sc= 1.1 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -120:sc= -0.368 (180deg=-1.49!) USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= -0.0994 (180deg=-0.532) USER MOD Single : A 70 MET CE :methyl 172:sc= 0 (180deg=-0.179) USER MOD Single : A 71 GLN : amide:sc= -0.436 K(o=-0.44,f=-2.8) USER MOD Single : A 72 GLN : amide:sc= -0.897 K(o=-0.9,f=-3.4!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0391 USER MOD Single : A 79 ASN : amide:sc= 0.569 K(o=0.57,f=-0.029) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.28) USER MOD Single : A 90 GLN : amide:sc= -2.33 K(o=-2.3,f=-8.5!) USER MOD Single : A 94 GLN : amide:sc= -0.338 X(o=-0.34,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 155:sc= -0.52 USER MOD Single : A 99 SER OG : rot 180:sc= 0.238 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 11.812 -2.310 2.031 1.00 0.00 N ATOM 2 CA ALA A 8 11.888 -1.347 3.122 1.00 0.00 C ATOM 3 C ALA A 8 11.508 0.052 2.645 1.00 0.00 C ATOM 4 O ALA A 8 12.239 0.677 1.878 1.00 0.00 O ATOM 5 CB ALA A 8 13.286 -1.339 3.724 1.00 0.00 C ATOM 0 HA ALA A 8 11.176 -1.648 3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.328 -0.615 4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 8 13.522 -2.331 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.011 -1.065 2.957 1.00 0.00 H new ATOM 11 N ALA A 9 10.360 0.536 3.106 1.00 0.00 N ATOM 12 CA ALA A 9 9.883 1.861 2.728 1.00 0.00 C ATOM 13 C ALA A 9 10.900 2.936 3.095 1.00 0.00 C ATOM 14 O ALA A 9 11.781 2.731 3.931 1.00 0.00 O ATOM 15 CB ALA A 9 8.546 2.150 3.393 1.00 0.00 C ATOM 0 H ALA A 9 9.743 0.031 3.742 1.00 0.00 H new ATOM 0 HA ALA A 9 9.750 1.877 1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.202 3.142 3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.815 1.406 3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.662 2.109 4.476 1.00 0.00 H new ATOM 21 N PRO A 10 10.781 4.108 2.455 1.00 0.00 N ATOM 22 CA PRO A 10 11.682 5.239 2.698 1.00 0.00 C ATOM 23 C PRO A 10 11.478 5.857 4.076 1.00 0.00 C ATOM 24 O PRO A 10 10.351 6.138 4.479 1.00 0.00 O ATOM 25 CB PRO A 10 11.303 6.237 1.602 1.00 0.00 C ATOM 26 CG PRO A 10 9.890 5.908 1.263 1.00 0.00 C ATOM 27 CD PRO A 10 9.755 4.421 1.446 1.00 0.00 C ATOM 0 HA PRO A 10 12.729 4.938 2.675 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.397 7.265 1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.953 6.136 0.733 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.198 6.445 1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.657 6.198 0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.757 4.147 1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.931 3.884 0.514 1.00 0.00 H new ATOM 35 N ASN A 11 12.577 6.068 4.794 1.00 0.00 N ATOM 36 CA ASN A 11 12.517 6.655 6.128 1.00 0.00 C ATOM 37 C ASN A 11 13.133 8.050 6.137 1.00 0.00 C ATOM 38 O ASN A 11 13.658 8.503 7.155 1.00 0.00 O ATOM 39 CB ASN A 11 13.242 5.758 7.134 1.00 0.00 C ATOM 40 CG ASN A 11 12.725 5.942 8.548 1.00 0.00 C ATOM 41 OD1 ASN A 11 12.529 7.066 9.009 1.00 0.00 O ATOM 42 ND2 ASN A 11 12.503 4.833 9.244 1.00 0.00 N ATOM 0 H ASN A 11 13.519 5.841 4.475 1.00 0.00 H new ATOM 0 HA ASN A 11 11.469 6.739 6.415 1.00 0.00 H new ATOM 0 HB2 ASN A 11 13.123 4.715 6.839 1.00 0.00 H new ATOM 0 HB3 ASN A 11 14.310 5.977 7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 11 12.156 4.893 10.201 1.00 0.00 H new ATOM 0 HD22 ASN A 11 12.680 3.922 8.821 1.00 0.00 H new ATOM 49 N LEU A 12 13.066 8.728 4.996 1.00 0.00 N ATOM 50 CA LEU A 12 13.616 10.073 4.871 1.00 0.00 C ATOM 51 C LEU A 12 12.589 11.027 4.269 1.00 0.00 C ATOM 52 O LEU A 12 12.476 12.178 4.690 1.00 0.00 O ATOM 53 CB LEU A 12 14.878 10.051 4.006 1.00 0.00 C ATOM 54 CG LEU A 12 14.811 9.191 2.744 1.00 0.00 C ATOM 55 CD1 LEU A 12 15.704 9.770 1.656 1.00 0.00 C ATOM 56 CD2 LEU A 12 15.207 7.755 3.053 1.00 0.00 C ATOM 0 H LEU A 12 12.636 8.368 4.144 1.00 0.00 H new ATOM 0 HA LEU A 12 13.873 10.428 5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.111 11.074 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 12 15.708 9.698 4.618 1.00 0.00 H new ATOM 0 HG LEU A 12 13.783 9.192 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 12 15.644 9.145 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 12 15.374 10.780 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.735 9.800 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.153 7.159 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 12 16.225 7.734 3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 12 14.527 7.342 3.798 1.00 0.00 H new ATOM 68 N ALA A 13 11.843 10.541 3.284 1.00 0.00 N ATOM 69 CA ALA A 13 10.824 11.349 2.627 1.00 0.00 C ATOM 70 C ALA A 13 9.444 10.717 2.774 1.00 0.00 C ATOM 71 O ALA A 13 8.453 11.411 3.001 1.00 0.00 O ATOM 72 CB ALA A 13 11.165 11.537 1.156 1.00 0.00 C ATOM 0 H ALA A 13 11.925 9.591 2.923 1.00 0.00 H new ATOM 0 HA ALA A 13 10.803 12.325 3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.395 12.143 0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.128 12.039 1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.217 10.564 0.667 1.00 0.00 H new ATOM 78 N GLY A 14 9.386 9.395 2.644 1.00 0.00 N ATOM 79 CA GLY A 14 8.122 8.692 2.766 1.00 0.00 C ATOM 80 C GLY A 14 7.406 8.552 1.436 1.00 0.00 C ATOM 81 O GLY A 14 6.200 8.312 1.394 1.00 0.00 O ATOM 0 H GLY A 14 10.192 8.798 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.299 7.702 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.479 9.225 3.467 1.00 0.00 H new ATOM 85 N ALA A 15 8.152 8.706 0.346 1.00 0.00 N ATOM 86 CA ALA A 15 7.581 8.594 -0.990 1.00 0.00 C ATOM 87 C ALA A 15 6.355 9.488 -1.141 1.00 0.00 C ATOM 88 O ALA A 15 5.308 9.049 -1.615 1.00 0.00 O ATOM 89 CB ALA A 15 7.222 7.147 -1.292 1.00 0.00 C ATOM 0 H ALA A 15 9.152 8.908 0.363 1.00 0.00 H new ATOM 0 HA ALA A 15 8.331 8.928 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.797 7.079 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.119 6.530 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.493 6.793 -0.563 1.00 0.00 H new ATOM 95 N VAL A 16 6.492 10.746 -0.732 1.00 0.00 N ATOM 96 CA VAL A 16 5.396 11.703 -0.821 1.00 0.00 C ATOM 97 C VAL A 16 4.815 11.744 -2.231 1.00 0.00 C ATOM 98 O VAL A 16 3.632 12.024 -2.417 1.00 0.00 O ATOM 99 CB VAL A 16 5.853 13.119 -0.425 1.00 0.00 C ATOM 100 CG1 VAL A 16 6.243 13.163 1.044 1.00 0.00 C ATOM 101 CG2 VAL A 16 7.007 13.572 -1.306 1.00 0.00 C ATOM 0 H VAL A 16 7.352 11.126 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 16 4.628 11.369 -0.124 1.00 0.00 H new ATOM 0 HB VAL A 16 5.020 13.806 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.563 14.172 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.386 12.884 1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.060 12.465 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.317 14.575 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.845 12.884 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.687 13.582 -2.348 1.00 0.00 H new ATOM 111 N GLU A 17 5.658 11.462 -3.221 1.00 0.00 N ATOM 112 CA GLU A 17 5.228 11.466 -4.614 1.00 0.00 C ATOM 113 C GLU A 17 4.556 10.146 -4.981 1.00 0.00 C ATOM 114 O GLU A 17 5.108 9.071 -4.749 1.00 0.00 O ATOM 115 CB GLU A 17 6.421 11.719 -5.539 1.00 0.00 C ATOM 116 CG GLU A 17 6.051 12.425 -6.831 1.00 0.00 C ATOM 117 CD GLU A 17 7.262 12.772 -7.675 1.00 0.00 C ATOM 118 OE1 GLU A 17 8.134 13.519 -7.183 1.00 0.00 O ATOM 119 OE2 GLU A 17 7.339 12.294 -8.826 1.00 0.00 O ATOM 0 H GLU A 17 6.641 11.228 -3.083 1.00 0.00 H new ATOM 0 HA GLU A 17 4.503 12.270 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.161 12.317 -5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.893 10.766 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.381 11.789 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.502 13.337 -6.598 1.00 0.00 H new ATOM 126 N PHE A 18 3.361 10.238 -5.555 1.00 0.00 N ATOM 127 CA PHE A 18 2.612 9.051 -5.952 1.00 0.00 C ATOM 128 C PHE A 18 3.362 8.268 -7.026 1.00 0.00 C ATOM 129 O PHE A 18 3.282 7.042 -7.086 1.00 0.00 O ATOM 130 CB PHE A 18 1.226 9.445 -6.467 1.00 0.00 C ATOM 131 CG PHE A 18 0.430 8.286 -6.994 1.00 0.00 C ATOM 132 CD1 PHE A 18 0.347 7.103 -6.278 1.00 0.00 C ATOM 133 CD2 PHE A 18 -0.237 8.379 -8.205 1.00 0.00 C ATOM 134 CE1 PHE A 18 -0.385 6.034 -6.759 1.00 0.00 C ATOM 135 CE2 PHE A 18 -0.971 7.314 -8.691 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.044 6.140 -7.967 1.00 0.00 C ATOM 0 H PHE A 18 2.891 11.121 -5.755 1.00 0.00 H new ATOM 0 HA PHE A 18 2.499 8.414 -5.075 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.669 9.921 -5.660 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.338 10.187 -7.257 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.861 7.015 -5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.183 9.294 -8.776 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.441 5.117 -6.191 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.487 7.399 -9.636 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.616 5.306 -8.346 1.00 0.00 H new ATOM 146 N SER A 19 4.092 8.989 -7.873 1.00 0.00 N ATOM 147 CA SER A 19 4.853 8.363 -8.948 1.00 0.00 C ATOM 148 C SER A 19 5.879 7.384 -8.388 1.00 0.00 C ATOM 149 O SER A 19 6.166 6.352 -8.996 1.00 0.00 O ATOM 150 CB SER A 19 5.557 9.431 -9.790 1.00 0.00 C ATOM 151 OG SER A 19 4.711 10.545 -10.011 1.00 0.00 O ATOM 0 H SER A 19 4.172 10.005 -7.835 1.00 0.00 H new ATOM 0 HA SER A 19 4.157 7.811 -9.580 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.467 9.756 -9.285 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.859 9.004 -10.746 1.00 0.00 H new ATOM 0 HG SER A 19 5.184 11.213 -10.549 1.00 0.00 H new ATOM 157 N ASP A 20 6.430 7.713 -7.225 1.00 0.00 N ATOM 158 CA ASP A 20 7.424 6.863 -6.580 1.00 0.00 C ATOM 159 C ASP A 20 6.753 5.731 -5.808 1.00 0.00 C ATOM 160 O ASP A 20 7.338 4.666 -5.613 1.00 0.00 O ATOM 161 CB ASP A 20 8.301 7.689 -5.638 1.00 0.00 C ATOM 162 CG ASP A 20 9.636 7.028 -5.361 1.00 0.00 C ATOM 163 OD1 ASP A 20 9.641 5.839 -4.981 1.00 0.00 O ATOM 164 OD2 ASP A 20 10.676 7.700 -5.522 1.00 0.00 O ATOM 0 H ASP A 20 6.205 8.563 -6.709 1.00 0.00 H new ATOM 0 HA ASP A 20 8.051 6.427 -7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.470 8.674 -6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.773 7.843 -4.697 1.00 0.00 H new ATOM 169 N VAL A 21 5.520 5.971 -5.370 1.00 0.00 N ATOM 170 CA VAL A 21 4.769 4.972 -4.620 1.00 0.00 C ATOM 171 C VAL A 21 4.300 3.839 -5.526 1.00 0.00 C ATOM 172 O VAL A 21 4.518 2.663 -5.233 1.00 0.00 O ATOM 173 CB VAL A 21 3.545 5.597 -3.924 1.00 0.00 C ATOM 174 CG1 VAL A 21 2.755 4.534 -3.175 1.00 0.00 C ATOM 175 CG2 VAL A 21 3.978 6.712 -2.984 1.00 0.00 C ATOM 0 H VAL A 21 5.021 6.848 -5.522 1.00 0.00 H new ATOM 0 HA VAL A 21 5.444 4.572 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 21 2.896 6.027 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.894 4.995 -2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.412 3.774 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.392 4.071 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.101 7.142 -2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.649 6.308 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.496 7.486 -3.551 1.00 0.00 H new ATOM 185 N LYS A 22 3.656 4.202 -6.630 1.00 0.00 N ATOM 186 CA LYS A 22 3.158 3.217 -7.584 1.00 0.00 C ATOM 187 C LYS A 22 4.261 2.245 -7.988 1.00 0.00 C ATOM 188 O LYS A 22 4.004 1.065 -8.230 1.00 0.00 O ATOM 189 CB LYS A 22 2.599 3.916 -8.825 1.00 0.00 C ATOM 190 CG LYS A 22 3.647 4.682 -9.616 1.00 0.00 C ATOM 191 CD LYS A 22 3.061 5.281 -10.883 1.00 0.00 C ATOM 192 CE LYS A 22 4.131 5.500 -11.941 1.00 0.00 C ATOM 193 NZ LYS A 22 5.032 6.633 -11.593 1.00 0.00 N ATOM 0 H LYS A 22 3.466 5.171 -6.887 1.00 0.00 H new ATOM 0 HA LYS A 22 2.360 2.653 -7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.138 3.172 -9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.811 4.605 -8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.064 5.476 -8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.469 4.014 -9.874 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.289 4.620 -11.276 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.579 6.230 -10.649 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.720 4.590 -12.056 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.656 5.696 -12.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.778 6.717 -12.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.483 7.515 -11.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.466 6.459 -10.664 1.00 0.00 H new ATOM 207 N THR A 23 5.490 2.746 -8.058 1.00 0.00 N ATOM 208 CA THR A 23 6.632 1.921 -8.433 1.00 0.00 C ATOM 209 C THR A 23 6.949 0.897 -7.349 1.00 0.00 C ATOM 210 O THR A 23 7.201 -0.273 -7.641 1.00 0.00 O ATOM 211 CB THR A 23 7.883 2.781 -8.693 1.00 0.00 C ATOM 212 OG1 THR A 23 7.609 3.748 -9.712 1.00 0.00 O ATOM 213 CG2 THR A 23 9.058 1.911 -9.116 1.00 0.00 C ATOM 0 H THR A 23 5.720 3.720 -7.860 1.00 0.00 H new ATOM 0 HA THR A 23 6.360 1.401 -9.352 1.00 0.00 H new ATOM 0 HB THR A 23 8.144 3.293 -7.767 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.144 4.516 -9.318 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.930 2.540 -9.294 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.283 1.194 -8.326 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.804 1.376 -10.031 1.00 0.00 H new ATOM 221 N LEU A 24 6.935 1.343 -6.098 1.00 0.00 N ATOM 222 CA LEU A 24 7.221 0.464 -4.969 1.00 0.00 C ATOM 223 C LEU A 24 6.210 -0.676 -4.896 1.00 0.00 C ATOM 224 O LEU A 24 6.571 -1.825 -4.640 1.00 0.00 O ATOM 225 CB LEU A 24 7.206 1.259 -3.662 1.00 0.00 C ATOM 226 CG LEU A 24 7.438 0.452 -2.384 1.00 0.00 C ATOM 227 CD1 LEU A 24 8.177 1.290 -1.352 1.00 0.00 C ATOM 228 CD2 LEU A 24 6.116 -0.047 -1.820 1.00 0.00 C ATOM 0 H LEU A 24 6.729 2.308 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 24 8.213 0.036 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.970 2.034 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.244 1.765 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 24 8.054 -0.413 -2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.334 0.700 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.141 1.598 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.586 2.174 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.301 -0.619 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.475 0.804 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.624 -0.684 -2.555 1.00 0.00 H new ATOM 240 N LEU A 25 4.942 -0.350 -5.125 1.00 0.00 N ATOM 241 CA LEU A 25 3.878 -1.346 -5.088 1.00 0.00 C ATOM 242 C LEU A 25 4.014 -2.332 -6.245 1.00 0.00 C ATOM 243 O LEU A 25 3.973 -3.546 -6.050 1.00 0.00 O ATOM 244 CB LEU A 25 2.510 -0.665 -5.142 1.00 0.00 C ATOM 245 CG LEU A 25 1.955 -0.167 -3.807 1.00 0.00 C ATOM 246 CD1 LEU A 25 1.075 1.056 -4.017 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.179 -1.271 -3.107 1.00 0.00 C ATOM 0 H LEU A 25 4.627 0.596 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 25 3.965 -1.898 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.575 0.182 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.794 -1.366 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 25 2.793 0.119 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.689 1.396 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.662 1.852 -4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.242 0.797 -4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.792 -0.898 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.349 -1.589 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.839 -2.118 -2.921 1.00 0.00 H new ATOM 259 N LYS A 26 4.176 -1.800 -7.452 1.00 0.00 N ATOM 260 CA LYS A 26 4.322 -2.630 -8.641 1.00 0.00 C ATOM 261 C LYS A 26 5.452 -3.639 -8.466 1.00 0.00 C ATOM 262 O LYS A 26 5.309 -4.812 -8.812 1.00 0.00 O ATOM 263 CB LYS A 26 4.591 -1.756 -9.868 1.00 0.00 C ATOM 264 CG LYS A 26 3.797 -2.169 -11.096 1.00 0.00 C ATOM 265 CD LYS A 26 4.410 -3.383 -11.774 1.00 0.00 C ATOM 266 CE LYS A 26 4.259 -3.311 -13.286 1.00 0.00 C ATOM 267 NZ LYS A 26 5.556 -3.535 -13.984 1.00 0.00 N ATOM 0 H LYS A 26 4.209 -0.797 -7.632 1.00 0.00 H new ATOM 0 HA LYS A 26 3.390 -3.176 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.355 -0.720 -9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.654 -1.793 -10.104 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.770 -2.392 -10.808 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.757 -1.339 -11.801 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.467 -3.451 -11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.932 -4.289 -11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.536 -4.057 -13.615 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.860 -2.336 -13.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.411 -3.478 -15.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.239 -2.808 -13.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.925 -4.476 -13.738 1.00 0.00 H new ATOM 281 N GLU A 27 6.574 -3.176 -7.924 1.00 0.00 N ATOM 282 CA GLU A 27 7.728 -4.040 -7.702 1.00 0.00 C ATOM 283 C GLU A 27 7.498 -4.958 -6.506 1.00 0.00 C ATOM 284 O GLU A 27 7.958 -6.100 -6.488 1.00 0.00 O ATOM 285 CB GLU A 27 8.987 -3.200 -7.479 1.00 0.00 C ATOM 286 CG GLU A 27 9.640 -2.728 -8.767 1.00 0.00 C ATOM 287 CD GLU A 27 11.135 -2.525 -8.624 1.00 0.00 C ATOM 288 OE1 GLU A 27 11.557 -1.888 -7.636 1.00 0.00 O ATOM 289 OE2 GLU A 27 11.886 -3.004 -9.500 1.00 0.00 O ATOM 0 H GLU A 27 6.709 -2.208 -7.631 1.00 0.00 H new ATOM 0 HA GLU A 27 7.864 -4.656 -8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.731 -2.332 -6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.708 -3.786 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.450 -3.457 -9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.179 -1.792 -9.082 1.00 0.00 H new ATOM 296 N TRP A 28 6.784 -4.451 -5.507 1.00 0.00 N ATOM 297 CA TRP A 28 6.492 -5.225 -4.305 1.00 0.00 C ATOM 298 C TRP A 28 5.559 -6.388 -4.620 1.00 0.00 C ATOM 299 O TRP A 28 5.488 -7.361 -3.868 1.00 0.00 O ATOM 300 CB TRP A 28 5.868 -4.328 -3.236 1.00 0.00 C ATOM 301 CG TRP A 28 5.376 -5.085 -2.040 1.00 0.00 C ATOM 302 CD1 TRP A 28 6.088 -5.966 -1.277 1.00 0.00 C ATOM 303 CD2 TRP A 28 4.062 -5.030 -1.471 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.297 -6.461 -0.268 1.00 0.00 N ATOM 305 CE2 TRP A 28 4.050 -5.901 -0.364 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.897 -4.325 -1.787 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.917 -6.088 0.424 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.774 -4.512 -1.004 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.790 -5.387 0.091 1.00 0.00 C ATOM 0 H TRP A 28 6.397 -3.507 -5.505 1.00 0.00 H new ATOM 0 HA TRP A 28 7.430 -5.630 -3.926 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.605 -3.592 -2.914 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.037 -3.776 -3.675 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.121 -6.234 -1.442 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.591 -7.136 0.438 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.875 -3.647 -2.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.928 -6.762 1.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.868 -3.974 -1.240 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.895 -5.510 0.683 1.00 0.00 H new ATOM 320 N ILE A 29 4.843 -6.281 -5.735 1.00 0.00 N ATOM 321 CA ILE A 29 3.913 -7.326 -6.148 1.00 0.00 C ATOM 322 C ILE A 29 4.563 -8.273 -7.152 1.00 0.00 C ATOM 323 O ILE A 29 4.197 -9.445 -7.243 1.00 0.00 O ATOM 324 CB ILE A 29 2.638 -6.730 -6.772 1.00 0.00 C ATOM 325 CG1 ILE A 29 1.930 -5.820 -5.767 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.707 -7.841 -7.237 1.00 0.00 C ATOM 327 CD1 ILE A 29 0.972 -4.841 -6.410 1.00 0.00 C ATOM 0 H ILE A 29 4.889 -5.482 -6.368 1.00 0.00 H new ATOM 0 HA ILE A 29 3.642 -7.882 -5.250 1.00 0.00 H new ATOM 0 HB ILE A 29 2.920 -6.132 -7.639 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.383 -6.436 -5.054 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.678 -5.265 -5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.810 -7.404 -7.676 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.215 -8.453 -7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.429 -8.463 -6.386 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.506 -4.228 -5.639 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.517 -4.200 -7.103 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.202 -5.389 -6.953 1.00 0.00 H new ATOM 339 N THR A 30 5.531 -7.757 -7.903 1.00 0.00 N ATOM 340 CA THR A 30 6.233 -8.556 -8.900 1.00 0.00 C ATOM 341 C THR A 30 7.396 -9.317 -8.275 1.00 0.00 C ATOM 342 O THR A 30 7.490 -10.539 -8.396 1.00 0.00 O ATOM 343 CB THR A 30 6.764 -7.680 -10.049 1.00 0.00 C ATOM 344 OG1 THR A 30 7.709 -6.730 -9.544 1.00 0.00 O ATOM 345 CG2 THR A 30 5.626 -6.950 -10.745 1.00 0.00 C ATOM 0 H THR A 30 5.847 -6.789 -7.840 1.00 0.00 H new ATOM 0 HA THR A 30 5.511 -9.268 -9.300 1.00 0.00 H new ATOM 0 HB THR A 30 7.254 -8.330 -10.774 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.043 -6.177 -10.281 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.027 -6.338 -11.553 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.924 -7.677 -11.154 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.110 -6.312 -10.027 1.00 0.00 H new ATOM 353 N THR A 31 8.282 -8.588 -7.604 1.00 0.00 N ATOM 354 CA THR A 31 9.441 -9.192 -6.961 1.00 0.00 C ATOM 355 C THR A 31 9.016 -10.181 -5.880 1.00 0.00 C ATOM 356 O THR A 31 9.510 -11.308 -5.827 1.00 0.00 O ATOM 357 CB THR A 31 10.357 -8.125 -6.333 1.00 0.00 C ATOM 358 OG1 THR A 31 9.708 -7.524 -5.206 1.00 0.00 O ATOM 359 CG2 THR A 31 10.714 -7.052 -7.350 1.00 0.00 C ATOM 0 H THR A 31 8.218 -7.576 -7.492 1.00 0.00 H new ATOM 0 HA THR A 31 9.993 -9.721 -7.738 1.00 0.00 H new ATOM 0 HB THR A 31 11.275 -8.613 -6.006 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.873 -7.101 -5.497 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.361 -6.310 -6.883 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.233 -7.508 -8.193 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.803 -6.568 -7.704 1.00 0.00 H new ATOM 367 N ILE A 32 8.097 -9.752 -5.022 1.00 0.00 N ATOM 368 CA ILE A 32 7.604 -10.600 -3.944 1.00 0.00 C ATOM 369 C ILE A 32 6.357 -11.366 -4.373 1.00 0.00 C ATOM 370 O ILE A 32 5.549 -10.868 -5.156 1.00 0.00 O ATOM 371 CB ILE A 32 7.278 -9.777 -2.683 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.411 -8.793 -2.384 1.00 0.00 C ATOM 373 CG2 ILE A 32 7.043 -10.698 -1.496 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.757 -9.458 -2.199 1.00 0.00 C ATOM 0 H ILE A 32 7.679 -8.822 -5.052 1.00 0.00 H new ATOM 0 HA ILE A 32 8.400 -11.307 -3.711 1.00 0.00 H new ATOM 0 HB ILE A 32 6.366 -9.209 -2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.480 -8.073 -3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.165 -8.232 -1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.814 -10.102 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.207 -11.363 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.940 -11.290 -1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.512 -8.700 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.705 -10.158 -1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.025 -9.996 -3.108 1.00 0.00 H new ATOM 386 N SER A 33 6.207 -12.580 -3.853 1.00 0.00 N ATOM 387 CA SER A 33 5.060 -13.417 -4.184 1.00 0.00 C ATOM 388 C SER A 33 4.296 -13.814 -2.925 1.00 0.00 C ATOM 389 O SER A 33 3.069 -13.916 -2.935 1.00 0.00 O ATOM 390 CB SER A 33 5.514 -14.670 -4.934 1.00 0.00 C ATOM 391 OG SER A 33 6.242 -14.329 -6.102 1.00 0.00 O ATOM 0 H SER A 33 6.866 -13.006 -3.201 1.00 0.00 H new ATOM 0 HA SER A 33 4.395 -12.840 -4.826 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.134 -15.284 -4.281 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.645 -15.270 -5.205 1.00 0.00 H new ATOM 0 HG SER A 33 6.523 -15.147 -6.563 1.00 0.00 H new ATOM 397 N ASP A 34 5.031 -14.037 -1.840 1.00 0.00 N ATOM 398 CA ASP A 34 4.424 -14.422 -0.571 1.00 0.00 C ATOM 399 C ASP A 34 5.038 -13.638 0.584 1.00 0.00 C ATOM 400 O ASP A 34 5.817 -14.165 1.379 1.00 0.00 O ATOM 401 CB ASP A 34 4.596 -15.923 -0.334 1.00 0.00 C ATOM 402 CG ASP A 34 5.956 -16.427 -0.778 1.00 0.00 C ATOM 403 OD1 ASP A 34 6.973 -15.828 -0.370 1.00 0.00 O ATOM 404 OD2 ASP A 34 6.002 -17.422 -1.531 1.00 0.00 O ATOM 0 H ASP A 34 6.048 -13.958 -1.814 1.00 0.00 H new ATOM 0 HA ASP A 34 3.360 -14.190 -0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.460 -16.139 0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.818 -16.464 -0.872 1.00 0.00 H new ATOM 409 N PRO A 35 4.680 -12.349 0.681 1.00 0.00 N ATOM 410 CA PRO A 35 5.185 -11.465 1.736 1.00 0.00 C ATOM 411 C PRO A 35 4.629 -11.824 3.110 1.00 0.00 C ATOM 412 O PRO A 35 3.725 -12.652 3.226 1.00 0.00 O ATOM 413 CB PRO A 35 4.692 -10.081 1.306 1.00 0.00 C ATOM 414 CG PRO A 35 3.490 -10.351 0.469 1.00 0.00 C ATOM 415 CD PRO A 35 3.755 -11.656 -0.231 1.00 0.00 C ATOM 0 HA PRO A 35 6.268 -11.534 1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.443 -9.464 2.169 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.456 -9.546 0.741 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.593 -10.414 1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.328 -9.549 -0.251 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.838 -12.225 -0.382 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.200 -11.502 -1.214 1.00 0.00 H new ATOM 423 N MET A 36 5.173 -11.197 4.147 1.00 0.00 N ATOM 424 CA MET A 36 4.729 -11.450 5.512 1.00 0.00 C ATOM 425 C MET A 36 3.608 -10.493 5.906 1.00 0.00 C ATOM 426 O MET A 36 3.280 -9.570 5.163 1.00 0.00 O ATOM 427 CB MET A 36 5.900 -11.311 6.487 1.00 0.00 C ATOM 428 CG MET A 36 5.775 -12.196 7.718 1.00 0.00 C ATOM 429 SD MET A 36 7.375 -12.719 8.363 1.00 0.00 S ATOM 430 CE MET A 36 6.867 -13.768 9.722 1.00 0.00 C ATOM 0 H MET A 36 5.922 -10.510 4.068 1.00 0.00 H new ATOM 0 HA MET A 36 4.346 -12.469 5.559 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.826 -11.555 5.967 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.977 -10.271 6.804 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.233 -11.657 8.495 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.183 -13.076 7.469 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.749 -14.168 10.222 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.281 -13.185 10.432 1.00 0.00 H new ATOM 0 HE3 MET A 36 6.262 -14.590 9.340 1.00 0.00 H new ATOM 440 N GLU A 37 3.026 -10.721 7.079 1.00 0.00 N ATOM 441 CA GLU A 37 1.943 -9.878 7.570 1.00 0.00 C ATOM 442 C GLU A 37 2.405 -8.432 7.723 1.00 0.00 C ATOM 443 O GLU A 37 1.641 -7.497 7.483 1.00 0.00 O ATOM 444 CB GLU A 37 1.423 -10.404 8.910 1.00 0.00 C ATOM 445 CG GLU A 37 2.494 -10.492 9.985 1.00 0.00 C ATOM 446 CD GLU A 37 2.058 -11.324 11.175 1.00 0.00 C ATOM 447 OE1 GLU A 37 1.061 -10.951 11.827 1.00 0.00 O ATOM 448 OE2 GLU A 37 2.714 -12.349 11.454 1.00 0.00 O ATOM 0 H GLU A 37 3.286 -11.482 7.706 1.00 0.00 H new ATOM 0 HA GLU A 37 1.135 -9.907 6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.621 -9.754 9.260 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.989 -11.392 8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.399 -10.923 9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.748 -9.487 10.322 1.00 0.00 H new ATOM 455 N GLU A 38 3.658 -8.257 8.126 1.00 0.00 N ATOM 456 CA GLU A 38 4.222 -6.925 8.314 1.00 0.00 C ATOM 457 C GLU A 38 4.162 -6.122 7.017 1.00 0.00 C ATOM 458 O GLU A 38 3.940 -4.912 7.035 1.00 0.00 O ATOM 459 CB GLU A 38 5.670 -7.023 8.799 1.00 0.00 C ATOM 460 CG GLU A 38 6.614 -7.635 7.779 1.00 0.00 C ATOM 461 CD GLU A 38 7.757 -8.397 8.424 1.00 0.00 C ATOM 462 OE1 GLU A 38 8.488 -7.792 9.236 1.00 0.00 O ATOM 463 OE2 GLU A 38 7.918 -9.595 8.116 1.00 0.00 O ATOM 0 H GLU A 38 4.303 -9.021 8.329 1.00 0.00 H new ATOM 0 HA GLU A 38 3.628 -6.410 9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.026 -6.026 9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.699 -7.619 9.711 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.054 -8.308 7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.020 -6.846 7.146 1.00 0.00 H new ATOM 470 N ASP A 39 4.363 -6.805 5.896 1.00 0.00 N ATOM 471 CA ASP A 39 4.332 -6.156 4.590 1.00 0.00 C ATOM 472 C ASP A 39 2.978 -5.497 4.344 1.00 0.00 C ATOM 473 O ASP A 39 2.905 -4.381 3.827 1.00 0.00 O ATOM 474 CB ASP A 39 4.627 -7.171 3.486 1.00 0.00 C ATOM 475 CG ASP A 39 6.048 -7.695 3.544 1.00 0.00 C ATOM 476 OD1 ASP A 39 6.671 -7.599 4.623 1.00 0.00 O ATOM 477 OD2 ASP A 39 6.538 -8.199 2.512 1.00 0.00 O ATOM 0 H ASP A 39 4.549 -7.807 5.865 1.00 0.00 H new ATOM 0 HA ASP A 39 5.100 -5.383 4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.932 -8.006 3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.453 -6.707 2.515 1.00 0.00 H new ATOM 482 N ILE A 40 1.910 -6.194 4.715 1.00 0.00 N ATOM 483 CA ILE A 40 0.559 -5.675 4.534 1.00 0.00 C ATOM 484 C ILE A 40 0.282 -4.516 5.486 1.00 0.00 C ATOM 485 O ILE A 40 -0.472 -3.598 5.161 1.00 0.00 O ATOM 486 CB ILE A 40 -0.499 -6.771 4.757 1.00 0.00 C ATOM 487 CG1 ILE A 40 -0.293 -7.919 3.765 1.00 0.00 C ATOM 488 CG2 ILE A 40 -1.899 -6.192 4.621 1.00 0.00 C ATOM 489 CD1 ILE A 40 0.539 -9.054 4.318 1.00 0.00 C ATOM 0 H ILE A 40 1.953 -7.119 5.143 1.00 0.00 H new ATOM 0 HA ILE A 40 0.493 -5.320 3.505 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.386 -7.164 5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.266 -8.306 3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.188 -7.531 2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.636 -6.979 4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.041 -5.406 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.025 -5.775 3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.643 -9.831 3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.525 -8.681 4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.049 -9.469 5.199 1.00 0.00 H new ATOM 501 N LEU A 41 0.900 -4.564 6.661 1.00 0.00 N ATOM 502 CA LEU A 41 0.722 -3.516 7.661 1.00 0.00 C ATOM 503 C LEU A 41 1.521 -2.272 7.293 1.00 0.00 C ATOM 504 O LEU A 41 1.140 -1.153 7.639 1.00 0.00 O ATOM 505 CB LEU A 41 1.150 -4.023 9.040 1.00 0.00 C ATOM 506 CG LEU A 41 0.063 -4.700 9.874 1.00 0.00 C ATOM 507 CD1 LEU A 41 -1.066 -3.726 10.173 1.00 0.00 C ATOM 508 CD2 LEU A 41 -0.470 -5.933 9.156 1.00 0.00 C ATOM 0 H LEU A 41 1.528 -5.316 6.945 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.335 -3.250 7.690 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.970 -4.729 8.907 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.544 -3.180 9.608 1.00 0.00 H new ATOM 0 HG LEU A 41 0.502 -5.016 10.820 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.830 -4.226 10.768 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.674 -2.874 10.729 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.504 -3.378 9.237 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.243 -6.402 9.764 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.892 -5.640 8.195 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.344 -6.640 8.994 1.00 0.00 H new ATOM 520 N GLN A 42 2.631 -2.473 6.589 1.00 0.00 N ATOM 521 CA GLN A 42 3.482 -1.365 6.172 1.00 0.00 C ATOM 522 C GLN A 42 2.780 -0.499 5.131 1.00 0.00 C ATOM 523 O GLN A 42 2.751 0.726 5.246 1.00 0.00 O ATOM 524 CB GLN A 42 4.802 -1.894 5.607 1.00 0.00 C ATOM 525 CG GLN A 42 5.855 -2.160 6.670 1.00 0.00 C ATOM 526 CD GLN A 42 6.565 -0.898 7.118 1.00 0.00 C ATOM 527 OE1 GLN A 42 7.424 -0.370 6.411 1.00 0.00 O ATOM 528 NE2 GLN A 42 6.209 -0.406 8.299 1.00 0.00 N ATOM 0 H GLN A 42 2.961 -3.392 6.296 1.00 0.00 H new ATOM 0 HA GLN A 42 3.689 -0.750 7.048 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.609 -2.816 5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.195 -1.174 4.890 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.384 -2.633 7.532 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.588 -2.866 6.281 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.492 -0.876 8.852 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.652 0.442 8.653 1.00 0.00 H new ATOM 537 N VAL A 43 2.215 -1.145 4.116 1.00 0.00 N ATOM 538 CA VAL A 43 1.512 -0.434 3.056 1.00 0.00 C ATOM 539 C VAL A 43 0.320 0.340 3.608 1.00 0.00 C ATOM 540 O VAL A 43 -0.022 1.413 3.112 1.00 0.00 O ATOM 541 CB VAL A 43 1.020 -1.401 1.962 1.00 0.00 C ATOM 542 CG1 VAL A 43 2.199 -1.996 1.206 1.00 0.00 C ATOM 543 CG2 VAL A 43 0.158 -2.496 2.569 1.00 0.00 C ATOM 0 H VAL A 43 2.231 -2.159 4.006 1.00 0.00 H new ATOM 0 HA VAL A 43 2.224 0.266 2.619 1.00 0.00 H new ATOM 0 HB VAL A 43 0.410 -0.841 1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.832 -2.676 0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.773 -1.196 0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.838 -2.543 1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.181 -3.170 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.742 -3.056 3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.706 -2.049 3.061 1.00 0.00 H new ATOM 553 N VAL A 44 -0.311 -0.214 4.639 1.00 0.00 N ATOM 554 CA VAL A 44 -1.464 0.424 5.261 1.00 0.00 C ATOM 555 C VAL A 44 -1.053 1.673 6.031 1.00 0.00 C ATOM 556 O VAL A 44 -1.785 2.663 6.066 1.00 0.00 O ATOM 557 CB VAL A 44 -2.190 -0.539 6.220 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.341 0.168 6.918 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.685 -1.766 5.468 1.00 0.00 C ATOM 0 H VAL A 44 -0.043 -1.103 5.061 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.142 0.704 4.455 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.482 -0.868 6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.841 -0.528 7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.956 1.012 7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.052 0.528 6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.195 -2.436 6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.377 -1.458 4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.837 -2.285 5.020 1.00 0.00 H new ATOM 569 N ARG A 45 0.124 1.622 6.647 1.00 0.00 N ATOM 570 CA ARG A 45 0.633 2.750 7.417 1.00 0.00 C ATOM 571 C ARG A 45 0.793 3.984 6.535 1.00 0.00 C ATOM 572 O ARG A 45 0.503 5.104 6.956 1.00 0.00 O ATOM 573 CB ARG A 45 1.975 2.393 8.059 1.00 0.00 C ATOM 574 CG ARG A 45 1.842 1.760 9.435 1.00 0.00 C ATOM 575 CD ARG A 45 1.377 2.770 10.471 1.00 0.00 C ATOM 576 NE ARG A 45 1.104 2.146 11.762 1.00 0.00 N ATOM 577 CZ ARG A 45 0.338 2.696 12.698 1.00 0.00 C ATOM 578 NH1 ARG A 45 -0.225 3.877 12.488 1.00 0.00 N ATOM 579 NH2 ARG A 45 0.137 2.065 13.848 1.00 0.00 N ATOM 0 H ARG A 45 0.743 0.811 6.627 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.089 2.976 8.201 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.511 1.707 7.403 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.581 3.295 8.140 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.134 0.933 9.389 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.802 1.342 9.738 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.139 3.539 10.595 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.477 3.268 10.112 1.00 0.00 H new ATOM 0 HE ARG A 45 1.525 1.237 11.956 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.071 4.366 11.606 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.813 4.297 13.208 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.571 1.157 14.014 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.451 2.488 14.566 1.00 0.00 H new ATOM 593 N TYR A 46 1.255 3.771 5.308 1.00 0.00 N ATOM 594 CA TYR A 46 1.456 4.866 4.365 1.00 0.00 C ATOM 595 C TYR A 46 0.128 5.522 4.001 1.00 0.00 C ATOM 596 O TYR A 46 -0.001 6.747 4.031 1.00 0.00 O ATOM 597 CB TYR A 46 2.150 4.357 3.101 1.00 0.00 C ATOM 598 CG TYR A 46 2.157 5.360 1.969 1.00 0.00 C ATOM 599 CD1 TYR A 46 2.880 6.543 2.068 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.441 5.126 0.802 1.00 0.00 C ATOM 601 CE1 TYR A 46 2.890 7.463 1.038 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.447 6.039 -0.234 1.00 0.00 C ATOM 603 CZ TYR A 46 2.171 7.206 -0.112 1.00 0.00 C ATOM 604 OH TYR A 46 2.178 8.119 -1.141 1.00 0.00 O ATOM 0 H TYR A 46 1.498 2.850 4.943 1.00 0.00 H new ATOM 0 HA TYR A 46 2.090 5.613 4.844 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.178 4.089 3.344 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.654 3.446 2.766 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.444 6.746 2.966 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.870 4.215 0.703 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.457 8.378 1.132 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.887 5.840 -1.136 1.00 0.00 H new ATOM 0 HH TYR A 46 3.036 8.592 -1.153 1.00 0.00 H new ATOM 614 N CYS A 47 -0.857 4.698 3.659 1.00 0.00 N ATOM 615 CA CYS A 47 -2.177 5.197 3.289 1.00 0.00 C ATOM 616 C CYS A 47 -2.858 5.868 4.478 1.00 0.00 C ATOM 617 O CYS A 47 -3.382 6.977 4.363 1.00 0.00 O ATOM 618 CB CYS A 47 -3.048 4.055 2.765 1.00 0.00 C ATOM 619 SG CYS A 47 -2.279 3.085 1.447 1.00 0.00 S ATOM 0 H CYS A 47 -0.767 3.682 3.630 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.050 5.939 2.500 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.295 3.391 3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.987 4.468 2.397 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.334 2.346 1.947 1.00 0.00 H new ATOM 625 N THR A 48 -2.848 5.189 5.620 1.00 0.00 N ATOM 626 CA THR A 48 -3.466 5.716 6.829 1.00 0.00 C ATOM 627 C THR A 48 -2.846 7.052 7.225 1.00 0.00 C ATOM 628 O THR A 48 -3.512 7.905 7.812 1.00 0.00 O ATOM 629 CB THR A 48 -3.331 4.731 8.006 1.00 0.00 C ATOM 630 OG1 THR A 48 -3.883 3.459 7.646 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.040 5.264 9.242 1.00 0.00 C ATOM 0 H THR A 48 -2.418 4.271 5.733 1.00 0.00 H new ATOM 0 HA THR A 48 -4.523 5.860 6.606 1.00 0.00 H new ATOM 0 HB THR A 48 -2.271 4.616 8.235 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.299 3.023 6.991 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.931 4.552 10.060 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.600 6.218 9.531 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.098 5.405 9.022 1.00 0.00 H new ATOM 639 N ASP A 49 -1.570 7.226 6.901 1.00 0.00 N ATOM 640 CA ASP A 49 -0.861 8.458 7.222 1.00 0.00 C ATOM 641 C ASP A 49 -1.403 9.626 6.404 1.00 0.00 C ATOM 642 O ASP A 49 -1.400 10.771 6.858 1.00 0.00 O ATOM 643 CB ASP A 49 0.638 8.292 6.966 1.00 0.00 C ATOM 644 CG ASP A 49 1.355 7.638 8.131 1.00 0.00 C ATOM 645 OD1 ASP A 49 0.673 7.231 9.095 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.599 7.536 8.080 1.00 0.00 O ATOM 0 H ASP A 49 -1.005 6.529 6.416 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.019 8.673 8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.786 7.691 6.069 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.081 9.269 6.773 1.00 0.00 H new ATOM 651 N LEU A 50 -1.866 9.330 5.194 1.00 0.00 N ATOM 652 CA LEU A 50 -2.409 10.354 4.310 1.00 0.00 C ATOM 653 C LEU A 50 -3.717 10.912 4.864 1.00 0.00 C ATOM 654 O LEU A 50 -3.923 12.126 4.891 1.00 0.00 O ATOM 655 CB LEU A 50 -2.639 9.780 2.911 1.00 0.00 C ATOM 656 CG LEU A 50 -1.386 9.561 2.062 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.719 8.748 0.820 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.763 10.894 1.677 1.00 0.00 C ATOM 0 H LEU A 50 -1.876 8.388 4.803 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.685 11.166 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.157 8.826 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.308 10.450 2.370 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.662 9.002 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.816 8.602 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.119 7.778 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.461 9.280 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.127 10.719 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.481 11.479 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.488 11.441 2.579 1.00 0.00 H new ATOM 670 N ILE A 51 -4.595 10.019 5.306 1.00 0.00 N ATOM 671 CA ILE A 51 -5.881 10.423 5.863 1.00 0.00 C ATOM 672 C ILE A 51 -5.695 11.311 7.089 1.00 0.00 C ATOM 673 O ILE A 51 -6.578 12.093 7.440 1.00 0.00 O ATOM 674 CB ILE A 51 -6.735 9.202 6.251 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.997 8.325 5.026 1.00 0.00 C ATOM 676 CG2 ILE A 51 -8.047 9.651 6.878 1.00 0.00 C ATOM 677 CD1 ILE A 51 -7.167 6.858 5.358 1.00 0.00 C ATOM 0 H ILE A 51 -4.440 9.011 5.290 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.399 10.985 5.086 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.186 8.612 6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.894 8.681 4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.170 8.437 4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.640 8.777 7.147 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.840 10.239 7.773 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.602 10.260 6.164 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.350 6.296 4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.261 6.486 5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.013 6.734 6.034 1.00 0.00 H new ATOM 689 N GLU A 52 -4.539 11.185 7.733 1.00 0.00 N ATOM 690 CA GLU A 52 -4.237 11.977 8.920 1.00 0.00 C ATOM 691 C GLU A 52 -3.904 13.417 8.542 1.00 0.00 C ATOM 692 O GLU A 52 -4.068 14.335 9.346 1.00 0.00 O ATOM 693 CB GLU A 52 -3.069 11.357 9.691 1.00 0.00 C ATOM 694 CG GLU A 52 -3.418 10.046 10.373 1.00 0.00 C ATOM 695 CD GLU A 52 -2.594 9.800 11.622 1.00 0.00 C ATOM 696 OE1 GLU A 52 -2.255 10.785 12.310 1.00 0.00 O ATOM 697 OE2 GLU A 52 -2.289 8.624 11.910 1.00 0.00 O ATOM 0 H GLU A 52 -3.797 10.543 7.453 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.121 11.982 9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.239 11.190 9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.723 12.067 10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.476 10.048 10.635 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.264 9.225 9.673 1.00 0.00 H new ATOM 704 N GLU A 53 -3.434 13.608 7.313 1.00 0.00 N ATOM 705 CA GLU A 53 -3.076 14.936 6.830 1.00 0.00 C ATOM 706 C GLU A 53 -4.045 15.398 5.745 1.00 0.00 C ATOM 707 O GLU A 53 -3.773 16.357 5.021 1.00 0.00 O ATOM 708 CB GLU A 53 -1.646 14.937 6.286 1.00 0.00 C ATOM 709 CG GLU A 53 -1.373 13.824 5.289 1.00 0.00 C ATOM 710 CD GLU A 53 -0.006 13.941 4.643 1.00 0.00 C ATOM 711 OE1 GLU A 53 0.136 14.748 3.700 1.00 0.00 O ATOM 712 OE2 GLU A 53 0.921 13.227 5.080 1.00 0.00 O ATOM 0 H GLU A 53 -3.292 12.860 6.634 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.138 15.629 7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.448 15.897 5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.949 14.846 7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.450 12.861 5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.139 13.840 4.514 1.00 0.00 H new ATOM 719 N LYS A 54 -5.176 14.712 5.638 1.00 0.00 N ATOM 720 CA LYS A 54 -6.187 15.050 4.643 1.00 0.00 C ATOM 721 C LYS A 54 -5.653 14.840 3.230 1.00 0.00 C ATOM 722 O LYS A 54 -6.245 15.304 2.257 1.00 0.00 O ATOM 723 CB LYS A 54 -6.637 16.502 4.819 1.00 0.00 C ATOM 724 CG LYS A 54 -6.981 16.864 6.253 1.00 0.00 C ATOM 725 CD LYS A 54 -8.425 17.319 6.384 1.00 0.00 C ATOM 726 CE LYS A 54 -8.701 18.548 5.533 1.00 0.00 C ATOM 727 NZ LYS A 54 -9.773 18.300 4.530 1.00 0.00 N ATOM 0 H LYS A 54 -5.417 13.916 6.229 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.041 14.389 4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.846 17.164 4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.508 16.682 4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.811 16.002 6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.317 17.656 6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.091 16.510 6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.644 17.541 7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.992 19.378 6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.787 18.847 5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.931 19.162 3.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.485 17.525 3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.653 18.039 5.019 1.00 0.00 H new ATOM 741 N ASP A 55 -4.530 14.137 3.126 1.00 0.00 N ATOM 742 CA ASP A 55 -3.917 13.863 1.832 1.00 0.00 C ATOM 743 C ASP A 55 -4.327 12.487 1.317 1.00 0.00 C ATOM 744 O ASP A 55 -3.583 11.843 0.576 1.00 0.00 O ATOM 745 CB ASP A 55 -2.393 13.948 1.937 1.00 0.00 C ATOM 746 CG ASP A 55 -1.727 14.100 0.584 1.00 0.00 C ATOM 747 OD1 ASP A 55 -2.443 14.366 -0.403 1.00 0.00 O ATOM 748 OD2 ASP A 55 -0.489 13.951 0.512 1.00 0.00 O ATOM 0 H ASP A 55 -4.026 13.747 3.922 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.267 14.615 1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.122 14.794 2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.015 13.050 2.426 1.00 0.00 H new ATOM 753 N LEU A 56 -5.515 12.043 1.713 1.00 0.00 N ATOM 754 CA LEU A 56 -6.024 10.742 1.292 1.00 0.00 C ATOM 755 C LEU A 56 -6.306 10.727 -0.207 1.00 0.00 C ATOM 756 O LEU A 56 -6.558 9.674 -0.790 1.00 0.00 O ATOM 757 CB LEU A 56 -7.298 10.397 2.066 1.00 0.00 C ATOM 758 CG LEU A 56 -8.227 11.569 2.386 1.00 0.00 C ATOM 759 CD1 LEU A 56 -8.500 12.391 1.136 1.00 0.00 C ATOM 760 CD2 LEU A 56 -9.530 11.066 2.992 1.00 0.00 C ATOM 0 H LEU A 56 -6.143 12.564 2.324 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.261 9.993 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.860 9.660 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.012 9.920 3.003 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.734 12.210 3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.163 13.220 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.560 12.782 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.973 11.761 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.179 11.913 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.028 10.403 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.317 10.522 3.912 1.00 0.00 H new ATOM 772 N GLU A 57 -6.261 11.903 -0.824 1.00 0.00 N ATOM 773 CA GLU A 57 -6.509 12.025 -2.256 1.00 0.00 C ATOM 774 C GLU A 57 -5.572 11.120 -3.050 1.00 0.00 C ATOM 775 O GLU A 57 -5.949 10.571 -4.086 1.00 0.00 O ATOM 776 CB GLU A 57 -6.336 13.477 -2.706 1.00 0.00 C ATOM 777 CG GLU A 57 -7.586 14.323 -2.527 1.00 0.00 C ATOM 778 CD GLU A 57 -7.827 15.262 -3.692 1.00 0.00 C ATOM 779 OE1 GLU A 57 -7.275 16.382 -3.674 1.00 0.00 O ATOM 780 OE2 GLU A 57 -8.565 14.877 -4.623 1.00 0.00 O ATOM 0 H GLU A 57 -6.055 12.785 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.536 11.714 -2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.519 13.928 -2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.045 13.491 -3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.449 13.668 -2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.498 14.904 -1.609 1.00 0.00 H new ATOM 787 N LYS A 58 -4.347 10.969 -2.557 1.00 0.00 N ATOM 788 CA LYS A 58 -3.354 10.130 -3.218 1.00 0.00 C ATOM 789 C LYS A 58 -3.693 8.652 -3.051 1.00 0.00 C ATOM 790 O LYS A 58 -3.534 7.860 -3.981 1.00 0.00 O ATOM 791 CB LYS A 58 -1.960 10.412 -2.652 1.00 0.00 C ATOM 792 CG LYS A 58 -1.711 11.880 -2.353 1.00 0.00 C ATOM 793 CD LYS A 58 -2.099 12.762 -3.527 1.00 0.00 C ATOM 794 CE LYS A 58 -1.542 12.225 -4.836 1.00 0.00 C ATOM 795 NZ LYS A 58 -1.047 13.318 -5.718 1.00 0.00 N ATOM 0 H LYS A 58 -4.018 11.417 -1.702 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.363 10.369 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.825 9.835 -1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.211 10.062 -3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.281 12.174 -1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.658 12.030 -2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.185 12.826 -3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.729 13.774 -3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.728 11.531 -4.627 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.316 11.661 -5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.675 12.911 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.829 13.967 -5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.290 13.840 -5.232 1.00 0.00 H new ATOM 809 N LEU A 59 -4.160 8.287 -1.864 1.00 0.00 N ATOM 810 CA LEU A 59 -4.523 6.904 -1.575 1.00 0.00 C ATOM 811 C LEU A 59 -5.612 6.417 -2.525 1.00 0.00 C ATOM 812 O LEU A 59 -5.540 5.307 -3.052 1.00 0.00 O ATOM 813 CB LEU A 59 -4.997 6.771 -0.127 1.00 0.00 C ATOM 814 CG LEU A 59 -5.913 5.584 0.173 1.00 0.00 C ATOM 815 CD1 LEU A 59 -5.168 4.272 -0.021 1.00 0.00 C ATOM 816 CD2 LEU A 59 -6.465 5.680 1.588 1.00 0.00 C ATOM 0 H LEU A 59 -4.297 8.930 -1.084 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.637 6.285 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.120 6.699 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.520 7.687 0.149 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.750 5.611 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.836 3.439 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.822 4.199 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.312 4.237 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.115 4.827 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.641 5.679 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.036 6.603 1.694 1.00 0.00 H new ATOM 828 N ASP A 60 -6.619 7.256 -2.742 1.00 0.00 N ATOM 829 CA ASP A 60 -7.723 6.913 -3.631 1.00 0.00 C ATOM 830 C ASP A 60 -7.202 6.440 -4.985 1.00 0.00 C ATOM 831 O ASP A 60 -7.782 5.549 -5.608 1.00 0.00 O ATOM 832 CB ASP A 60 -8.648 8.117 -3.820 1.00 0.00 C ATOM 833 CG ASP A 60 -9.991 7.730 -4.403 1.00 0.00 C ATOM 834 OD1 ASP A 60 -10.289 6.517 -4.455 1.00 0.00 O ATOM 835 OD2 ASP A 60 -10.747 8.637 -4.808 1.00 0.00 O ATOM 0 H ASP A 60 -6.694 8.179 -2.314 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.287 6.100 -3.173 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.801 8.608 -2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.166 8.842 -4.476 1.00 0.00 H new ATOM 840 N LEU A 61 -6.106 7.042 -5.435 1.00 0.00 N ATOM 841 CA LEU A 61 -5.508 6.682 -6.716 1.00 0.00 C ATOM 842 C LEU A 61 -4.729 5.375 -6.606 1.00 0.00 C ATOM 843 O LEU A 61 -4.615 4.625 -7.576 1.00 0.00 O ATOM 844 CB LEU A 61 -4.583 7.801 -7.200 1.00 0.00 C ATOM 845 CG LEU A 61 -5.081 9.229 -6.975 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.034 10.236 -7.424 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.394 9.458 -7.711 1.00 0.00 C ATOM 0 H LEU A 61 -5.614 7.781 -4.932 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.312 6.544 -7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.620 7.691 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.407 7.663 -8.267 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.256 9.369 -5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.406 11.247 -7.256 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.118 10.087 -6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.827 10.097 -8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.734 10.479 -7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.245 9.299 -8.779 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.145 8.759 -7.342 1.00 0.00 H new ATOM 859 N VAL A 62 -4.199 5.107 -5.417 1.00 0.00 N ATOM 860 CA VAL A 62 -3.434 3.888 -5.179 1.00 0.00 C ATOM 861 C VAL A 62 -4.343 2.663 -5.166 1.00 0.00 C ATOM 862 O VAL A 62 -3.959 1.589 -5.628 1.00 0.00 O ATOM 863 CB VAL A 62 -2.668 3.959 -3.846 1.00 0.00 C ATOM 864 CG1 VAL A 62 -1.801 2.722 -3.661 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.824 5.223 -3.783 1.00 0.00 C ATOM 0 H VAL A 62 -4.285 5.717 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.719 3.797 -5.996 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.393 3.991 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.267 2.790 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.431 1.833 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.083 2.656 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.289 5.257 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.107 5.223 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.470 6.097 -3.866 1.00 0.00 H new ATOM 875 N ILE A 63 -5.548 2.834 -4.633 1.00 0.00 N ATOM 876 CA ILE A 63 -6.512 1.743 -4.561 1.00 0.00 C ATOM 877 C ILE A 63 -6.785 1.158 -5.943 1.00 0.00 C ATOM 878 O ILE A 63 -6.962 -0.051 -6.095 1.00 0.00 O ATOM 879 CB ILE A 63 -7.843 2.207 -3.942 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.616 2.725 -2.520 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.853 1.069 -3.941 1.00 0.00 C ATOM 882 CD1 ILE A 63 -6.977 1.707 -1.601 1.00 0.00 C ATOM 0 H ILE A 63 -5.880 3.717 -4.245 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.072 0.976 -3.924 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.243 3.021 -4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.984 3.612 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.572 3.034 -2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.789 1.413 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.033 0.742 -4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.462 0.236 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.846 2.143 -0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.618 0.829 -1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.006 1.415 -2.000 1.00 0.00 H new ATOM 894 N LYS A 64 -6.815 2.024 -6.951 1.00 0.00 N ATOM 895 CA LYS A 64 -7.062 1.595 -8.322 1.00 0.00 C ATOM 896 C LYS A 64 -5.848 0.869 -8.893 1.00 0.00 C ATOM 897 O LYS A 64 -5.980 0.009 -9.764 1.00 0.00 O ATOM 898 CB LYS A 64 -7.410 2.800 -9.200 1.00 0.00 C ATOM 899 CG LYS A 64 -8.554 3.637 -8.658 1.00 0.00 C ATOM 900 CD LYS A 64 -9.389 4.233 -9.779 1.00 0.00 C ATOM 901 CE LYS A 64 -10.532 3.310 -10.173 1.00 0.00 C ATOM 902 NZ LYS A 64 -11.657 4.057 -10.802 1.00 0.00 N ATOM 0 H LYS A 64 -6.671 3.028 -6.843 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.905 0.904 -8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.527 3.431 -9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.669 2.448 -10.199 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.187 3.020 -8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.157 4.438 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.790 5.196 -9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.756 4.420 -10.646 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.165 2.554 -10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.894 2.783 -9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.416 3.393 -11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.024 4.762 -10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.318 4.539 -11.659 1.00 0.00 H new ATOM 916 N TYR A 65 -4.668 1.221 -8.396 1.00 0.00 N ATOM 917 CA TYR A 65 -3.430 0.604 -8.858 1.00 0.00 C ATOM 918 C TYR A 65 -3.199 -0.737 -8.167 1.00 0.00 C ATOM 919 O TYR A 65 -2.680 -1.676 -8.769 1.00 0.00 O ATOM 920 CB TYR A 65 -2.244 1.535 -8.599 1.00 0.00 C ATOM 921 CG TYR A 65 -1.116 1.370 -9.593 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.321 1.593 -10.948 1.00 0.00 C ATOM 923 CD2 TYR A 65 0.154 0.990 -9.176 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.295 1.443 -11.860 1.00 0.00 C ATOM 925 CE2 TYR A 65 1.187 0.839 -10.080 1.00 0.00 C ATOM 926 CZ TYR A 65 0.958 1.066 -11.422 1.00 0.00 C ATOM 927 OH TYR A 65 1.984 0.916 -12.326 1.00 0.00 O ATOM 0 H TYR A 65 -4.542 1.930 -7.674 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.519 0.429 -9.930 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.591 2.568 -8.625 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.862 1.352 -7.595 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.300 1.889 -11.295 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.336 0.810 -8.127 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.472 1.620 -12.911 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.169 0.545 -9.739 1.00 0.00 H new ATOM 0 HH TYR A 65 2.800 0.648 -11.854 1.00 0.00 H new ATOM 937 N MET A 66 -3.590 -0.817 -6.899 1.00 0.00 N ATOM 938 CA MET A 66 -3.428 -2.043 -6.126 1.00 0.00 C ATOM 939 C MET A 66 -4.451 -3.092 -6.549 1.00 0.00 C ATOM 940 O MET A 66 -4.134 -4.277 -6.653 1.00 0.00 O ATOM 941 CB MET A 66 -3.569 -1.750 -4.632 1.00 0.00 C ATOM 942 CG MET A 66 -2.249 -1.433 -3.946 1.00 0.00 C ATOM 943 SD MET A 66 -2.363 -1.506 -2.149 1.00 0.00 S ATOM 944 CE MET A 66 -3.499 -0.160 -1.827 1.00 0.00 C ATOM 0 H MET A 66 -4.021 -0.048 -6.386 1.00 0.00 H new ATOM 0 HA MET A 66 -2.430 -2.436 -6.320 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.250 -0.909 -4.498 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.025 -2.611 -4.143 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.489 -2.137 -4.286 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.919 -0.438 -4.245 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.014 0.581 -1.191 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.789 0.304 -2.769 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.386 -0.545 -1.324 1.00 0.00 H new ATOM 954 N LYS A 67 -5.679 -2.649 -6.793 1.00 0.00 N ATOM 955 CA LYS A 67 -6.750 -3.549 -7.205 1.00 0.00 C ATOM 956 C LYS A 67 -6.489 -4.097 -8.605 1.00 0.00 C ATOM 957 O LYS A 67 -6.796 -5.254 -8.895 1.00 0.00 O ATOM 958 CB LYS A 67 -8.096 -2.822 -7.174 1.00 0.00 C ATOM 959 CG LYS A 67 -8.237 -1.755 -8.247 1.00 0.00 C ATOM 960 CD LYS A 67 -9.584 -1.056 -8.165 1.00 0.00 C ATOM 961 CE LYS A 67 -10.713 -1.968 -8.619 1.00 0.00 C ATOM 962 NZ LYS A 67 -10.537 -2.408 -10.030 1.00 0.00 N ATOM 0 H LYS A 67 -5.958 -1.671 -6.713 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.779 -4.384 -6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.897 -3.552 -7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.228 -2.361 -6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.438 -1.021 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.121 -2.210 -9.231 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.766 -0.733 -7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.568 -0.159 -8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.758 -2.842 -7.969 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.665 -1.446 -8.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.453 -2.714 -10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.169 -1.617 -10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.865 -3.201 -10.065 1.00 0.00 H new ATOM 976 N ARG A 68 -5.921 -3.262 -9.467 1.00 0.00 N ATOM 977 CA ARG A 68 -5.619 -3.664 -10.836 1.00 0.00 C ATOM 978 C ARG A 68 -4.327 -4.474 -10.892 1.00 0.00 C ATOM 979 O ARG A 68 -4.113 -5.257 -11.817 1.00 0.00 O ATOM 980 CB ARG A 68 -5.502 -2.433 -11.738 1.00 0.00 C ATOM 981 CG ARG A 68 -4.213 -1.653 -11.539 1.00 0.00 C ATOM 982 CD ARG A 68 -4.180 -0.404 -12.405 1.00 0.00 C ATOM 983 NE ARG A 68 -4.028 -0.724 -13.822 1.00 0.00 N ATOM 984 CZ ARG A 68 -3.988 0.193 -14.782 1.00 0.00 C ATOM 985 NH1 ARG A 68 -4.086 1.479 -14.480 1.00 0.00 N ATOM 986 NH2 ARG A 68 -3.848 -0.177 -16.049 1.00 0.00 N ATOM 0 H ARG A 68 -5.660 -2.302 -9.242 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.436 -4.291 -11.193 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.569 -2.748 -12.779 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.349 -1.773 -11.550 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.114 -1.373 -10.490 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.361 -2.288 -11.781 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.099 0.163 -12.258 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.356 0.236 -12.087 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.948 -1.705 -14.089 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.193 1.768 -13.508 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.055 2.180 -15.220 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.771 -1.166 -16.286 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.817 0.528 -16.786 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.469 -4.279 -9.897 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.198 -4.990 -9.833 1.00 0.00 C ATOM 1002 C LEU A 69 -2.380 -6.377 -9.223 1.00 0.00 C ATOM 1003 O LEU A 69 -2.021 -7.385 -9.832 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.183 -4.190 -9.012 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.387 -3.133 -9.778 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.352 -2.219 -8.812 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.589 -3.795 -10.741 1.00 0.00 C ATOM 0 H LEU A 69 -3.631 -3.634 -9.123 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.824 -5.106 -10.850 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.712 -3.697 -8.196 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.480 -4.889 -8.559 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.085 -2.528 -10.357 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.913 -1.473 -9.374 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.366 -1.719 -8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.039 -2.809 -8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.147 -3.028 -11.278 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.282 -4.424 -10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.037 -4.408 -11.454 1.00 0.00 H new ATOM 1019 N MET A 70 -2.941 -6.420 -8.020 1.00 0.00 N ATOM 1020 CA MET A 70 -3.174 -7.684 -7.330 1.00 0.00 C ATOM 1021 C MET A 70 -4.029 -8.617 -8.181 1.00 0.00 C ATOM 1022 O MET A 70 -3.965 -9.838 -8.034 1.00 0.00 O ATOM 1023 CB MET A 70 -3.855 -7.436 -5.982 1.00 0.00 C ATOM 1024 CG MET A 70 -2.877 -7.204 -4.842 1.00 0.00 C ATOM 1025 SD MET A 70 -3.224 -5.690 -3.928 1.00 0.00 S ATOM 1026 CE MET A 70 -1.655 -5.426 -3.103 1.00 0.00 C ATOM 0 H MET A 70 -3.243 -5.595 -7.502 1.00 0.00 H new ATOM 0 HA MET A 70 -2.208 -8.160 -7.158 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.511 -6.570 -6.069 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.486 -8.291 -5.740 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.913 -8.053 -4.159 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.864 -7.159 -5.241 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.662 -4.453 -2.611 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.499 -6.207 -2.359 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.849 -5.456 -3.836 1.00 0.00 H new ATOM 1036 N GLN A 71 -4.829 -8.036 -9.070 1.00 0.00 N ATOM 1037 CA GLN A 71 -5.696 -8.817 -9.942 1.00 0.00 C ATOM 1038 C GLN A 71 -4.880 -9.760 -10.820 1.00 0.00 C ATOM 1039 O GLN A 71 -5.246 -10.921 -11.007 1.00 0.00 O ATOM 1040 CB GLN A 71 -6.542 -7.891 -10.818 1.00 0.00 C ATOM 1041 CG GLN A 71 -7.939 -7.646 -10.272 1.00 0.00 C ATOM 1042 CD GLN A 71 -8.702 -6.606 -11.069 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -8.113 -5.815 -11.805 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -10.023 -6.602 -10.925 1.00 0.00 N ATOM 0 H GLN A 71 -4.894 -7.027 -9.205 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.356 -9.415 -9.314 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.029 -6.935 -10.923 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.621 -8.321 -11.816 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.496 -8.583 -10.276 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.868 -7.322 -9.234 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.470 -7.276 -10.304 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.590 -5.925 -11.436 1.00 0.00 H new ATOM 1053 N GLN A 72 -3.773 -9.254 -11.355 1.00 0.00 N ATOM 1054 CA GLN A 72 -2.906 -10.051 -12.213 1.00 0.00 C ATOM 1055 C GLN A 72 -2.458 -11.324 -11.503 1.00 0.00 C ATOM 1056 O GLN A 72 -2.146 -12.327 -12.144 1.00 0.00 O ATOM 1057 CB GLN A 72 -1.685 -9.235 -12.640 1.00 0.00 C ATOM 1058 CG GLN A 72 -0.593 -9.177 -11.584 1.00 0.00 C ATOM 1059 CD GLN A 72 0.161 -7.862 -11.596 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -0.149 -6.962 -12.377 1.00 0.00 O ATOM 1061 NE2 GLN A 72 1.158 -7.743 -10.727 1.00 0.00 N ATOM 0 H GLN A 72 -3.456 -8.296 -11.209 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.474 -10.332 -13.100 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.273 -9.664 -13.554 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.002 -8.220 -12.879 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.036 -9.328 -10.600 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.109 -9.995 -11.747 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.381 -8.514 -10.098 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.701 -6.880 -10.689 1.00 0.00 H new ATOM 1070 N SER A 73 -2.429 -11.276 -10.175 1.00 0.00 N ATOM 1071 CA SER A 73 -2.016 -12.424 -9.377 1.00 0.00 C ATOM 1072 C SER A 73 -3.205 -13.331 -9.072 1.00 0.00 C ATOM 1073 O SER A 73 -4.322 -12.860 -8.862 1.00 0.00 O ATOM 1074 CB SER A 73 -1.368 -11.958 -8.071 1.00 0.00 C ATOM 1075 OG SER A 73 -0.572 -10.804 -8.281 1.00 0.00 O ATOM 0 H SER A 73 -2.687 -10.454 -9.629 1.00 0.00 H new ATOM 0 HA SER A 73 -1.287 -12.992 -9.954 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.142 -11.741 -7.334 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.753 -12.759 -7.661 1.00 0.00 H new ATOM 0 HG SER A 73 -0.170 -10.525 -7.432 1.00 0.00 H new ATOM 1081 N VAL A 74 -2.955 -14.636 -9.051 1.00 0.00 N ATOM 1082 CA VAL A 74 -4.003 -15.610 -8.771 1.00 0.00 C ATOM 1083 C VAL A 74 -3.936 -16.090 -7.326 1.00 0.00 C ATOM 1084 O VAL A 74 -4.874 -16.708 -6.824 1.00 0.00 O ATOM 1085 CB VAL A 74 -3.902 -16.828 -9.710 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -3.912 -16.383 -11.164 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.652 -17.637 -9.399 1.00 0.00 C ATOM 0 H VAL A 74 -2.036 -15.043 -9.225 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.955 -15.107 -8.940 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.770 -17.466 -9.545 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.840 -17.256 -11.812 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.839 -15.850 -11.375 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.064 -15.723 -11.348 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.596 -18.493 -10.071 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.770 -17.011 -9.535 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.693 -17.987 -8.368 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.822 -15.800 -6.663 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.633 -16.202 -5.275 1.00 0.00 C ATOM 1099 C GLU A 75 -3.699 -15.580 -4.377 1.00 0.00 C ATOM 1100 O GLU A 75 -3.950 -14.376 -4.439 1.00 0.00 O ATOM 1101 CB GLU A 75 -1.241 -15.796 -4.787 1.00 0.00 C ATOM 1102 CG GLU A 75 -0.129 -16.138 -5.765 1.00 0.00 C ATOM 1103 CD GLU A 75 -0.227 -17.559 -6.286 1.00 0.00 C ATOM 1104 OE1 GLU A 75 -0.701 -18.436 -5.533 1.00 0.00 O ATOM 1105 OE2 GLU A 75 0.171 -17.794 -7.445 1.00 0.00 O ATOM 0 H GLU A 75 -2.037 -15.288 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.726 -17.287 -5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.230 -14.722 -4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.041 -16.289 -3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.163 -15.444 -6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.835 -16.000 -5.276 1.00 0.00 H new ATOM 1112 N SER A 76 -4.323 -16.408 -3.546 1.00 0.00 N ATOM 1113 CA SER A 76 -5.365 -15.940 -2.640 1.00 0.00 C ATOM 1114 C SER A 76 -4.801 -14.948 -1.629 1.00 0.00 C ATOM 1115 O SER A 76 -5.500 -14.044 -1.171 1.00 0.00 O ATOM 1116 CB SER A 76 -6.003 -17.123 -1.909 1.00 0.00 C ATOM 1117 OG SER A 76 -5.973 -18.294 -2.709 1.00 0.00 O ATOM 0 H SER A 76 -4.125 -17.407 -3.481 1.00 0.00 H new ATOM 0 HA SER A 76 -6.127 -15.434 -3.233 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.474 -17.304 -0.973 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.034 -16.882 -1.651 1.00 0.00 H new ATOM 0 HG SER A 76 -6.385 -19.036 -2.219 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.529 -15.122 -1.284 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.869 -14.243 -0.328 1.00 0.00 C ATOM 1125 C VAL A 77 -2.980 -12.784 -0.756 1.00 0.00 C ATOM 1126 O VAL A 77 -3.214 -11.900 0.068 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.381 -14.607 -0.165 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.683 -14.620 -1.517 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.697 -13.638 0.788 1.00 0.00 C ATOM 0 H VAL A 77 -2.935 -15.865 -1.653 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.375 -14.378 0.628 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.314 -15.608 0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.367 -14.879 -1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.158 -15.357 -2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.757 -13.633 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.353 -13.910 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.772 -12.625 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.181 -13.684 1.763 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.809 -12.539 -2.051 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.891 -11.186 -2.589 1.00 0.00 C ATOM 1141 C TRP A 78 -4.340 -10.719 -2.672 1.00 0.00 C ATOM 1142 O TRP A 78 -4.674 -9.621 -2.229 1.00 0.00 O ATOM 1143 CB TRP A 78 -2.243 -11.126 -3.974 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.746 -11.069 -3.927 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.126 -12.003 -4.409 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.054 -10.023 -3.365 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.419 -11.600 -4.181 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.403 -10.389 -3.543 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.236 -8.811 -2.731 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.455 -9.587 -3.108 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.809 -8.018 -2.300 1.00 0.00 C ATOM 1152 CH2 TRP A 78 2.142 -8.407 -2.491 1.00 0.00 C ATOM 0 H TRP A 78 -2.613 -13.259 -2.747 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.353 -10.520 -1.914 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.548 -12.001 -4.548 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.616 -10.250 -4.504 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -0.159 -12.923 -4.898 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.256 -12.119 -4.445 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.259 -8.501 -2.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.483 -9.886 -3.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.595 -7.081 -1.807 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.937 -7.763 -2.145 1.00 0.00 H new ATOM 1163 N ASN A 79 -5.197 -11.560 -3.241 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.611 -11.233 -3.382 1.00 0.00 C ATOM 1165 C ASN A 79 -7.218 -10.857 -2.034 1.00 0.00 C ATOM 1166 O ASN A 79 -7.916 -9.850 -1.916 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.371 -12.415 -3.985 1.00 0.00 C ATOM 1168 CG ASN A 79 -7.077 -12.600 -5.461 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.624 -11.894 -6.308 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -6.209 -13.554 -5.776 1.00 0.00 N ATOM 0 H ASN A 79 -4.937 -12.474 -3.612 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.696 -10.376 -4.051 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.106 -13.326 -3.448 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.442 -12.263 -3.847 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.972 -13.725 -6.753 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.779 -14.116 -5.041 1.00 0.00 H new ATOM 1177 N MET A 80 -6.948 -11.673 -1.021 1.00 0.00 N ATOM 1178 CA MET A 80 -7.466 -11.425 0.320 1.00 0.00 C ATOM 1179 C MET A 80 -6.757 -10.239 0.966 1.00 0.00 C ATOM 1180 O MET A 80 -7.363 -9.477 1.719 1.00 0.00 O ATOM 1181 CB MET A 80 -7.302 -12.670 1.192 1.00 0.00 C ATOM 1182 CG MET A 80 -7.917 -13.922 0.587 1.00 0.00 C ATOM 1183 SD MET A 80 -9.706 -13.987 0.795 1.00 0.00 S ATOM 1184 CE MET A 80 -10.138 -15.265 -0.382 1.00 0.00 C ATOM 0 H MET A 80 -6.374 -12.512 -1.103 1.00 0.00 H new ATOM 0 HA MET A 80 -8.527 -11.188 0.235 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.240 -12.844 1.366 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.758 -12.485 2.165 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.677 -13.963 -0.475 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.469 -14.802 1.049 1.00 0.00 H new ATOM 0 HE1 MET A 80 -11.217 -15.421 -0.370 1.00 0.00 H new ATOM 0 HE2 MET A 80 -9.826 -14.960 -1.381 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.634 -16.193 -0.112 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.470 -10.091 0.669 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.679 -8.998 1.219 1.00 0.00 C ATOM 1196 C ALA A 81 -5.291 -7.646 0.866 1.00 0.00 C ATOM 1197 O ALA A 81 -5.381 -6.754 1.711 1.00 0.00 O ATOM 1198 CB ALA A 81 -3.246 -9.078 0.718 1.00 0.00 C ATOM 0 H ALA A 81 -4.953 -10.715 0.050 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.677 -9.095 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.667 -8.255 1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.805 -10.026 1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.237 -9.011 -0.370 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.708 -7.500 -0.387 1.00 0.00 N ATOM 1205 CA PHE A 82 -6.309 -6.255 -0.853 1.00 0.00 C ATOM 1206 C PHE A 82 -7.565 -5.926 -0.053 1.00 0.00 C ATOM 1207 O PHE A 82 -7.730 -4.806 0.431 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.649 -6.355 -2.341 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.467 -5.201 -2.847 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -7.004 -3.900 -2.726 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.699 -5.416 -3.444 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.754 -2.837 -3.191 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -9.453 -4.356 -3.911 1.00 0.00 C ATOM 1214 CZ PHE A 82 -8.980 -3.065 -3.783 1.00 0.00 C ATOM 0 H PHE A 82 -5.641 -8.228 -1.098 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.586 -5.453 -0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.724 -6.413 -2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.193 -7.282 -2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.046 -3.715 -2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.074 -6.424 -3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.381 -1.828 -3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.411 -4.537 -4.375 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.568 -2.235 -4.145 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.449 -6.909 0.081 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.692 -6.725 0.822 1.00 0.00 C ATOM 1226 C ASP A 83 -9.415 -6.172 2.217 1.00 0.00 C ATOM 1227 O ASP A 83 -10.151 -5.321 2.716 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.450 -8.049 0.925 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.301 -8.325 -0.300 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -11.032 -7.719 -1.357 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -12.234 -9.149 -0.200 1.00 0.00 O ATOM 0 H ASP A 83 -8.328 -7.842 -0.314 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.307 -6.006 0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.738 -8.863 1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.086 -8.032 1.810 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.351 -6.664 2.842 1.00 0.00 N ATOM 1237 CA PHE A 84 -7.978 -6.222 4.181 1.00 0.00 C ATOM 1238 C PHE A 84 -7.337 -4.839 4.138 1.00 0.00 C ATOM 1239 O PHE A 84 -7.755 -3.927 4.853 1.00 0.00 O ATOM 1240 CB PHE A 84 -7.014 -7.223 4.822 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.640 -6.875 6.234 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -7.391 -7.341 7.300 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -5.535 -6.079 6.495 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -7.049 -7.022 8.600 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -5.188 -5.757 7.794 1.00 0.00 C ATOM 1246 CZ PHE A 84 -5.946 -6.229 8.847 1.00 0.00 C ATOM 0 H PHE A 84 -7.731 -7.369 2.443 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.885 -6.165 4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.469 -8.213 4.809 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.108 -7.281 4.218 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.255 -7.962 7.113 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.939 -5.707 5.675 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.644 -7.392 9.422 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.325 -5.137 7.985 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.677 -5.978 9.862 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.320 -4.690 3.295 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.622 -3.417 3.158 1.00 0.00 C ATOM 1258 C ILE A 85 -6.603 -2.276 2.910 1.00 0.00 C ATOM 1259 O ILE A 85 -6.642 -1.301 3.661 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.598 -3.459 2.009 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.557 -4.551 2.263 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -3.925 -2.104 1.850 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -3.040 -5.199 0.998 1.00 0.00 C ATOM 0 H ILE A 85 -5.961 -5.434 2.697 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.096 -3.242 4.096 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.123 -3.693 1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.718 -4.122 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.995 -5.318 2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.204 -2.149 1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.678 -1.348 1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.411 -1.843 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.306 -5.963 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.869 -5.658 0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.572 -4.443 0.367 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.395 -2.405 1.851 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.379 -1.385 1.503 1.00 0.00 C ATOM 1277 C LEU A 86 -9.378 -1.184 2.637 1.00 0.00 C ATOM 1278 O LEU A 86 -9.830 -0.066 2.889 1.00 0.00 O ATOM 1279 CB LEU A 86 -9.115 -1.775 0.220 1.00 0.00 C ATOM 1280 CG LEU A 86 -10.203 -2.839 0.369 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.547 -2.192 0.670 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -10.290 -3.692 -0.888 1.00 0.00 C ATOM 0 H LEU A 86 -7.375 -3.205 1.219 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.851 -0.446 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.567 -0.878 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.381 -2.133 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.939 -3.485 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.308 -2.965 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.478 -1.625 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.819 -1.521 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.069 -4.444 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.529 -3.058 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.334 -4.186 -1.060 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.720 -2.272 3.318 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.664 -2.215 4.427 1.00 0.00 C ATOM 1296 C ASP A 87 -10.093 -1.404 5.586 1.00 0.00 C ATOM 1297 O ASP A 87 -10.830 -0.744 6.317 1.00 0.00 O ATOM 1298 CB ASP A 87 -11.014 -3.627 4.900 1.00 0.00 C ATOM 1299 CG ASP A 87 -11.810 -3.625 6.191 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -12.672 -2.737 6.355 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -11.569 -4.511 7.036 1.00 0.00 O ATOM 0 H ASP A 87 -9.357 -3.205 3.121 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.571 -1.723 4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.587 -4.135 4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.096 -4.197 5.044 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.775 -1.461 5.749 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.105 -0.733 6.819 1.00 0.00 C ATOM 1308 C ASN A 88 -8.142 0.770 6.563 1.00 0.00 C ATOM 1309 O ASN A 88 -8.454 1.556 7.457 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.654 -1.203 6.954 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.511 -2.371 7.910 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -5.614 -2.392 8.752 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.398 -3.352 7.784 1.00 0.00 N ATOM 0 H ASN A 88 -8.150 -2.004 5.153 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.635 -0.938 7.749 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.276 -1.491 5.973 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.038 -0.374 7.302 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.351 -4.164 8.400 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.126 -3.293 7.072 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.823 1.163 5.333 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.822 2.572 4.957 1.00 0.00 C ATOM 1322 C VAL A 89 -9.242 3.113 4.850 1.00 0.00 C ATOM 1323 O VAL A 89 -9.487 4.294 5.095 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.097 2.794 3.616 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.648 2.340 3.710 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.820 2.065 2.493 1.00 0.00 C ATOM 0 H VAL A 89 -7.562 0.525 4.581 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.290 3.109 5.742 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.105 3.861 3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.152 2.505 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.138 2.910 4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.614 1.279 3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.294 2.233 1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.845 0.997 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.839 2.443 2.411 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.176 2.242 4.483 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.574 2.632 4.343 1.00 0.00 C ATOM 1338 C GLN A 90 -12.234 2.791 5.709 1.00 0.00 C ATOM 1339 O GLN A 90 -13.112 3.634 5.892 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.334 1.598 3.512 1.00 0.00 C ATOM 1341 CG GLN A 90 -11.995 1.638 2.031 1.00 0.00 C ATOM 1342 CD GLN A 90 -12.744 2.729 1.290 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -13.789 2.481 0.687 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.213 3.944 1.333 1.00 0.00 N ATOM 0 H GLN A 90 -9.990 1.261 4.277 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.607 3.593 3.830 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.116 0.603 3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.405 1.761 3.635 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.923 1.793 1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.229 0.673 1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.345 4.104 1.845 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.672 4.719 0.854 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.806 1.973 6.665 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.355 2.022 8.015 1.00 0.00 C ATOM 1355 C VAL A 91 -11.835 3.236 8.776 1.00 0.00 C ATOM 1356 O VAL A 91 -12.607 3.985 9.375 1.00 0.00 O ATOM 1357 CB VAL A 91 -12.011 0.747 8.808 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.215 0.974 10.298 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -12.848 -0.426 8.320 1.00 0.00 C ATOM 0 H VAL A 91 -11.081 1.268 6.530 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.438 2.097 7.913 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.961 0.509 8.641 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.967 0.063 10.842 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.569 1.785 10.634 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.256 1.238 10.487 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.592 -1.318 8.891 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.906 -0.200 8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.647 -0.602 7.263 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.519 3.425 8.749 1.00 0.00 N ATOM 1370 CA VAL A 92 -9.895 4.551 9.434 1.00 0.00 C ATOM 1371 C VAL A 92 -10.534 5.871 9.020 1.00 0.00 C ATOM 1372 O VAL A 92 -10.825 6.724 9.859 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.383 4.613 9.148 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.122 4.608 7.649 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.768 5.843 9.800 1.00 0.00 C ATOM 0 H VAL A 92 -9.865 2.813 8.260 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.050 4.396 10.502 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.913 3.728 9.577 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.048 4.652 7.466 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.527 3.695 7.212 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.603 5.473 7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.699 5.871 9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.241 6.741 9.402 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.923 5.799 10.878 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.752 6.034 7.719 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.359 7.251 7.192 1.00 0.00 C ATOM 1387 C LEU A 93 -12.855 7.285 7.485 1.00 0.00 C ATOM 1388 O LEU A 93 -13.454 8.356 7.577 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.121 7.351 5.684 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.221 6.774 4.791 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.271 7.832 4.489 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.628 6.225 3.502 1.00 0.00 C ATOM 0 H LEU A 93 -10.517 5.339 7.010 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.892 8.103 7.685 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.986 8.401 5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.186 6.842 5.449 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.703 5.954 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.046 7.404 3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.717 8.178 5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.804 8.673 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.425 5.819 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.120 7.026 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.913 5.436 3.737 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.450 6.106 7.635 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.877 6.002 7.920 1.00 0.00 C ATOM 1406 C GLN A 94 -15.191 6.518 9.320 1.00 0.00 C ATOM 1407 O GLN A 94 -16.315 6.932 9.601 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.341 4.552 7.781 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.733 4.303 8.341 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.179 2.863 8.178 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.296 2.592 7.738 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.304 1.929 8.533 1.00 0.00 N ATOM 0 H GLN A 94 -12.967 5.210 7.564 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.413 6.618 7.198 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.327 4.274 6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.631 3.901 8.292 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.747 4.566 9.399 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.445 4.959 7.840 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.389 2.198 8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.548 0.942 8.445 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.191 6.489 10.194 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.362 6.952 11.566 1.00 0.00 C ATOM 1423 C GLN A 95 -14.288 8.474 11.640 1.00 0.00 C ATOM 1424 O GLN A 95 -14.974 9.102 12.447 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.296 6.335 12.473 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.219 4.819 12.376 1.00 0.00 C ATOM 1427 CD GLN A 95 -12.774 4.174 13.674 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.598 3.806 14.513 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.465 4.032 13.847 1.00 0.00 N ATOM 0 H GLN A 95 -13.254 6.150 9.977 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.347 6.636 11.908 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.324 6.757 12.217 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.503 6.615 13.506 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.196 4.426 12.096 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.525 4.544 11.581 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.818 4.351 13.126 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.107 3.604 14.701 1.00 0.00 H new ATOM 1438 N THR A 96 -13.451 9.063 10.791 1.00 0.00 N ATOM 1439 CA THR A 96 -13.286 10.511 10.760 1.00 0.00 C ATOM 1440 C THR A 96 -14.318 11.162 9.847 1.00 0.00 C ATOM 1441 O THR A 96 -14.758 12.285 10.093 1.00 0.00 O ATOM 1442 CB THR A 96 -11.876 10.906 10.286 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.642 12.295 10.547 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.706 10.629 8.799 1.00 0.00 C ATOM 0 H THR A 96 -12.877 8.559 10.115 1.00 0.00 H new ATOM 0 HA THR A 96 -13.431 10.867 11.780 1.00 0.00 H new ATOM 0 HB THR A 96 -11.151 10.306 10.836 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.742 12.538 10.244 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.702 10.916 8.488 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.855 9.566 8.607 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.439 11.206 8.235 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.701 10.450 8.793 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.681 10.961 7.841 1.00 0.00 C ATOM 1454 C TYR A 97 -17.075 10.427 8.155 1.00 0.00 C ATOM 1455 O TYR A 97 -18.026 11.193 8.307 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.285 10.576 6.414 1.00 0.00 C ATOM 1457 CG TYR A 97 -14.168 11.422 5.847 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.407 12.714 5.395 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.871 10.929 5.764 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.389 13.490 4.876 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.846 11.698 5.249 1.00 0.00 C ATOM 1462 CZ TYR A 97 -12.109 12.977 4.805 1.00 0.00 C ATOM 1463 OH TYR A 97 -11.092 13.747 4.290 1.00 0.00 O ATOM 0 H TYR A 97 -14.348 9.518 8.576 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.700 12.048 7.926 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.980 9.530 6.400 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -16.159 10.662 5.768 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.407 13.119 5.450 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.661 9.927 6.108 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.593 14.492 4.528 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.844 11.300 5.194 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.235 13.443 4.655 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.188 9.105 8.251 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.469 8.491 8.548 1.00 0.00 C ATOM 1475 C GLY A 98 -18.910 7.521 7.468 1.00 0.00 C ATOM 1476 O GLY A 98 -19.777 6.679 7.697 1.00 0.00 O ATOM 0 H GLY A 98 -16.416 8.450 8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.405 7.965 9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.224 9.269 8.664 1.00 0.00 H new ATOM 1480 N SER A 99 -18.314 7.643 6.286 1.00 0.00 N ATOM 1481 CA SER A 99 -18.654 6.774 5.165 1.00 0.00 C ATOM 1482 C SER A 99 -17.400 6.149 4.562 1.00 0.00 C ATOM 1483 O SER A 99 -16.305 6.267 5.114 1.00 0.00 O ATOM 1484 CB SER A 99 -19.410 7.562 4.094 1.00 0.00 C ATOM 1485 OG SER A 99 -20.090 6.692 3.206 1.00 0.00 O ATOM 0 H SER A 99 -17.594 8.335 6.080 1.00 0.00 H new ATOM 0 HA SER A 99 -19.294 5.974 5.538 1.00 0.00 H new ATOM 0 HB2 SER A 99 -20.125 8.234 4.569 1.00 0.00 H new ATOM 0 HB3 SER A 99 -18.711 8.184 3.535 1.00 0.00 H new ATOM 0 HG SER A 99 -20.567 7.220 2.532 1.00 0.00 H new ATOM 1491 N THR A 100 -17.567 5.482 3.425 1.00 0.00 N ATOM 1492 CA THR A 100 -16.450 4.836 2.746 1.00 0.00 C ATOM 1493 C THR A 100 -16.509 5.076 1.242 1.00 0.00 C ATOM 1494 O THR A 100 -17.484 5.625 0.728 1.00 0.00 O ATOM 1495 CB THR A 100 -16.434 3.319 3.011 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.499 2.684 2.297 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.570 3.028 4.499 1.00 0.00 C ATOM 0 H THR A 100 -18.465 5.375 2.954 1.00 0.00 H new ATOM 0 HA THR A 100 -15.538 5.278 3.147 1.00 0.00 H new ATOM 0 HB THR A 100 -15.479 2.923 2.664 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.480 1.720 2.470 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.556 1.950 4.662 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.740 3.487 5.037 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.511 3.438 4.865 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.460 4.661 0.541 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.392 4.830 -0.907 1.00 0.00 C ATOM 1507 C LEU A 101 -16.018 3.639 -1.624 1.00 0.00 C ATOM 1508 O LEU A 101 -16.112 2.545 -1.068 1.00 0.00 O ATOM 1509 CB LEU A 101 -13.939 5.003 -1.352 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.277 6.331 -0.982 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -11.817 6.337 -1.409 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -14.025 7.495 -1.614 1.00 0.00 C ATOM 0 H LEU A 101 -14.645 4.205 0.951 1.00 0.00 H new ATOM 0 HA LEU A 101 -15.955 5.725 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.349 4.194 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.896 4.888 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.318 6.446 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.362 7.290 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.288 5.527 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.753 6.199 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.539 8.431 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -14.017 7.387 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.055 7.502 -1.257 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.441 3.857 -2.865 1.00 0.00 N ATOM 1525 CA LYS A 102 -17.054 2.802 -3.662 1.00 0.00 C ATOM 1526 C LYS A 102 -16.012 2.096 -4.524 1.00 0.00 C ATOM 1527 O LYS A 102 -15.338 2.725 -5.340 1.00 0.00 O ATOM 1528 CB LYS A 102 -18.159 3.379 -4.549 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.899 2.331 -5.360 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.684 1.385 -4.466 1.00 0.00 C ATOM 1531 CE LYS A 102 -20.195 0.181 -5.241 1.00 0.00 C ATOM 1532 NZ LYS A 102 -19.401 -1.045 -4.950 1.00 0.00 N ATOM 0 H LYS A 102 -16.370 4.757 -3.341 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.490 2.073 -2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.874 3.913 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.722 4.110 -5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.578 2.822 -6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.186 1.762 -5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -19.050 1.049 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.525 1.917 -4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -21.241 0.004 -4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -20.156 0.394 -6.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -19.781 -1.843 -5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -18.408 -0.886 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -19.459 -1.263 -3.935 1.00 0.00 H new ATOM 1546 N VAL A 103 -15.887 0.785 -4.340 1.00 0.00 N ATOM 1547 CA VAL A 103 -14.928 -0.006 -5.103 1.00 0.00 C ATOM 1548 C VAL A 103 -15.612 -0.737 -6.253 1.00 0.00 C ATOM 1549 O VAL A 103 -15.872 -1.938 -6.174 1.00 0.00 O ATOM 1550 CB VAL A 103 -14.212 -1.035 -4.209 1.00 0.00 C ATOM 1551 CG1 VAL A 103 -15.224 -1.880 -3.450 1.00 0.00 C ATOM 1552 CG2 VAL A 103 -13.289 -1.912 -5.041 1.00 0.00 C ATOM 0 H VAL A 103 -16.438 0.249 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.191 0.690 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 103 -13.605 -0.497 -3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -14.699 -2.601 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.839 -1.235 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.860 -2.410 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -12.791 -2.633 -4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -13.872 -2.442 -5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -12.541 -1.290 -5.533 1.00 0.00 H new ATOM 1562 N THR A 104 -15.902 -0.004 -7.324 1.00 0.00 N ATOM 1563 CA THR A 104 -16.556 -0.582 -8.491 1.00 0.00 C ATOM 1564 C THR A 104 -15.623 -1.535 -9.229 1.00 0.00 C ATOM 1565 O THR A 104 -15.899 -1.940 -10.359 1.00 0.00 O ATOM 1566 CB THR A 104 -17.034 0.510 -9.467 1.00 0.00 C ATOM 1567 OG1 THR A 104 -15.906 1.188 -10.032 1.00 0.00 O ATOM 1568 CG2 THR A 104 -17.931 1.514 -8.757 1.00 0.00 C ATOM 0 H THR A 104 -15.694 0.991 -7.407 1.00 0.00 H new ATOM 0 HA THR A 104 -17.421 -1.135 -8.126 1.00 0.00 H new ATOM 0 HB THR A 104 -17.607 0.032 -10.262 1.00 0.00 H new ATOM 0 HG1 THR A 104 -16.217 1.880 -10.653 1.00 0.00 H new ATOM 0 HG21 THR A 104 -18.257 2.276 -9.465 1.00 0.00 H new ATOM 0 HG22 THR A 104 -18.802 1.000 -8.351 1.00 0.00 H new ATOM 0 HG23 THR A 104 -17.377 1.986 -7.945 1.00 0.00 H new TER 1576 THR A 104