USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 873 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 67 THR OG1 : rot 100:sc= 0.0488 USER MOD Set 1.2: A 145 THR OG1 : rot 180:sc= 0.05 USER MOD Set 2.1: A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 120 TYR OH : rot 60:sc= 0 USER MOD Set 3.1: A 111 THR OG1 : rot 180:sc= 0.0469 USER MOD Set 3.2: A 142 THR OG1 : rot -101:sc= 0.0451 USER MOD Set 4.1: A 71 GLN : amide:sc= 0.262 X(o=0.38,f=-0.033) USER MOD Set 4.2: A 81 GLN : amide:sc= 0.117 X(o=0.38,f=0.15) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0.036) USER MOD Single : A 47 LYS NZ :NH3+ -136:sc= -0.791 (180deg=-2.34) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 99:sc= 0.334 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -114:sc= 1.06 (180deg=-0.955) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot -160:sc= -0.01 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.072 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 102 SER OG : rot -12:sc= 0.266 USER MOD Single : A 106 MET CE :methyl -136:sc= 0 (180deg=-1.72) USER MOD Single : A 113 MET CE :methyl 180:sc= -0.206 (180deg=-0.206) USER MOD Single : A 115 THR OG1 : rot -97:sc= 0.414 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot -160:sc= -0.756 USER MOD Single : A 122 TYR OH : rot 35:sc= 0.656 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 128 SER OG : rot -21:sc= 0.668 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 138 CYS SG : rot 180:sc= -0.205 USER MOD Single : A 144 LYS NZ :NH3+ 162:sc= 1.18 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 42 N GLU A 35 -5.180 22.204 0.361 1.00 0.00 N ATOM 43 CA GLU A 35 -4.036 21.253 0.167 1.00 0.00 C ATOM 44 C GLU A 35 -4.411 19.739 -0.048 1.00 0.00 C ATOM 45 O GLU A 35 -5.481 19.251 0.337 1.00 0.00 O ATOM 46 CB GLU A 35 -2.950 21.559 1.258 1.00 0.00 C ATOM 47 CG GLU A 35 -1.551 20.897 1.158 1.00 0.00 C ATOM 48 CD GLU A 35 -0.791 21.048 -0.152 1.00 0.00 C ATOM 49 OE1 GLU A 35 -0.458 22.188 -0.532 1.00 0.00 O ATOM 50 OE2 GLU A 35 -0.507 20.012 -0.791 1.00 0.00 O ATOM 0 HA GLU A 35 -3.596 21.442 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.799 22.638 1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.372 21.283 2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.929 21.304 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.669 19.832 1.357 1.00 0.00 H new ATOM 57 N TRP A 36 -3.480 18.986 -0.667 1.00 0.00 N ATOM 58 CA TRP A 36 -3.522 17.497 -0.715 1.00 0.00 C ATOM 59 C TRP A 36 -3.241 16.885 0.696 1.00 0.00 C ATOM 60 O TRP A 36 -2.555 17.476 1.537 1.00 0.00 O ATOM 61 CB TRP A 36 -2.484 16.969 -1.752 1.00 0.00 C ATOM 62 CG TRP A 36 -2.825 17.078 -3.253 1.00 0.00 C ATOM 63 CD1 TRP A 36 -3.429 18.171 -3.921 1.00 0.00 C ATOM 64 CD2 TRP A 36 -2.608 16.126 -4.244 1.00 0.00 C ATOM 65 NE1 TRP A 36 -3.621 17.913 -5.290 1.00 0.00 N ATOM 66 CE2 TRP A 36 -3.109 16.641 -5.468 1.00 0.00 C ATOM 67 CE3 TRP A 36 -2.070 14.814 -4.190 1.00 0.00 C ATOM 68 CZ2 TRP A 36 -3.110 15.834 -6.633 1.00 0.00 C ATOM 69 CZ3 TRP A 36 -2.074 14.041 -5.350 1.00 0.00 C ATOM 70 CH2 TRP A 36 -2.584 14.543 -6.553 1.00 0.00 C ATOM 0 H TRP A 36 -2.675 19.385 -1.150 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.521 17.189 -1.023 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.548 17.501 -1.585 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.297 15.918 -1.529 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.709 19.094 -3.436 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.041 18.524 -5.991 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.665 14.422 -3.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.509 16.210 -7.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.677 13.037 -5.320 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.570 13.920 -7.435 1.00 0.00 H new ATOM 81 N LEU A 37 -3.797 15.689 0.945 1.00 0.00 N ATOM 82 CA LEU A 37 -3.768 15.046 2.282 1.00 0.00 C ATOM 83 C LEU A 37 -2.420 14.295 2.482 1.00 0.00 C ATOM 84 O LEU A 37 -2.254 13.160 2.022 1.00 0.00 O ATOM 85 CB LEU A 37 -4.991 14.091 2.470 1.00 0.00 C ATOM 86 CG LEU A 37 -6.439 14.666 2.544 1.00 0.00 C ATOM 87 CD1 LEU A 37 -6.611 15.765 3.611 1.00 0.00 C ATOM 88 CD2 LEU A 37 -7.017 15.119 1.186 1.00 0.00 C ATOM 0 H LEU A 37 -4.278 15.138 0.235 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.843 15.820 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.970 13.376 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.821 13.527 3.387 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.034 13.809 2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.642 16.119 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.371 15.359 4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.942 16.596 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.026 15.505 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.386 15.902 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.047 14.271 0.502 1.00 0.00 H new ATOM 100 N ASP A 38 -1.468 14.937 3.193 1.00 0.00 N ATOM 101 CA ASP A 38 -0.199 14.286 3.621 1.00 0.00 C ATOM 102 C ASP A 38 -0.420 13.281 4.800 1.00 0.00 C ATOM 103 O ASP A 38 -0.950 13.623 5.863 1.00 0.00 O ATOM 104 CB ASP A 38 0.963 15.294 3.840 1.00 0.00 C ATOM 105 CG ASP A 38 0.736 16.555 4.677 1.00 0.00 C ATOM 106 OD1 ASP A 38 0.968 16.521 5.900 1.00 0.00 O ATOM 107 OD2 ASP A 38 0.373 17.604 4.090 1.00 0.00 O ATOM 0 H ASP A 38 -1.550 15.910 3.487 1.00 0.00 H new ATOM 0 HA ASP A 38 0.139 13.675 2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.786 14.745 4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.303 15.615 2.855 1.00 0.00 H new ATOM 112 N ILE A 39 -0.053 12.009 4.548 1.00 0.00 N ATOM 113 CA ILE A 39 -0.454 10.849 5.395 1.00 0.00 C ATOM 114 C ILE A 39 0.618 10.702 6.522 1.00 0.00 C ATOM 115 O ILE A 39 0.395 11.182 7.638 1.00 0.00 O ATOM 116 CB ILE A 39 -0.735 9.547 4.545 1.00 0.00 C ATOM 117 CG1 ILE A 39 -1.622 9.748 3.277 1.00 0.00 C ATOM 118 CG2 ILE A 39 -1.330 8.430 5.445 1.00 0.00 C ATOM 119 CD1 ILE A 39 -1.592 8.585 2.272 1.00 0.00 C ATOM 0 H ILE A 39 0.530 11.748 3.753 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.418 11.023 5.872 1.00 0.00 H new ATOM 0 HB ILE A 39 0.241 9.252 4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.652 9.908 3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.301 10.657 2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.518 7.540 4.844 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.624 8.189 6.240 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.266 8.776 5.883 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.239 8.818 1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.572 8.436 1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.944 7.675 2.758 1.00 0.00 H new ATOM 131 N LEU A 40 1.770 10.072 6.215 1.00 0.00 N ATOM 132 CA LEU A 40 2.941 9.989 7.102 1.00 0.00 C ATOM 133 C LEU A 40 4.153 10.385 6.225 1.00 0.00 C ATOM 134 O LEU A 40 4.470 9.753 5.210 1.00 0.00 O ATOM 135 CB LEU A 40 3.061 8.558 7.683 1.00 0.00 C ATOM 136 CG LEU A 40 3.977 8.406 8.921 1.00 0.00 C ATOM 137 CD1 LEU A 40 3.697 7.072 9.644 1.00 0.00 C ATOM 138 CD2 LEU A 40 5.489 8.527 8.626 1.00 0.00 C ATOM 0 H LEU A 40 1.912 9.597 5.323 1.00 0.00 H new ATOM 0 HA LEU A 40 2.871 10.652 7.964 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.063 8.210 7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.431 7.898 6.898 1.00 0.00 H new ATOM 0 HG LEU A 40 3.725 9.251 9.562 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.351 6.984 10.512 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.657 7.046 9.969 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.885 6.242 8.962 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.051 8.407 9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.785 7.752 7.919 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.699 9.507 8.198 1.00 0.00 H new ATOM 150 N GLY A 41 4.819 11.441 6.680 1.00 0.00 N ATOM 151 CA GLY A 41 6.073 11.940 6.077 1.00 0.00 C ATOM 152 C GLY A 41 6.447 13.408 6.370 1.00 0.00 C ATOM 153 O GLY A 41 7.445 13.864 5.809 1.00 0.00 O ATOM 0 H GLY A 41 4.510 11.987 7.484 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.891 11.306 6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.004 11.816 4.996 1.00 0.00 H new ATOM 157 N ASN A 42 5.674 14.159 7.190 1.00 0.00 N ATOM 158 CA ASN A 42 5.767 15.649 7.301 1.00 0.00 C ATOM 159 C ASN A 42 5.762 16.410 5.931 1.00 0.00 C ATOM 160 O ASN A 42 6.701 17.139 5.594 1.00 0.00 O ATOM 161 CB ASN A 42 6.814 16.116 8.360 1.00 0.00 C ATOM 162 CG ASN A 42 8.305 15.797 8.107 1.00 0.00 C ATOM 163 OD1 ASN A 42 8.993 16.493 7.362 1.00 0.00 O ATOM 164 ND2 ASN A 42 8.829 14.741 8.715 1.00 0.00 N ATOM 0 H ASN A 42 4.963 13.754 7.799 1.00 0.00 H new ATOM 0 HA ASN A 42 4.818 15.979 7.724 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.719 17.197 8.467 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.538 15.675 9.318 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.809 14.501 8.566 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.252 14.169 9.331 1.00 0.00 H new ATOM 171 N GLY A 43 4.701 16.177 5.135 1.00 0.00 N ATOM 172 CA GLY A 43 4.613 16.651 3.738 1.00 0.00 C ATOM 173 C GLY A 43 5.481 15.919 2.689 1.00 0.00 C ATOM 174 O GLY A 43 6.226 16.591 1.969 1.00 0.00 O ATOM 0 H GLY A 43 3.880 15.655 5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.572 16.582 3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.882 17.707 3.722 1.00 0.00 H new ATOM 178 N LEU A 44 5.363 14.578 2.578 1.00 0.00 N ATOM 179 CA LEU A 44 6.084 13.782 1.540 1.00 0.00 C ATOM 180 C LEU A 44 5.077 12.912 0.730 1.00 0.00 C ATOM 181 O LEU A 44 4.892 13.176 -0.463 1.00 0.00 O ATOM 182 CB LEU A 44 7.274 12.981 2.147 1.00 0.00 C ATOM 183 CG LEU A 44 8.482 13.802 2.690 1.00 0.00 C ATOM 184 CD1 LEU A 44 9.477 12.882 3.420 1.00 0.00 C ATOM 185 CD2 LEU A 44 9.235 14.609 1.613 1.00 0.00 C ATOM 0 H LEU A 44 4.775 14.015 3.193 1.00 0.00 H new ATOM 0 HA LEU A 44 6.546 14.464 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.888 12.369 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.646 12.298 1.383 1.00 0.00 H new ATOM 0 HG LEU A 44 8.049 14.526 3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.314 13.473 3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.976 12.395 4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.847 12.125 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.060 15.151 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.626 13.929 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.552 15.318 1.146 1.00 0.00 H new ATOM 197 N LEU A 45 4.421 11.905 1.349 1.00 0.00 N ATOM 198 CA LEU A 45 3.398 11.060 0.673 1.00 0.00 C ATOM 199 C LEU A 45 2.019 11.782 0.689 1.00 0.00 C ATOM 200 O LEU A 45 1.417 11.930 1.756 1.00 0.00 O ATOM 201 CB LEU A 45 3.365 9.681 1.392 1.00 0.00 C ATOM 202 CG LEU A 45 2.332 8.639 0.875 1.00 0.00 C ATOM 203 CD1 LEU A 45 2.573 8.194 -0.578 1.00 0.00 C ATOM 204 CD2 LEU A 45 2.297 7.418 1.803 1.00 0.00 C ATOM 0 H LEU A 45 4.581 11.652 2.324 1.00 0.00 H new ATOM 0 HA LEU A 45 3.647 10.896 -0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.358 9.238 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.170 9.855 2.450 1.00 0.00 H new ATOM 0 HG LEU A 45 1.365 9.142 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.813 7.468 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.517 9.060 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.560 7.739 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.570 6.697 1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.284 6.956 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.013 7.732 2.807 1.00 0.00 H new ATOM 216 N ARG A 46 1.541 12.213 -0.493 1.00 0.00 N ATOM 217 CA ARG A 46 0.306 13.047 -0.630 1.00 0.00 C ATOM 218 C ARG A 46 -0.834 12.311 -1.414 1.00 0.00 C ATOM 219 O ARG A 46 -0.572 11.586 -2.379 1.00 0.00 O ATOM 220 CB ARG A 46 0.688 14.399 -1.306 1.00 0.00 C ATOM 221 CG ARG A 46 1.574 15.337 -0.451 1.00 0.00 C ATOM 222 CD ARG A 46 1.677 16.785 -0.995 1.00 0.00 C ATOM 223 NE ARG A 46 2.316 17.706 -0.006 1.00 0.00 N ATOM 224 CZ ARG A 46 1.750 18.108 1.139 1.00 0.00 C ATOM 225 NH1 ARG A 46 0.502 17.889 1.446 1.00 0.00 N ATOM 226 NH2 ARG A 46 2.471 18.715 2.028 1.00 0.00 N ATOM 0 H ARG A 46 1.989 12.000 -1.384 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.099 13.236 0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.208 14.186 -2.240 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.229 14.929 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.176 15.369 0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.576 14.913 -0.387 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.256 16.786 -1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.681 17.152 -1.242 1.00 0.00 H new ATOM 0 HE ARG A 46 3.251 18.053 -0.219 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.102 17.385 0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.130 18.221 2.336 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.462 18.883 1.853 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.048 19.025 2.903 1.00 0.00 H new ATOM 240 N LYS A 47 -2.112 12.526 -1.027 1.00 0.00 N ATOM 241 CA LYS A 47 -3.290 11.948 -1.742 1.00 0.00 C ATOM 242 C LYS A 47 -4.385 13.028 -2.043 1.00 0.00 C ATOM 243 O LYS A 47 -4.807 13.782 -1.164 1.00 0.00 O ATOM 244 CB LYS A 47 -3.890 10.774 -0.911 1.00 0.00 C ATOM 245 CG LYS A 47 -4.951 9.929 -1.672 1.00 0.00 C ATOM 246 CD LYS A 47 -5.874 9.040 -0.813 1.00 0.00 C ATOM 247 CE LYS A 47 -5.225 7.763 -0.248 1.00 0.00 C ATOM 248 NZ LYS A 47 -4.744 7.997 1.140 1.00 0.00 N ATOM 0 H LYS A 47 -2.362 13.098 -0.220 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.943 11.569 -2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.080 10.118 -0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.345 11.179 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.576 10.609 -2.251 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.430 9.290 -2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.250 9.634 0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.736 8.753 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.947 6.946 -0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.392 7.459 -0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.795 7.586 1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.703 9.020 1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.397 7.549 1.814 1.00 0.00 H new ATOM 262 N LYS A 48 -4.929 13.000 -3.269 1.00 0.00 N ATOM 263 CA LYS A 48 -6.256 13.591 -3.596 1.00 0.00 C ATOM 264 C LYS A 48 -7.163 12.411 -4.045 1.00 0.00 C ATOM 265 O LYS A 48 -6.842 11.732 -5.025 1.00 0.00 O ATOM 266 CB LYS A 48 -6.024 14.666 -4.693 1.00 0.00 C ATOM 267 CG LYS A 48 -7.239 15.401 -5.316 1.00 0.00 C ATOM 268 CD LYS A 48 -7.978 14.596 -6.417 1.00 0.00 C ATOM 269 CE LYS A 48 -8.930 15.416 -7.311 1.00 0.00 C ATOM 270 NZ LYS A 48 -8.175 16.135 -8.375 1.00 0.00 N ATOM 0 H LYS A 48 -4.468 12.568 -4.070 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.748 14.090 -2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.365 15.425 -4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.479 14.188 -5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.947 15.644 -4.524 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.899 16.346 -5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.234 14.115 -7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.551 13.801 -5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.667 14.755 -7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.479 16.134 -6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.838 16.679 -8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.489 16.782 -7.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.671 15.446 -8.969 1.00 0.00 H new ATOM 284 N THR A 49 -8.298 12.182 -3.355 1.00 0.00 N ATOM 285 CA THR A 49 -9.233 11.074 -3.707 1.00 0.00 C ATOM 286 C THR A 49 -10.042 11.478 -4.981 1.00 0.00 C ATOM 287 O THR A 49 -10.879 12.385 -4.944 1.00 0.00 O ATOM 288 CB THR A 49 -10.134 10.679 -2.500 1.00 0.00 C ATOM 289 OG1 THR A 49 -9.332 10.405 -1.352 1.00 0.00 O ATOM 290 CG2 THR A 49 -10.985 9.421 -2.757 1.00 0.00 C ATOM 0 H THR A 49 -8.595 12.740 -2.555 1.00 0.00 H new ATOM 0 HA THR A 49 -8.667 10.173 -3.943 1.00 0.00 H new ATOM 0 HB THR A 49 -10.797 11.530 -2.345 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.910 10.160 -0.600 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.588 9.203 -1.875 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.640 9.593 -3.611 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.330 8.575 -2.966 1.00 0.00 H new ATOM 298 N LEU A 50 -9.730 10.810 -6.108 1.00 0.00 N ATOM 299 CA LEU A 50 -10.208 11.205 -7.464 1.00 0.00 C ATOM 300 C LEU A 50 -11.735 10.961 -7.655 1.00 0.00 C ATOM 301 O LEU A 50 -12.463 11.934 -7.868 1.00 0.00 O ATOM 302 CB LEU A 50 -9.277 10.535 -8.521 1.00 0.00 C ATOM 303 CG LEU A 50 -9.299 11.108 -9.969 1.00 0.00 C ATOM 304 CD1 LEU A 50 -8.005 10.736 -10.726 1.00 0.00 C ATOM 305 CD2 LEU A 50 -10.511 10.646 -10.803 1.00 0.00 C ATOM 0 H LEU A 50 -9.139 9.979 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.129 12.283 -7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.253 10.594 -8.152 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.536 9.478 -8.574 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.377 12.188 -9.849 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.043 11.147 -11.735 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.144 11.147 -10.199 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.914 9.651 -10.779 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.456 11.086 -11.799 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.503 9.559 -10.886 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.432 10.966 -10.315 1.00 0.00 H new ATOM 317 N VAL A 51 -12.210 9.701 -7.551 1.00 0.00 N ATOM 318 CA VAL A 51 -13.665 9.382 -7.493 1.00 0.00 C ATOM 319 C VAL A 51 -13.959 9.078 -5.978 1.00 0.00 C ATOM 320 O VAL A 51 -13.524 8.018 -5.512 1.00 0.00 O ATOM 321 CB VAL A 51 -14.079 8.213 -8.455 1.00 0.00 C ATOM 322 CG1 VAL A 51 -15.607 7.968 -8.448 1.00 0.00 C ATOM 323 CG2 VAL A 51 -13.655 8.427 -9.929 1.00 0.00 C ATOM 0 H VAL A 51 -11.608 8.879 -7.505 1.00 0.00 H new ATOM 0 HA VAL A 51 -14.270 10.215 -7.851 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.544 7.351 -8.057 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -15.848 7.151 -9.128 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -15.929 7.708 -7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.122 8.873 -8.772 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.978 7.575 -10.528 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -14.118 9.337 -10.312 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.570 8.520 -9.986 1.00 0.00 H new ATOM 333 N PRO A 52 -14.665 9.935 -5.178 1.00 0.00 N ATOM 334 CA PRO A 52 -14.884 9.692 -3.726 1.00 0.00 C ATOM 335 C PRO A 52 -16.040 8.693 -3.418 1.00 0.00 C ATOM 336 O PRO A 52 -17.035 8.624 -4.148 1.00 0.00 O ATOM 337 CB PRO A 52 -15.166 11.114 -3.203 1.00 0.00 C ATOM 338 CG PRO A 52 -15.810 11.858 -4.373 1.00 0.00 C ATOM 339 CD PRO A 52 -15.130 11.269 -5.610 1.00 0.00 C ATOM 0 HA PRO A 52 -14.034 9.206 -3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -15.831 11.090 -2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -14.246 11.605 -2.884 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -16.889 11.702 -4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -15.645 12.933 -4.301 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.824 11.195 -6.447 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.298 11.892 -5.940 1.00 0.00 H new ATOM 347 N GLY A 53 -15.894 7.943 -2.311 1.00 0.00 N ATOM 348 CA GLY A 53 -16.877 6.913 -1.901 1.00 0.00 C ATOM 349 C GLY A 53 -18.227 7.472 -1.369 1.00 0.00 C ATOM 350 O GLY A 53 -18.182 8.173 -0.352 1.00 0.00 O ATOM 0 H GLY A 53 -15.100 8.029 -1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -17.080 6.265 -2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.428 6.291 -1.127 1.00 0.00 H new ATOM 354 N PRO A 54 -19.421 7.201 -1.978 1.00 0.00 N ATOM 355 CA PRO A 54 -20.720 7.769 -1.510 1.00 0.00 C ATOM 356 C PRO A 54 -21.264 7.185 -0.154 1.00 0.00 C ATOM 357 O PRO A 54 -20.733 6.166 0.302 1.00 0.00 O ATOM 358 CB PRO A 54 -21.641 7.466 -2.715 1.00 0.00 C ATOM 359 CG PRO A 54 -21.060 6.225 -3.389 1.00 0.00 C ATOM 360 CD PRO A 54 -19.552 6.386 -3.206 1.00 0.00 C ATOM 0 HA PRO A 54 -20.641 8.825 -1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -22.665 7.288 -2.388 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.669 8.308 -3.406 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -21.424 5.309 -2.924 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -21.333 6.177 -4.443 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -19.059 5.420 -3.098 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -19.097 6.882 -4.064 1.00 0.00 H new ATOM 368 N PRO A 55 -22.310 7.765 0.517 1.00 0.00 N ATOM 369 CA PRO A 55 -22.840 7.244 1.808 1.00 0.00 C ATOM 370 C PRO A 55 -23.496 5.837 1.674 1.00 0.00 C ATOM 371 O PRO A 55 -24.459 5.645 0.923 1.00 0.00 O ATOM 372 CB PRO A 55 -23.819 8.347 2.257 1.00 0.00 C ATOM 373 CG PRO A 55 -24.212 9.093 0.982 1.00 0.00 C ATOM 374 CD PRO A 55 -22.964 9.023 0.104 1.00 0.00 C ATOM 0 HA PRO A 55 -22.059 7.063 2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -24.694 7.919 2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -23.349 9.019 2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -25.068 8.625 0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -24.491 10.125 1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -23.221 9.011 -0.955 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -22.314 9.883 0.265 1.00 0.00 H new ATOM 382 N GLY A 56 -22.890 4.860 2.365 1.00 0.00 N ATOM 383 CA GLY A 56 -23.117 3.422 2.096 1.00 0.00 C ATOM 384 C GLY A 56 -22.109 2.850 1.075 1.00 0.00 C ATOM 385 O GLY A 56 -22.491 2.527 -0.053 1.00 0.00 O ATOM 0 H GLY A 56 -22.231 5.037 3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -23.042 2.864 3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -24.131 3.280 1.721 1.00 0.00 H new ATOM 389 N SER A 57 -20.834 2.733 1.490 1.00 0.00 N ATOM 390 CA SER A 57 -19.742 2.170 0.655 1.00 0.00 C ATOM 391 C SER A 57 -18.716 1.534 1.627 1.00 0.00 C ATOM 392 O SER A 57 -18.114 2.227 2.459 1.00 0.00 O ATOM 393 CB SER A 57 -19.064 3.244 -0.227 1.00 0.00 C ATOM 394 OG SER A 57 -19.951 3.705 -1.238 1.00 0.00 O ATOM 0 H SER A 57 -20.525 3.026 2.417 1.00 0.00 H new ATOM 0 HA SER A 57 -20.149 1.431 -0.035 1.00 0.00 H new ATOM 0 HB2 SER A 57 -18.746 4.082 0.393 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.167 2.829 -0.686 1.00 0.00 H new ATOM 0 HG SER A 57 -20.361 4.549 -0.954 1.00 0.00 H new ATOM 400 N SER A 58 -18.524 0.206 1.516 1.00 0.00 N ATOM 401 CA SER A 58 -17.683 -0.573 2.463 1.00 0.00 C ATOM 402 C SER A 58 -16.164 -0.277 2.323 1.00 0.00 C ATOM 403 O SER A 58 -15.632 -0.125 1.220 1.00 0.00 O ATOM 404 CB SER A 58 -17.973 -2.076 2.255 1.00 0.00 C ATOM 405 OG SER A 58 -17.311 -2.876 3.230 1.00 0.00 O ATOM 0 H SER A 58 -18.941 -0.359 0.776 1.00 0.00 H new ATOM 0 HA SER A 58 -17.947 -0.269 3.476 1.00 0.00 H new ATOM 0 HB2 SER A 58 -19.048 -2.251 2.308 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.650 -2.375 1.258 1.00 0.00 H new ATOM 0 HG SER A 58 -17.516 -3.821 3.072 1.00 0.00 H new ATOM 411 N ARG A 59 -15.495 -0.211 3.484 1.00 0.00 N ATOM 412 CA ARG A 59 -14.037 0.038 3.583 1.00 0.00 C ATOM 413 C ARG A 59 -13.340 -1.203 4.247 1.00 0.00 C ATOM 414 O ARG A 59 -13.709 -1.532 5.383 1.00 0.00 O ATOM 415 CB ARG A 59 -13.837 1.353 4.382 1.00 0.00 C ATOM 416 CG ARG A 59 -12.457 1.996 4.126 1.00 0.00 C ATOM 417 CD ARG A 59 -12.282 3.420 4.684 1.00 0.00 C ATOM 418 NE ARG A 59 -13.029 4.415 3.863 1.00 0.00 N ATOM 419 CZ ARG A 59 -12.927 5.739 3.965 1.00 0.00 C ATOM 420 NH1 ARG A 59 -12.208 6.339 4.879 1.00 0.00 N ATOM 421 NH2 ARG A 59 -13.577 6.478 3.117 1.00 0.00 N ATOM 0 H ARG A 59 -15.948 -0.329 4.390 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.575 0.162 2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.620 2.061 4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.947 1.148 5.447 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -11.690 1.356 4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -12.279 2.020 3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -12.635 3.456 5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.223 3.680 4.701 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.674 4.050 3.162 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.688 5.788 5.562 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.167 7.358 4.908 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.149 6.042 2.394 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.515 7.495 3.174 1.00 0.00 H new ATOM 435 N PRO A 60 -12.354 -1.916 3.624 1.00 0.00 N ATOM 436 CA PRO A 60 -11.837 -3.204 4.158 1.00 0.00 C ATOM 437 C PRO A 60 -10.938 -3.069 5.423 1.00 0.00 C ATOM 438 O PRO A 60 -10.188 -2.100 5.583 1.00 0.00 O ATOM 439 CB PRO A 60 -11.101 -3.794 2.939 1.00 0.00 C ATOM 440 CG PRO A 60 -10.688 -2.602 2.082 1.00 0.00 C ATOM 441 CD PRO A 60 -11.811 -1.585 2.290 1.00 0.00 C ATOM 0 HA PRO A 60 -12.632 -3.845 4.538 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.230 -4.371 3.250 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.749 -4.470 2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.724 -2.201 2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.592 -2.880 1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.435 -0.563 2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.574 -1.670 1.517 1.00 0.00 H new ATOM 449 N VAL A 61 -11.040 -4.076 6.308 1.00 0.00 N ATOM 450 CA VAL A 61 -10.271 -4.136 7.589 1.00 0.00 C ATOM 451 C VAL A 61 -8.835 -4.710 7.372 1.00 0.00 C ATOM 452 O VAL A 61 -8.590 -5.481 6.436 1.00 0.00 O ATOM 453 CB VAL A 61 -11.060 -4.911 8.703 1.00 0.00 C ATOM 454 CG1 VAL A 61 -12.346 -4.179 9.150 1.00 0.00 C ATOM 455 CG2 VAL A 61 -11.377 -6.395 8.386 1.00 0.00 C ATOM 0 H VAL A 61 -11.655 -4.877 6.166 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.150 -3.113 7.945 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.352 -4.924 9.532 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -12.848 -4.763 9.921 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -12.086 -3.198 9.549 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.012 -4.058 8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.923 -6.836 9.220 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.985 -6.452 7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.446 -6.941 8.232 1.00 0.00 H new ATOM 465 N LYS A 62 -7.895 -4.344 8.268 1.00 0.00 N ATOM 466 CA LYS A 62 -6.471 -4.772 8.199 1.00 0.00 C ATOM 467 C LYS A 62 -6.305 -6.326 8.346 1.00 0.00 C ATOM 468 O LYS A 62 -6.545 -6.902 9.414 1.00 0.00 O ATOM 469 CB LYS A 62 -5.719 -3.956 9.290 1.00 0.00 C ATOM 470 CG LYS A 62 -4.182 -3.884 9.145 1.00 0.00 C ATOM 471 CD LYS A 62 -3.693 -2.867 8.085 1.00 0.00 C ATOM 472 CE LYS A 62 -2.167 -2.651 8.127 1.00 0.00 C ATOM 473 NZ LYS A 62 -1.779 -1.613 7.133 1.00 0.00 N ATOM 0 H LYS A 62 -8.097 -3.741 9.065 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.042 -4.564 7.219 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.112 -2.939 9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.952 -4.388 10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.749 -3.623 10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.806 -4.873 8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.979 -3.217 7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.195 -1.913 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.861 -2.343 9.127 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.652 -3.587 7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.200 -2.047 6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.635 -1.199 6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.231 -0.866 7.607 1.00 0.00 H new ATOM 487 N GLY A 63 -5.966 -6.971 7.220 1.00 0.00 N ATOM 488 CA GLY A 63 -6.191 -8.419 7.010 1.00 0.00 C ATOM 489 C GLY A 63 -7.447 -8.702 6.151 1.00 0.00 C ATOM 490 O GLY A 63 -8.434 -9.231 6.669 1.00 0.00 O ATOM 0 H GLY A 63 -5.527 -6.507 6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.317 -8.853 6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.297 -8.912 7.977 1.00 0.00 H new ATOM 494 N GLN A 64 -7.396 -8.358 4.847 1.00 0.00 N ATOM 495 CA GLN A 64 -8.499 -8.610 3.882 1.00 0.00 C ATOM 496 C GLN A 64 -7.859 -8.714 2.471 1.00 0.00 C ATOM 497 O GLN A 64 -7.149 -7.803 2.029 1.00 0.00 O ATOM 498 CB GLN A 64 -9.563 -7.475 3.937 1.00 0.00 C ATOM 499 CG GLN A 64 -10.835 -7.673 3.080 1.00 0.00 C ATOM 500 CD GLN A 64 -11.844 -8.671 3.673 1.00 0.00 C ATOM 501 OE1 GLN A 64 -11.626 -9.880 3.674 1.00 0.00 O ATOM 502 NE2 GLN A 64 -12.961 -8.187 4.192 1.00 0.00 N ATOM 0 H GLN A 64 -6.589 -7.896 4.428 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.021 -9.534 4.131 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.869 -7.346 4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.085 -6.546 3.627 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.327 -6.709 2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.542 -8.016 2.088 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.132 -7.181 4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.651 -8.819 4.598 1.00 0.00 H new ATOM 511 N VAL A 65 -8.152 -9.808 1.744 1.00 0.00 N ATOM 512 CA VAL A 65 -7.558 -10.073 0.399 1.00 0.00 C ATOM 513 C VAL A 65 -8.290 -9.183 -0.658 1.00 0.00 C ATOM 514 O VAL A 65 -9.397 -9.500 -1.104 1.00 0.00 O ATOM 515 CB VAL A 65 -7.547 -11.611 0.085 1.00 0.00 C ATOM 516 CG1 VAL A 65 -7.008 -11.941 -1.326 1.00 0.00 C ATOM 517 CG2 VAL A 65 -6.710 -12.427 1.103 1.00 0.00 C ATOM 0 H VAL A 65 -8.798 -10.532 2.058 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.507 -9.787 0.369 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.597 -11.897 0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.027 -13.020 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.633 -11.457 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.984 -11.579 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.739 -13.483 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.678 -12.078 1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.124 -12.295 2.103 1.00 0.00 H new ATOM 527 N VAL A 66 -7.642 -8.062 -1.025 1.00 0.00 N ATOM 528 CA VAL A 66 -8.199 -7.049 -1.964 1.00 0.00 C ATOM 529 C VAL A 66 -7.454 -7.141 -3.326 1.00 0.00 C ATOM 530 O VAL A 66 -6.223 -7.249 -3.370 1.00 0.00 O ATOM 531 CB VAL A 66 -8.148 -5.585 -1.399 1.00 0.00 C ATOM 532 CG1 VAL A 66 -9.084 -5.368 -0.193 1.00 0.00 C ATOM 533 CG2 VAL A 66 -6.741 -5.032 -1.068 1.00 0.00 C ATOM 0 H VAL A 66 -6.712 -7.825 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.256 -7.279 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.508 -5.005 -2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.002 -4.337 0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.113 -5.571 -0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.800 -6.043 0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.830 -4.015 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.270 -5.663 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.130 -5.028 -1.971 1.00 0.00 H new ATOM 543 N THR A 67 -8.206 -6.999 -4.430 1.00 0.00 N ATOM 544 CA THR A 67 -7.619 -6.734 -5.772 1.00 0.00 C ATOM 545 C THR A 67 -7.503 -5.188 -5.943 1.00 0.00 C ATOM 546 O THR A 67 -8.483 -4.459 -5.758 1.00 0.00 O ATOM 547 CB THR A 67 -8.460 -7.414 -6.892 1.00 0.00 C ATOM 548 OG1 THR A 67 -8.570 -8.813 -6.640 1.00 0.00 O ATOM 549 CG2 THR A 67 -7.860 -7.255 -8.300 1.00 0.00 C ATOM 0 H THR A 67 -9.224 -7.062 -4.429 1.00 0.00 H new ATOM 0 HA THR A 67 -6.623 -7.170 -5.856 1.00 0.00 H new ATOM 0 HB THR A 67 -9.428 -6.913 -6.871 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.438 -9.004 -6.227 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.501 -7.754 -9.027 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.788 -6.196 -8.547 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.866 -7.702 -8.325 1.00 0.00 H new ATOM 557 N VAL A 68 -6.294 -4.716 -6.293 1.00 0.00 N ATOM 558 CA VAL A 68 -6.003 -3.269 -6.512 1.00 0.00 C ATOM 559 C VAL A 68 -5.383 -3.079 -7.926 1.00 0.00 C ATOM 560 O VAL A 68 -4.410 -3.736 -8.311 1.00 0.00 O ATOM 561 CB VAL A 68 -5.116 -2.611 -5.399 1.00 0.00 C ATOM 562 CG1 VAL A 68 -5.887 -2.402 -4.080 1.00 0.00 C ATOM 563 CG2 VAL A 68 -3.763 -3.304 -5.112 1.00 0.00 C ATOM 0 H VAL A 68 -5.484 -5.319 -6.435 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.954 -2.740 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.864 -1.645 -5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.228 -1.944 -3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.742 -1.750 -4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.236 -3.365 -3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.236 -2.763 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.941 -4.330 -4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.157 -3.308 -6.018 1.00 0.00 H new ATOM 573 N HIS A 69 -5.955 -2.119 -8.665 1.00 0.00 N ATOM 574 CA HIS A 69 -5.488 -1.709 -10.007 1.00 0.00 C ATOM 575 C HIS A 69 -4.607 -0.441 -9.861 1.00 0.00 C ATOM 576 O HIS A 69 -5.122 0.679 -9.838 1.00 0.00 O ATOM 577 CB HIS A 69 -6.765 -1.505 -10.871 1.00 0.00 C ATOM 578 CG HIS A 69 -6.624 -1.099 -12.343 1.00 0.00 C ATOM 579 ND1 HIS A 69 -7.720 -0.766 -13.113 1.00 0.00 N ATOM 580 CD2 HIS A 69 -5.456 -0.999 -13.125 1.00 0.00 C ATOM 581 CE1 HIS A 69 -7.106 -0.493 -14.304 1.00 0.00 C ATOM 582 NE2 HIS A 69 -5.744 -0.605 -14.423 1.00 0.00 N ATOM 0 H HIS A 69 -6.769 -1.593 -8.347 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.860 -2.451 -10.500 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.331 -2.436 -10.842 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.374 -0.746 -10.380 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.461 -1.204 -12.759 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.696 -0.188 -15.155 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.130 -0.447 -15.222 1.00 0.00 H new ATOM 590 N LEU A 70 -3.281 -0.648 -9.787 1.00 0.00 N ATOM 591 CA LEU A 70 -2.279 0.449 -9.757 1.00 0.00 C ATOM 592 C LEU A 70 -1.464 0.436 -11.079 1.00 0.00 C ATOM 593 O LEU A 70 -0.988 -0.612 -11.527 1.00 0.00 O ATOM 594 CB LEU A 70 -1.421 0.445 -8.456 1.00 0.00 C ATOM 595 CG LEU A 70 -0.310 -0.625 -8.240 1.00 0.00 C ATOM 596 CD1 LEU A 70 0.594 -0.252 -7.048 1.00 0.00 C ATOM 597 CD2 LEU A 70 -0.869 -2.046 -8.034 1.00 0.00 C ATOM 0 H LEU A 70 -2.866 -1.579 -9.746 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.793 1.409 -9.710 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.944 1.422 -8.383 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.112 0.364 -7.617 1.00 0.00 H new ATOM 0 HG LEU A 70 0.276 -0.633 -9.159 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.361 -1.016 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.069 0.710 -7.239 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.008 -0.186 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.044 -2.744 -7.889 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.514 -2.059 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.444 -2.341 -8.911 1.00 0.00 H new ATOM 609 N GLN A 71 -1.334 1.618 -11.700 1.00 0.00 N ATOM 610 CA GLN A 71 -0.562 1.811 -12.957 1.00 0.00 C ATOM 611 C GLN A 71 0.195 3.147 -12.771 1.00 0.00 C ATOM 612 O GLN A 71 -0.416 4.214 -12.625 1.00 0.00 O ATOM 613 CB GLN A 71 -1.485 1.888 -14.208 1.00 0.00 C ATOM 614 CG GLN A 71 -2.255 0.602 -14.588 1.00 0.00 C ATOM 615 CD GLN A 71 -1.441 -0.471 -15.326 1.00 0.00 C ATOM 616 OE1 GLN A 71 -1.476 -0.559 -16.553 1.00 0.00 O ATOM 617 NE2 GLN A 71 -0.720 -1.322 -14.618 1.00 0.00 N ATOM 0 H GLN A 71 -1.760 2.476 -11.350 1.00 0.00 H new ATOM 0 HA GLN A 71 0.107 0.968 -13.131 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.212 2.683 -14.045 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.875 2.184 -15.062 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.660 0.161 -13.677 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.104 0.881 -15.212 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.694 -1.246 -13.601 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.190 -2.055 -15.088 1.00 0.00 H new ATOM 626 N THR A 72 1.535 3.077 -12.749 1.00 0.00 N ATOM 627 CA THR A 72 2.386 4.217 -12.326 1.00 0.00 C ATOM 628 C THR A 72 2.702 5.133 -13.540 1.00 0.00 C ATOM 629 O THR A 72 3.342 4.702 -14.501 1.00 0.00 O ATOM 630 CB THR A 72 3.639 3.665 -11.588 1.00 0.00 C ATOM 631 OG1 THR A 72 3.228 2.932 -10.437 1.00 0.00 O ATOM 632 CG2 THR A 72 4.619 4.732 -11.085 1.00 0.00 C ATOM 0 H THR A 72 2.060 2.245 -13.018 1.00 0.00 H new ATOM 0 HA THR A 72 1.863 4.857 -11.615 1.00 0.00 H new ATOM 0 HB THR A 72 4.153 3.059 -12.335 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.979 2.857 -9.811 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.458 4.248 -10.585 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.987 5.315 -11.929 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.110 5.392 -10.383 1.00 0.00 H new ATOM 640 N SER A 73 2.270 6.404 -13.445 1.00 0.00 N ATOM 641 CA SER A 73 2.655 7.477 -14.393 1.00 0.00 C ATOM 642 C SER A 73 3.955 8.181 -13.922 1.00 0.00 C ATOM 643 O SER A 73 4.076 8.581 -12.759 1.00 0.00 O ATOM 644 CB SER A 73 1.457 8.433 -14.579 1.00 0.00 C ATOM 645 OG SER A 73 1.721 9.384 -15.603 1.00 0.00 O ATOM 0 H SER A 73 1.641 6.721 -12.707 1.00 0.00 H new ATOM 0 HA SER A 73 2.891 7.061 -15.373 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.565 7.860 -14.831 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.250 8.950 -13.642 1.00 0.00 H new ATOM 0 HG SER A 73 0.948 9.978 -15.705 1.00 0.00 H new ATOM 651 N LEU A 74 4.936 8.296 -14.839 1.00 0.00 N ATOM 652 CA LEU A 74 6.294 8.806 -14.511 1.00 0.00 C ATOM 653 C LEU A 74 6.445 10.266 -15.016 1.00 0.00 C ATOM 654 O LEU A 74 6.021 10.612 -16.124 1.00 0.00 O ATOM 655 CB LEU A 74 7.358 7.839 -15.115 1.00 0.00 C ATOM 656 CG LEU A 74 8.854 8.112 -14.775 1.00 0.00 C ATOM 657 CD1 LEU A 74 9.174 8.055 -13.267 1.00 0.00 C ATOM 658 CD2 LEU A 74 9.783 7.140 -15.528 1.00 0.00 C ATOM 0 H LEU A 74 4.818 8.042 -15.820 1.00 0.00 H new ATOM 0 HA LEU A 74 6.448 8.832 -13.432 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.118 6.828 -14.787 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.251 7.856 -16.200 1.00 0.00 H new ATOM 0 HG LEU A 74 9.036 9.135 -15.104 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.234 8.255 -13.112 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.582 8.804 -12.741 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.932 7.065 -12.881 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.820 7.355 -15.271 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.544 6.115 -15.245 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.643 7.262 -16.602 1.00 0.00 H new ATOM 670 N GLU A 75 7.123 11.096 -14.199 1.00 0.00 N ATOM 671 CA GLU A 75 7.536 12.483 -14.577 1.00 0.00 C ATOM 672 C GLU A 75 8.337 12.616 -15.918 1.00 0.00 C ATOM 673 O GLU A 75 8.003 13.478 -16.739 1.00 0.00 O ATOM 674 CB GLU A 75 8.325 13.120 -13.395 1.00 0.00 C ATOM 675 CG GLU A 75 7.526 13.369 -12.088 1.00 0.00 C ATOM 676 CD GLU A 75 8.339 14.023 -10.980 1.00 0.00 C ATOM 677 OE1 GLU A 75 9.153 13.322 -10.341 1.00 0.00 O ATOM 678 OE2 GLU A 75 8.153 15.232 -10.736 1.00 0.00 O ATOM 0 H GLU A 75 7.405 10.833 -13.255 1.00 0.00 H new ATOM 0 HA GLU A 75 6.610 13.024 -14.772 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.171 12.473 -13.161 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.735 14.072 -13.732 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.666 14.000 -12.314 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.137 12.418 -11.726 1.00 0.00 H new ATOM 685 N ASN A 76 9.347 11.747 -16.143 1.00 0.00 N ATOM 686 CA ASN A 76 10.045 11.629 -17.450 1.00 0.00 C ATOM 687 C ASN A 76 9.360 10.512 -18.293 1.00 0.00 C ATOM 688 O ASN A 76 9.728 9.333 -18.218 1.00 0.00 O ATOM 689 CB ASN A 76 11.560 11.350 -17.231 1.00 0.00 C ATOM 690 CG ASN A 76 12.366 12.506 -16.600 1.00 0.00 C ATOM 691 OD1 ASN A 76 12.649 13.516 -17.244 1.00 0.00 O ATOM 692 ND2 ASN A 76 12.747 12.381 -15.337 1.00 0.00 N ATOM 0 H ASN A 76 9.702 11.109 -15.431 1.00 0.00 H new ATOM 0 HA ASN A 76 9.971 12.567 -18.000 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.661 10.471 -16.595 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.008 11.101 -18.193 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.280 13.126 -14.889 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.507 11.540 -14.813 1.00 0.00 H new ATOM 699 N GLY A 77 8.361 10.906 -19.103 1.00 0.00 N ATOM 700 CA GLY A 77 7.770 10.027 -20.138 1.00 0.00 C ATOM 701 C GLY A 77 6.679 9.032 -19.687 1.00 0.00 C ATOM 702 O GLY A 77 6.902 7.821 -19.770 1.00 0.00 O ATOM 0 H GLY A 77 7.941 11.834 -19.063 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.346 10.661 -20.917 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.578 9.456 -20.596 1.00 0.00 H new ATOM 706 N THR A 78 5.490 9.549 -19.310 1.00 0.00 N ATOM 707 CA THR A 78 4.199 8.786 -19.285 1.00 0.00 C ATOM 708 C THR A 78 4.165 7.435 -18.489 1.00 0.00 C ATOM 709 O THR A 78 5.073 7.165 -17.695 1.00 0.00 O ATOM 710 CB THR A 78 3.543 8.832 -20.705 1.00 0.00 C ATOM 711 OG1 THR A 78 2.138 8.623 -20.610 1.00 0.00 O ATOM 712 CG2 THR A 78 4.107 7.850 -21.751 1.00 0.00 C ATOM 0 H THR A 78 5.386 10.518 -19.009 1.00 0.00 H new ATOM 0 HA THR A 78 3.520 9.309 -18.611 1.00 0.00 H new ATOM 0 HB THR A 78 3.791 9.830 -21.068 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.741 8.656 -21.505 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.573 7.976 -22.693 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.167 8.051 -21.905 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.980 6.827 -21.396 1.00 0.00 H new ATOM 720 N ARG A 79 3.100 6.615 -18.652 1.00 0.00 N ATOM 721 CA ARG A 79 2.873 5.423 -17.798 1.00 0.00 C ATOM 722 C ARG A 79 3.757 4.186 -18.132 1.00 0.00 C ATOM 723 O ARG A 79 3.531 3.430 -19.081 1.00 0.00 O ATOM 724 CB ARG A 79 1.374 5.139 -17.533 1.00 0.00 C ATOM 725 CG ARG A 79 0.473 4.707 -18.713 1.00 0.00 C ATOM 726 CD ARG A 79 -0.984 4.395 -18.297 1.00 0.00 C ATOM 727 NE ARG A 79 -1.744 5.624 -17.911 1.00 0.00 N ATOM 728 CZ ARG A 79 -2.041 6.015 -16.666 1.00 0.00 C ATOM 729 NH1 ARG A 79 -1.695 5.359 -15.588 1.00 0.00 N ATOM 730 NH2 ARG A 79 -2.713 7.117 -16.517 1.00 0.00 N ATOM 0 H ARG A 79 2.385 6.756 -19.366 1.00 0.00 H new ATOM 0 HA ARG A 79 3.264 5.699 -16.819 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.316 4.360 -16.772 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.940 6.040 -17.100 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.467 5.498 -19.463 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.904 3.824 -19.185 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.496 3.899 -19.122 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.978 3.697 -17.460 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.068 6.223 -18.671 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.165 4.491 -15.667 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.955 5.715 -14.668 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.998 7.655 -17.335 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.956 7.444 -15.582 1.00 0.00 H new ATOM 744 N VAL A 80 4.740 4.010 -17.239 1.00 0.00 N ATOM 745 CA VAL A 80 5.555 2.781 -17.081 1.00 0.00 C ATOM 746 C VAL A 80 4.780 1.492 -16.637 1.00 0.00 C ATOM 747 O VAL A 80 5.207 0.398 -17.015 1.00 0.00 O ATOM 748 CB VAL A 80 6.770 3.106 -16.144 1.00 0.00 C ATOM 749 CG1 VAL A 80 7.798 4.042 -16.827 1.00 0.00 C ATOM 750 CG2 VAL A 80 6.423 3.616 -14.722 1.00 0.00 C ATOM 0 H VAL A 80 5.005 4.741 -16.579 1.00 0.00 H new ATOM 0 HA VAL A 80 5.901 2.506 -18.077 1.00 0.00 H new ATOM 0 HB VAL A 80 7.221 2.127 -15.981 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.622 4.240 -16.141 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.183 3.564 -17.728 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.314 4.982 -17.093 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.343 3.806 -14.169 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.847 4.539 -14.797 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.834 2.862 -14.199 1.00 0.00 H new ATOM 760 N GLN A 81 3.661 1.614 -15.879 1.00 0.00 N ATOM 761 CA GLN A 81 2.670 0.525 -15.632 1.00 0.00 C ATOM 762 C GLN A 81 3.164 -0.452 -14.530 1.00 0.00 C ATOM 763 O GLN A 81 4.140 -1.182 -14.740 1.00 0.00 O ATOM 764 CB GLN A 81 2.160 -0.226 -16.901 1.00 0.00 C ATOM 765 CG GLN A 81 1.414 0.653 -17.934 1.00 0.00 C ATOM 766 CD GLN A 81 1.125 -0.064 -19.262 1.00 0.00 C ATOM 767 OE1 GLN A 81 1.927 -0.022 -20.195 1.00 0.00 O ATOM 768 NE2 GLN A 81 -0.015 -0.728 -19.384 1.00 0.00 N ATOM 0 H GLN A 81 3.414 2.486 -15.412 1.00 0.00 H new ATOM 0 HA GLN A 81 1.782 1.041 -15.267 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.013 -0.693 -17.394 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.495 -1.030 -16.585 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.472 0.988 -17.500 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.007 1.545 -18.135 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.674 -0.758 -18.606 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.234 -1.210 -20.256 1.00 0.00 H new ATOM 777 N GLU A 82 2.480 -0.466 -13.368 1.00 0.00 N ATOM 778 CA GLU A 82 2.839 -1.354 -12.220 1.00 0.00 C ATOM 779 C GLU A 82 1.716 -2.387 -11.872 1.00 0.00 C ATOM 780 O GLU A 82 1.115 -2.330 -10.797 1.00 0.00 O ATOM 781 CB GLU A 82 3.294 -0.473 -11.014 1.00 0.00 C ATOM 782 CG GLU A 82 4.732 0.108 -11.105 1.00 0.00 C ATOM 783 CD GLU A 82 5.866 -0.861 -10.808 1.00 0.00 C ATOM 784 OE1 GLU A 82 6.105 -1.807 -11.588 1.00 0.00 O ATOM 785 OE2 GLU A 82 6.528 -0.690 -9.767 1.00 0.00 O ATOM 0 H GLU A 82 1.670 0.128 -13.190 1.00 0.00 H new ATOM 0 HA GLU A 82 3.681 -1.984 -12.507 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.594 0.356 -10.909 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.220 -1.069 -10.105 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.877 0.509 -12.108 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.807 0.947 -10.413 1.00 0.00 H new ATOM 792 N GLU A 83 1.478 -3.380 -12.760 1.00 0.00 N ATOM 793 CA GLU A 83 0.638 -4.588 -12.470 1.00 0.00 C ATOM 794 C GLU A 83 -0.907 -4.274 -12.394 1.00 0.00 C ATOM 795 O GLU A 83 -1.369 -3.855 -11.326 1.00 0.00 O ATOM 796 CB GLU A 83 1.171 -5.429 -11.267 1.00 0.00 C ATOM 797 CG GLU A 83 2.587 -6.035 -11.474 1.00 0.00 C ATOM 798 CD GLU A 83 3.324 -6.431 -10.209 1.00 0.00 C ATOM 799 OE1 GLU A 83 3.660 -5.537 -9.405 1.00 0.00 O ATOM 800 OE2 GLU A 83 3.677 -7.615 -10.052 1.00 0.00 O ATOM 0 H GLU A 83 1.861 -3.375 -13.705 1.00 0.00 H new ATOM 0 HA GLU A 83 0.746 -5.236 -13.340 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.187 -4.797 -10.379 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.469 -6.239 -11.069 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.496 -6.915 -12.110 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.196 -5.312 -12.016 1.00 0.00 H new ATOM 807 N PRO A 84 -1.749 -4.459 -13.462 1.00 0.00 N ATOM 808 CA PRO A 84 -3.177 -4.026 -13.456 1.00 0.00 C ATOM 809 C PRO A 84 -4.191 -4.772 -12.534 1.00 0.00 C ATOM 810 O PRO A 84 -5.243 -4.196 -12.248 1.00 0.00 O ATOM 811 CB PRO A 84 -3.565 -4.075 -14.947 1.00 0.00 C ATOM 812 CG PRO A 84 -2.632 -5.114 -15.565 1.00 0.00 C ATOM 813 CD PRO A 84 -1.328 -4.990 -14.774 1.00 0.00 C ATOM 0 HA PRO A 84 -3.245 -3.044 -12.989 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.610 -4.358 -15.074 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.439 -3.101 -15.420 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.049 -6.118 -15.484 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.471 -4.920 -16.625 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.831 -5.955 -14.672 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -0.625 -4.319 -15.268 1.00 0.00 H new ATOM 821 N GLU A 85 -3.901 -6.001 -12.057 1.00 0.00 N ATOM 822 CA GLU A 85 -4.641 -6.618 -10.919 1.00 0.00 C ATOM 823 C GLU A 85 -3.623 -7.283 -9.944 1.00 0.00 C ATOM 824 O GLU A 85 -3.350 -8.488 -10.020 1.00 0.00 O ATOM 825 CB GLU A 85 -5.752 -7.586 -11.427 1.00 0.00 C ATOM 826 CG GLU A 85 -7.009 -6.859 -11.970 1.00 0.00 C ATOM 827 CD GLU A 85 -8.232 -7.700 -12.297 1.00 0.00 C ATOM 828 OE1 GLU A 85 -8.520 -8.697 -11.609 1.00 0.00 O ATOM 829 OE2 GLU A 85 -8.967 -7.288 -13.220 1.00 0.00 O ATOM 0 H GLU A 85 -3.161 -6.591 -12.438 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.171 -5.849 -10.357 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.340 -8.218 -12.214 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.048 -8.246 -10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.305 -6.110 -11.236 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.721 -6.323 -12.874 1.00 0.00 H new ATOM 836 N LEU A 86 -3.088 -6.474 -9.006 1.00 0.00 N ATOM 837 CA LEU A 86 -2.241 -6.967 -7.890 1.00 0.00 C ATOM 838 C LEU A 86 -3.178 -7.358 -6.719 1.00 0.00 C ATOM 839 O LEU A 86 -3.853 -6.504 -6.137 1.00 0.00 O ATOM 840 CB LEU A 86 -1.195 -5.880 -7.506 1.00 0.00 C ATOM 841 CG LEU A 86 -0.094 -6.306 -6.487 1.00 0.00 C ATOM 842 CD1 LEU A 86 1.164 -5.431 -6.621 1.00 0.00 C ATOM 843 CD2 LEU A 86 -0.548 -6.263 -5.012 1.00 0.00 C ATOM 0 H LEU A 86 -3.228 -5.464 -8.997 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.670 -7.851 -8.175 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.704 -5.541 -8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.728 -5.023 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 86 0.123 -7.343 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.911 -5.755 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.569 -5.528 -7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.904 -4.389 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.275 -6.573 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.848 -5.248 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.392 -6.938 -4.871 1.00 0.00 H new ATOM 855 N VAL A 87 -3.173 -8.653 -6.369 1.00 0.00 N ATOM 856 CA VAL A 87 -3.961 -9.197 -5.233 1.00 0.00 C ATOM 857 C VAL A 87 -3.028 -9.378 -3.994 1.00 0.00 C ATOM 858 O VAL A 87 -1.910 -9.896 -4.107 1.00 0.00 O ATOM 859 CB VAL A 87 -4.743 -10.470 -5.696 1.00 0.00 C ATOM 860 CG1 VAL A 87 -3.885 -11.737 -5.902 1.00 0.00 C ATOM 861 CG2 VAL A 87 -5.918 -10.774 -4.752 1.00 0.00 C ATOM 0 H VAL A 87 -2.625 -9.359 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.734 -8.503 -4.904 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.115 -10.209 -6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.523 -12.561 -6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.130 -11.545 -6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.395 -12.001 -4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.443 -11.664 -5.099 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.540 -10.946 -3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.605 -9.928 -4.743 1.00 0.00 H new ATOM 871 N PHE A 88 -3.499 -8.923 -2.821 1.00 0.00 N ATOM 872 CA PHE A 88 -2.688 -8.902 -1.571 1.00 0.00 C ATOM 873 C PHE A 88 -3.600 -8.838 -0.309 1.00 0.00 C ATOM 874 O PHE A 88 -4.639 -8.170 -0.302 1.00 0.00 O ATOM 875 CB PHE A 88 -1.602 -7.772 -1.585 1.00 0.00 C ATOM 876 CG PHE A 88 -2.026 -6.330 -1.213 1.00 0.00 C ATOM 877 CD1 PHE A 88 -2.900 -5.593 -2.022 1.00 0.00 C ATOM 878 CD2 PHE A 88 -1.575 -5.774 -0.011 1.00 0.00 C ATOM 879 CE1 PHE A 88 -3.332 -4.332 -1.616 1.00 0.00 C ATOM 880 CE2 PHE A 88 -2.019 -4.520 0.394 1.00 0.00 C ATOM 881 CZ PHE A 88 -2.901 -3.802 -0.403 1.00 0.00 C ATOM 0 H PHE A 88 -4.445 -8.560 -2.702 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.139 -9.842 -1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.806 -8.069 -0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.169 -7.742 -2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.240 -6.003 -2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.878 -6.322 0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.003 -3.764 -2.244 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.677 -4.104 1.330 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.252 -2.833 -0.082 1.00 0.00 H new ATOM 891 N THR A 89 -3.119 -9.439 0.795 1.00 0.00 N ATOM 892 CA THR A 89 -3.701 -9.244 2.157 1.00 0.00 C ATOM 893 C THR A 89 -3.388 -7.795 2.658 1.00 0.00 C ATOM 894 O THR A 89 -2.244 -7.341 2.585 1.00 0.00 O ATOM 895 CB THR A 89 -3.152 -10.348 3.112 1.00 0.00 C ATOM 896 OG1 THR A 89 -3.433 -11.645 2.588 1.00 0.00 O ATOM 897 CG2 THR A 89 -3.745 -10.314 4.531 1.00 0.00 C ATOM 0 H THR A 89 -2.320 -10.073 0.780 1.00 0.00 H new ATOM 0 HA THR A 89 -4.786 -9.345 2.133 1.00 0.00 H new ATOM 0 HB THR A 89 -2.083 -10.143 3.177 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.081 -12.327 3.197 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.308 -11.115 5.127 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.522 -9.353 4.995 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.825 -10.449 4.477 1.00 0.00 H new ATOM 905 N LEU A 90 -4.418 -7.079 3.141 1.00 0.00 N ATOM 906 CA LEU A 90 -4.401 -5.590 3.290 1.00 0.00 C ATOM 907 C LEU A 90 -3.203 -4.915 4.041 1.00 0.00 C ATOM 908 O LEU A 90 -2.744 -3.851 3.616 1.00 0.00 O ATOM 909 CB LEU A 90 -5.777 -5.144 3.869 1.00 0.00 C ATOM 910 CG LEU A 90 -6.235 -3.707 3.521 1.00 0.00 C ATOM 911 CD1 LEU A 90 -6.656 -3.557 2.053 1.00 0.00 C ATOM 912 CD2 LEU A 90 -7.390 -3.256 4.430 1.00 0.00 C ATOM 0 H LEU A 90 -5.294 -7.506 3.443 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.227 -5.217 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.538 -5.840 3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.738 -5.237 4.954 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.368 -3.068 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.967 -2.529 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.814 -3.804 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.486 -4.231 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.690 -2.243 4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.237 -3.931 4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.063 -3.274 5.470 1.00 0.00 H new ATOM 924 N GLY A 91 -2.679 -5.546 5.104 1.00 0.00 N ATOM 925 CA GLY A 91 -1.346 -5.226 5.656 1.00 0.00 C ATOM 926 C GLY A 91 -0.209 -5.949 4.907 1.00 0.00 C ATOM 927 O GLY A 91 0.170 -5.520 3.812 1.00 0.00 O ATOM 0 H GLY A 91 -3.163 -6.290 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.184 -4.149 5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.316 -5.503 6.710 1.00 0.00 H new ATOM 931 N ASP A 92 0.324 -7.027 5.515 1.00 0.00 N ATOM 932 CA ASP A 92 1.443 -7.846 4.954 1.00 0.00 C ATOM 933 C ASP A 92 2.827 -7.125 4.731 1.00 0.00 C ATOM 934 O ASP A 92 2.965 -5.901 4.847 1.00 0.00 O ATOM 935 CB ASP A 92 0.951 -8.813 3.828 1.00 0.00 C ATOM 936 CG ASP A 92 0.849 -8.299 2.389 1.00 0.00 C ATOM 937 OD1 ASP A 92 1.675 -7.458 1.970 1.00 0.00 O ATOM 938 OD2 ASP A 92 -0.040 -8.775 1.656 1.00 0.00 O ATOM 0 H ASP A 92 -0.006 -7.366 6.419 1.00 0.00 H new ATOM 0 HA ASP A 92 1.754 -8.496 5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.619 -9.674 3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.035 -9.177 4.116 1.00 0.00 H new ATOM 943 N CYS A 93 3.857 -7.941 4.438 1.00 0.00 N ATOM 944 CA CYS A 93 5.209 -7.451 4.039 1.00 0.00 C ATOM 945 C CYS A 93 5.565 -7.587 2.516 1.00 0.00 C ATOM 946 O CYS A 93 6.746 -7.476 2.169 1.00 0.00 O ATOM 947 CB CYS A 93 6.232 -8.190 4.932 1.00 0.00 C ATOM 948 SG CYS A 93 5.912 -7.870 6.701 1.00 0.00 S ATOM 0 H CYS A 93 3.785 -8.958 4.468 1.00 0.00 H new ATOM 0 HA CYS A 93 5.230 -6.372 4.190 1.00 0.00 H new ATOM 0 HB2 CYS A 93 6.182 -9.261 4.738 1.00 0.00 H new ATOM 0 HB3 CYS A 93 7.242 -7.867 4.678 1.00 0.00 H new ATOM 0 HG CYS A 93 6.786 -8.506 7.422 1.00 0.00 H new ATOM 954 N ASP A 94 4.587 -7.772 1.601 1.00 0.00 N ATOM 955 CA ASP A 94 4.839 -7.899 0.136 1.00 0.00 C ATOM 956 C ASP A 94 4.802 -6.531 -0.619 1.00 0.00 C ATOM 957 O ASP A 94 5.747 -6.231 -1.360 1.00 0.00 O ATOM 958 CB ASP A 94 3.862 -8.951 -0.460 1.00 0.00 C ATOM 959 CG ASP A 94 4.276 -10.402 -0.210 1.00 0.00 C ATOM 960 OD1 ASP A 94 5.236 -10.863 -0.867 1.00 0.00 O ATOM 961 OD2 ASP A 94 3.652 -11.089 0.625 1.00 0.00 O ATOM 0 H ASP A 94 3.600 -7.838 1.850 1.00 0.00 H new ATOM 0 HA ASP A 94 5.860 -8.252 -0.008 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.870 -8.790 -0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.781 -8.788 -1.535 1.00 0.00 H new ATOM 966 N VAL A 95 3.742 -5.709 -0.446 1.00 0.00 N ATOM 967 CA VAL A 95 3.604 -4.397 -1.150 1.00 0.00 C ATOM 968 C VAL A 95 4.501 -3.277 -0.524 1.00 0.00 C ATOM 969 O VAL A 95 5.031 -3.396 0.586 1.00 0.00 O ATOM 970 CB VAL A 95 2.101 -3.961 -1.297 1.00 0.00 C ATOM 971 CG1 VAL A 95 1.258 -4.949 -2.130 1.00 0.00 C ATOM 972 CG2 VAL A 95 1.389 -3.611 0.028 1.00 0.00 C ATOM 0 H VAL A 95 2.963 -5.925 0.176 1.00 0.00 H new ATOM 0 HA VAL A 95 3.983 -4.547 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 95 2.170 -3.026 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.231 -4.589 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.676 -5.028 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.270 -5.929 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.358 -3.323 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.398 -4.480 0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.907 -2.783 0.512 1.00 0.00 H new ATOM 982 N ILE A 96 4.625 -2.167 -1.271 1.00 0.00 N ATOM 983 CA ILE A 96 5.385 -0.955 -0.850 1.00 0.00 C ATOM 984 C ILE A 96 4.722 -0.193 0.346 1.00 0.00 C ATOM 985 O ILE A 96 3.523 -0.329 0.620 1.00 0.00 O ATOM 986 CB ILE A 96 5.661 -0.028 -2.091 1.00 0.00 C ATOM 987 CG1 ILE A 96 4.389 0.517 -2.816 1.00 0.00 C ATOM 988 CG2 ILE A 96 6.653 -0.693 -3.077 1.00 0.00 C ATOM 989 CD1 ILE A 96 4.629 1.618 -3.863 1.00 0.00 C ATOM 0 H ILE A 96 4.201 -2.075 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 96 6.347 -1.289 -0.460 1.00 0.00 H new ATOM 0 HB ILE A 96 6.127 0.865 -1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.888 -0.318 -3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.703 0.903 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.824 -0.029 -3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.598 -0.884 -2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.236 -1.635 -3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.677 1.918 -4.300 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.097 2.479 -3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.284 1.238 -4.647 1.00 0.00 H new ATOM 1001 N GLN A 97 5.534 0.633 1.037 1.00 0.00 N ATOM 1002 CA GLN A 97 5.071 1.517 2.143 1.00 0.00 C ATOM 1003 C GLN A 97 3.972 2.566 1.760 1.00 0.00 C ATOM 1004 O GLN A 97 3.066 2.791 2.567 1.00 0.00 O ATOM 1005 CB GLN A 97 6.337 2.157 2.776 1.00 0.00 C ATOM 1006 CG GLN A 97 6.095 2.874 4.121 1.00 0.00 C ATOM 1007 CD GLN A 97 7.363 3.467 4.765 1.00 0.00 C ATOM 1008 OE1 GLN A 97 8.261 3.982 4.098 1.00 0.00 O ATOM 1009 NE2 GLN A 97 7.446 3.441 6.087 1.00 0.00 N ATOM 0 H GLN A 97 6.533 0.711 0.848 1.00 0.00 H new ATOM 0 HA GLN A 97 4.538 0.904 2.870 1.00 0.00 H new ATOM 0 HB2 GLN A 97 7.085 1.378 2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 97 6.758 2.872 2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.372 3.675 3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.644 2.168 4.819 1.00 0.00 H new ATOM 0 HE21 GLN A 97 6.700 3.014 6.636 1.00 0.00 H new ATOM 0 HE22 GLN A 97 8.255 3.848 6.555 1.00 0.00 H new ATOM 1018 N ALA A 98 4.017 3.157 0.546 1.00 0.00 N ATOM 1019 CA ALA A 98 2.894 3.958 -0.015 1.00 0.00 C ATOM 1020 C ALA A 98 1.509 3.255 -0.152 1.00 0.00 C ATOM 1021 O ALA A 98 0.494 3.913 0.094 1.00 0.00 O ATOM 1022 CB ALA A 98 3.327 4.519 -1.380 1.00 0.00 C ATOM 0 H ALA A 98 4.825 3.096 -0.073 1.00 0.00 H new ATOM 0 HA ALA A 98 2.711 4.733 0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.515 5.109 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.206 5.151 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.568 3.695 -2.052 1.00 0.00 H new ATOM 1028 N LEU A 99 1.455 1.955 -0.523 1.00 0.00 N ATOM 1029 CA LEU A 99 0.187 1.174 -0.592 1.00 0.00 C ATOM 1030 C LEU A 99 -0.449 0.871 0.805 1.00 0.00 C ATOM 1031 O LEU A 99 -1.636 1.149 0.980 1.00 0.00 O ATOM 1032 CB LEU A 99 0.352 -0.108 -1.472 1.00 0.00 C ATOM 1033 CG LEU A 99 -0.661 -0.269 -2.644 1.00 0.00 C ATOM 1034 CD1 LEU A 99 -0.337 -1.518 -3.486 1.00 0.00 C ATOM 1035 CD2 LEU A 99 -2.138 -0.327 -2.196 1.00 0.00 C ATOM 0 H LEU A 99 2.281 1.416 -0.783 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.538 1.820 -1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.360 -0.112 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.270 -0.981 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.545 0.633 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.059 -1.607 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.666 -1.426 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.389 -2.405 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.779 -0.440 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.283 -1.176 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.396 0.594 -1.673 1.00 0.00 H new ATOM 1047 N ASP A 100 0.322 0.362 1.793 1.00 0.00 N ATOM 1048 CA ASP A 100 -0.116 0.249 3.223 1.00 0.00 C ATOM 1049 C ASP A 100 -0.605 1.582 3.920 1.00 0.00 C ATOM 1050 O ASP A 100 -1.552 1.548 4.714 1.00 0.00 O ATOM 1051 CB ASP A 100 1.072 -0.406 3.980 1.00 0.00 C ATOM 1052 CG ASP A 100 0.696 -0.902 5.371 1.00 0.00 C ATOM 1053 OD1 ASP A 100 0.774 -0.126 6.346 1.00 0.00 O ATOM 1054 OD2 ASP A 100 0.209 -2.044 5.495 1.00 0.00 O ATOM 0 H ASP A 100 1.268 0.015 1.632 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.024 -0.354 3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.452 -1.242 3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 100 1.883 0.317 4.066 1.00 0.00 H new ATOM 1059 N LEU A 101 0.032 2.733 3.620 1.00 0.00 N ATOM 1060 CA LEU A 101 -0.431 4.077 4.078 1.00 0.00 C ATOM 1061 C LEU A 101 -1.673 4.652 3.315 1.00 0.00 C ATOM 1062 O LEU A 101 -2.483 5.333 3.951 1.00 0.00 O ATOM 1063 CB LEU A 101 0.769 5.067 4.058 1.00 0.00 C ATOM 1064 CG LEU A 101 1.861 4.853 5.149 1.00 0.00 C ATOM 1065 CD1 LEU A 101 3.142 5.634 4.806 1.00 0.00 C ATOM 1066 CD2 LEU A 101 1.385 5.245 6.564 1.00 0.00 C ATOM 0 H LEU A 101 0.881 2.766 3.055 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.796 3.946 5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.246 5.006 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.378 6.080 4.159 1.00 0.00 H new ATOM 0 HG LEU A 101 2.071 3.784 5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.888 5.468 5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.532 5.290 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.914 6.698 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.190 5.073 7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.108 6.299 6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.521 4.640 6.838 1.00 0.00 H new ATOM 1078 N SER A 102 -1.865 4.372 2.007 1.00 0.00 N ATOM 1079 CA SER A 102 -3.164 4.606 1.300 1.00 0.00 C ATOM 1080 C SER A 102 -4.341 3.604 1.577 1.00 0.00 C ATOM 1081 O SER A 102 -5.482 3.903 1.211 1.00 0.00 O ATOM 1082 CB SER A 102 -2.896 4.738 -0.218 1.00 0.00 C ATOM 1083 OG SER A 102 -2.460 3.513 -0.801 1.00 0.00 O ATOM 0 H SER A 102 -1.138 3.981 1.408 1.00 0.00 H new ATOM 0 HA SER A 102 -3.544 5.531 1.734 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.806 5.071 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.141 5.506 -0.385 1.00 0.00 H new ATOM 0 HG SER A 102 -2.237 2.874 -0.092 1.00 0.00 H new ATOM 1089 N VAL A 103 -4.077 2.454 2.232 1.00 0.00 N ATOM 1090 CA VAL A 103 -5.097 1.475 2.709 1.00 0.00 C ATOM 1091 C VAL A 103 -6.224 2.075 3.637 1.00 0.00 C ATOM 1092 O VAL A 103 -7.384 1.805 3.307 1.00 0.00 O ATOM 1093 CB VAL A 103 -4.334 0.193 3.228 1.00 0.00 C ATOM 1094 CG1 VAL A 103 -4.908 -0.520 4.469 1.00 0.00 C ATOM 1095 CG2 VAL A 103 -4.094 -0.839 2.104 1.00 0.00 C ATOM 0 H VAL A 103 -3.124 2.166 2.454 1.00 0.00 H new ATOM 0 HA VAL A 103 -5.728 1.162 1.877 1.00 0.00 H new ATOM 0 HB VAL A 103 -3.391 0.623 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.286 -1.381 4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -4.920 0.170 5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.924 -0.854 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.567 -1.702 2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.052 -1.159 1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.494 -0.385 1.315 1.00 0.00 H new ATOM 1105 N PRO A 104 -6.004 2.868 4.732 1.00 0.00 N ATOM 1106 CA PRO A 104 -7.107 3.500 5.516 1.00 0.00 C ATOM 1107 C PRO A 104 -8.055 4.533 4.819 1.00 0.00 C ATOM 1108 O PRO A 104 -9.098 4.837 5.405 1.00 0.00 O ATOM 1109 CB PRO A 104 -6.362 4.106 6.725 1.00 0.00 C ATOM 1110 CG PRO A 104 -4.919 4.300 6.259 1.00 0.00 C ATOM 1111 CD PRO A 104 -4.677 3.116 5.331 1.00 0.00 C ATOM 0 HA PRO A 104 -7.853 2.738 5.743 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.808 5.054 7.026 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.410 3.443 7.588 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -4.790 5.249 5.739 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.224 4.300 7.098 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -3.931 3.348 4.571 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.315 2.245 5.878 1.00 0.00 H new ATOM 1119 N LEU A 105 -7.731 5.060 3.616 1.00 0.00 N ATOM 1120 CA LEU A 105 -8.663 5.905 2.820 1.00 0.00 C ATOM 1121 C LEU A 105 -8.777 5.313 1.380 1.00 0.00 C ATOM 1122 O LEU A 105 -8.186 5.842 0.432 1.00 0.00 O ATOM 1123 CB LEU A 105 -8.232 7.405 2.800 1.00 0.00 C ATOM 1124 CG LEU A 105 -8.200 8.190 4.145 1.00 0.00 C ATOM 1125 CD1 LEU A 105 -6.850 8.072 4.888 1.00 0.00 C ATOM 1126 CD2 LEU A 105 -8.504 9.685 3.917 1.00 0.00 C ATOM 0 H LEU A 105 -6.825 4.916 3.169 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.644 5.888 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.235 7.457 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.904 7.934 2.124 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.970 7.734 4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.895 8.641 5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.649 7.025 5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.052 8.466 4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.476 10.212 4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.758 10.110 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.494 9.791 3.473 1.00 0.00 H new ATOM 1138 N MET A 106 -9.562 4.228 1.210 1.00 0.00 N ATOM 1139 CA MET A 106 -9.940 3.700 -0.133 1.00 0.00 C ATOM 1140 C MET A 106 -11.169 2.761 0.030 1.00 0.00 C ATOM 1141 O MET A 106 -11.060 1.659 0.579 1.00 0.00 O ATOM 1142 CB MET A 106 -8.781 3.066 -0.965 1.00 0.00 C ATOM 1143 CG MET A 106 -8.021 1.865 -0.377 1.00 0.00 C ATOM 1144 SD MET A 106 -6.622 1.481 -1.458 1.00 0.00 S ATOM 1145 CE MET A 106 -6.119 -0.144 -0.857 1.00 0.00 C ATOM 0 H MET A 106 -9.952 3.693 1.986 1.00 0.00 H new ATOM 0 HA MET A 106 -10.209 4.557 -0.750 1.00 0.00 H new ATOM 0 HB2 MET A 106 -9.194 2.758 -1.926 1.00 0.00 H new ATOM 0 HB3 MET A 106 -8.052 3.851 -1.168 1.00 0.00 H new ATOM 0 HG2 MET A 106 -7.670 2.095 0.629 1.00 0.00 H new ATOM 0 HG3 MET A 106 -8.683 1.003 -0.294 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.033 -0.181 -0.774 1.00 0.00 H new ATOM 0 HE2 MET A 106 -6.564 -0.324 0.122 1.00 0.00 H new ATOM 0 HE3 MET A 106 -6.456 -0.910 -1.555 1.00 0.00 H new ATOM 1155 N ASP A 107 -12.336 3.214 -0.463 1.00 0.00 N ATOM 1156 CA ASP A 107 -13.603 2.420 -0.453 1.00 0.00 C ATOM 1157 C ASP A 107 -13.756 1.528 -1.734 1.00 0.00 C ATOM 1158 O ASP A 107 -13.022 1.662 -2.722 1.00 0.00 O ATOM 1159 CB ASP A 107 -14.801 3.397 -0.269 1.00 0.00 C ATOM 1160 CG ASP A 107 -14.841 4.165 1.047 1.00 0.00 C ATOM 1161 OD1 ASP A 107 -14.870 3.537 2.122 1.00 0.00 O ATOM 1162 OD2 ASP A 107 -14.782 5.410 1.033 1.00 0.00 O ATOM 0 H ASP A 107 -12.439 4.138 -0.882 1.00 0.00 H new ATOM 0 HA ASP A 107 -13.580 1.721 0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -14.785 4.117 -1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -15.726 2.828 -0.363 1.00 0.00 H new ATOM 1167 N VAL A 108 -14.736 0.600 -1.707 1.00 0.00 N ATOM 1168 CA VAL A 108 -14.960 -0.393 -2.800 1.00 0.00 C ATOM 1169 C VAL A 108 -15.401 0.279 -4.140 1.00 0.00 C ATOM 1170 O VAL A 108 -16.365 1.050 -4.180 1.00 0.00 O ATOM 1171 CB VAL A 108 -15.921 -1.560 -2.382 1.00 0.00 C ATOM 1172 CG1 VAL A 108 -15.280 -2.520 -1.354 1.00 0.00 C ATOM 1173 CG2 VAL A 108 -17.327 -1.126 -1.902 1.00 0.00 C ATOM 0 H VAL A 108 -15.396 0.511 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 108 -13.988 -0.851 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.078 -2.094 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -15.989 -3.308 -1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -14.382 -2.964 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -15.017 -1.965 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -17.910 -2.008 -1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.230 -0.480 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.833 -0.583 -2.701 1.00 0.00 H new ATOM 1183 N GLY A 109 -14.646 -0.007 -5.215 1.00 0.00 N ATOM 1184 CA GLY A 109 -14.832 0.655 -6.531 1.00 0.00 C ATOM 1185 C GLY A 109 -14.142 2.022 -6.790 1.00 0.00 C ATOM 1186 O GLY A 109 -14.392 2.590 -7.857 1.00 0.00 O ATOM 0 H GLY A 109 -13.894 -0.696 -5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.489 -0.038 -7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -15.903 0.793 -6.682 1.00 0.00 H new ATOM 1190 N GLU A 110 -13.332 2.576 -5.861 1.00 0.00 N ATOM 1191 CA GLU A 110 -13.013 4.032 -5.851 1.00 0.00 C ATOM 1192 C GLU A 110 -11.535 4.340 -6.233 1.00 0.00 C ATOM 1193 O GLU A 110 -10.585 3.800 -5.650 1.00 0.00 O ATOM 1194 CB GLU A 110 -13.364 4.617 -4.454 1.00 0.00 C ATOM 1195 CG GLU A 110 -14.852 4.530 -4.015 1.00 0.00 C ATOM 1196 CD GLU A 110 -15.905 5.025 -4.999 1.00 0.00 C ATOM 1197 OE1 GLU A 110 -15.790 6.167 -5.485 1.00 0.00 O ATOM 1198 OE2 GLU A 110 -16.866 4.276 -5.267 1.00 0.00 O ATOM 0 H GLU A 110 -12.887 2.047 -5.111 1.00 0.00 H new ATOM 0 HA GLU A 110 -13.619 4.511 -6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -12.758 4.103 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -13.066 5.665 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -15.073 3.489 -3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -14.964 5.096 -3.090 1.00 0.00 H new ATOM 1205 N THR A 111 -11.365 5.280 -7.184 1.00 0.00 N ATOM 1206 CA THR A 111 -10.029 5.769 -7.626 1.00 0.00 C ATOM 1207 C THR A 111 -9.458 6.781 -6.582 1.00 0.00 C ATOM 1208 O THR A 111 -10.156 7.695 -6.132 1.00 0.00 O ATOM 1209 CB THR A 111 -10.124 6.382 -9.058 1.00 0.00 C ATOM 1210 OG1 THR A 111 -10.743 5.462 -9.955 1.00 0.00 O ATOM 1211 CG2 THR A 111 -8.766 6.758 -9.684 1.00 0.00 C ATOM 0 H THR A 111 -12.143 5.725 -7.671 1.00 0.00 H new ATOM 0 HA THR A 111 -9.333 4.932 -7.682 1.00 0.00 H new ATOM 0 HB THR A 111 -10.707 7.293 -8.923 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.797 5.862 -10.848 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.927 7.176 -10.678 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.268 7.496 -9.056 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.142 5.868 -9.762 1.00 0.00 H new ATOM 1219 N ALA A 112 -8.176 6.590 -6.229 1.00 0.00 N ATOM 1220 CA ALA A 112 -7.420 7.515 -5.350 1.00 0.00 C ATOM 1221 C ALA A 112 -6.091 7.878 -6.051 1.00 0.00 C ATOM 1222 O ALA A 112 -5.253 7.006 -6.308 1.00 0.00 O ATOM 1223 CB ALA A 112 -7.151 6.857 -3.984 1.00 0.00 C ATOM 0 H ALA A 112 -7.628 5.789 -6.543 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.002 8.420 -5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.595 7.548 -3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.099 6.609 -3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.568 5.947 -4.127 1.00 0.00 H new ATOM 1229 N MET A 113 -5.893 9.180 -6.329 1.00 0.00 N ATOM 1230 CA MET A 113 -4.646 9.690 -6.955 1.00 0.00 C ATOM 1231 C MET A 113 -3.539 9.837 -5.871 1.00 0.00 C ATOM 1232 O MET A 113 -3.593 10.740 -5.031 1.00 0.00 O ATOM 1233 CB MET A 113 -4.942 11.037 -7.671 1.00 0.00 C ATOM 1234 CG MET A 113 -3.855 11.456 -8.670 1.00 0.00 C ATOM 1235 SD MET A 113 -3.932 10.364 -10.106 1.00 0.00 S ATOM 1236 CE MET A 113 -2.183 10.172 -10.483 1.00 0.00 C ATOM 0 H MET A 113 -6.581 9.906 -6.131 1.00 0.00 H new ATOM 0 HA MET A 113 -4.283 8.986 -7.704 1.00 0.00 H new ATOM 0 HB2 MET A 113 -5.894 10.958 -8.196 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.055 11.820 -6.921 1.00 0.00 H new ATOM 0 HG2 MET A 113 -4.002 12.492 -8.975 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.871 11.398 -8.204 1.00 0.00 H new ATOM 0 HE1 MET A 113 -2.067 9.521 -11.350 1.00 0.00 H new ATOM 0 HE2 MET A 113 -1.748 11.148 -10.701 1.00 0.00 H new ATOM 0 HE3 MET A 113 -1.673 9.730 -9.627 1.00 0.00 H new ATOM 1246 N VAL A 114 -2.559 8.920 -5.906 1.00 0.00 N ATOM 1247 CA VAL A 114 -1.468 8.849 -4.895 1.00 0.00 C ATOM 1248 C VAL A 114 -0.186 9.368 -5.607 1.00 0.00 C ATOM 1249 O VAL A 114 0.322 8.726 -6.530 1.00 0.00 O ATOM 1250 CB VAL A 114 -1.317 7.398 -4.310 1.00 0.00 C ATOM 1251 CG1 VAL A 114 -0.135 7.261 -3.317 1.00 0.00 C ATOM 1252 CG2 VAL A 114 -2.589 6.883 -3.595 1.00 0.00 C ATOM 0 H VAL A 114 -2.492 8.205 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 114 -1.682 9.467 -4.023 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.129 6.790 -5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.085 6.236 -2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.797 7.510 -3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -0.284 7.940 -2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.411 5.876 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.833 7.545 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -3.420 6.865 -4.300 1.00 0.00 H new ATOM 1262 N THR A 115 0.347 10.507 -5.131 1.00 0.00 N ATOM 1263 CA THR A 115 1.690 11.010 -5.536 1.00 0.00 C ATOM 1264 C THR A 115 2.718 10.509 -4.481 1.00 0.00 C ATOM 1265 O THR A 115 2.823 11.049 -3.374 1.00 0.00 O ATOM 1266 CB THR A 115 1.714 12.555 -5.732 1.00 0.00 C ATOM 1267 OG1 THR A 115 1.143 13.233 -4.617 1.00 0.00 O ATOM 1268 CG2 THR A 115 0.997 13.018 -7.012 1.00 0.00 C ATOM 0 H THR A 115 -0.130 11.108 -4.459 1.00 0.00 H new ATOM 0 HA THR A 115 1.958 10.615 -6.516 1.00 0.00 H new ATOM 0 HB THR A 115 2.769 12.812 -5.824 1.00 0.00 H new ATOM 0 HG1 THR A 115 0.209 13.457 -4.814 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.051 14.104 -7.087 1.00 0.00 H new ATOM 0 HG22 THR A 115 1.479 12.570 -7.881 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.048 12.708 -6.976 1.00 0.00 H new ATOM 1276 N ALA A 116 3.443 9.439 -4.850 1.00 0.00 N ATOM 1277 CA ALA A 116 4.363 8.712 -3.943 1.00 0.00 C ATOM 1278 C ALA A 116 5.807 9.262 -4.024 1.00 0.00 C ATOM 1279 O ALA A 116 6.399 9.323 -5.104 1.00 0.00 O ATOM 1280 CB ALA A 116 4.310 7.224 -4.329 1.00 0.00 C ATOM 0 H ALA A 116 3.410 9.048 -5.791 1.00 0.00 H new ATOM 0 HA ALA A 116 4.049 8.849 -2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.977 6.656 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 116 3.291 6.855 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 116 4.625 7.106 -5.366 1.00 0.00 H new ATOM 1286 N ASP A 117 6.365 9.634 -2.861 1.00 0.00 N ATOM 1287 CA ASP A 117 7.715 10.256 -2.757 1.00 0.00 C ATOM 1288 C ASP A 117 8.916 9.310 -3.122 1.00 0.00 C ATOM 1289 O ASP A 117 8.800 8.080 -3.155 1.00 0.00 O ATOM 1290 CB ASP A 117 7.773 10.793 -1.297 1.00 0.00 C ATOM 1291 CG ASP A 117 8.947 11.721 -0.996 1.00 0.00 C ATOM 1292 OD1 ASP A 117 8.888 12.903 -1.387 1.00 0.00 O ATOM 1293 OD2 ASP A 117 9.936 11.261 -0.387 1.00 0.00 O ATOM 0 H ASP A 117 5.901 9.516 -1.960 1.00 0.00 H new ATOM 0 HA ASP A 117 7.837 11.044 -3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 117 6.846 11.325 -1.085 1.00 0.00 H new ATOM 0 HB3 ASP A 117 7.817 9.944 -0.615 1.00 0.00 H new ATOM 1298 N SER A 118 10.098 9.917 -3.335 1.00 0.00 N ATOM 1299 CA SER A 118 11.407 9.203 -3.307 1.00 0.00 C ATOM 1300 C SER A 118 11.721 8.354 -2.030 1.00 0.00 C ATOM 1301 O SER A 118 12.185 7.218 -2.168 1.00 0.00 O ATOM 1302 CB SER A 118 12.533 10.221 -3.596 1.00 0.00 C ATOM 1303 OG SER A 118 12.633 11.229 -2.596 1.00 0.00 O ATOM 0 H SER A 118 10.183 10.914 -3.532 1.00 0.00 H new ATOM 0 HA SER A 118 11.341 8.443 -4.086 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.484 9.693 -3.670 1.00 0.00 H new ATOM 0 HB3 SER A 118 12.353 10.691 -4.563 1.00 0.00 H new ATOM 0 HG SER A 118 13.360 11.845 -2.824 1.00 0.00 H new ATOM 1309 N LYS A 119 11.427 8.872 -0.817 1.00 0.00 N ATOM 1310 CA LYS A 119 11.371 8.050 0.426 1.00 0.00 C ATOM 1311 C LYS A 119 10.223 6.979 0.462 1.00 0.00 C ATOM 1312 O LYS A 119 10.478 5.856 0.908 1.00 0.00 O ATOM 1313 CB LYS A 119 11.298 9.053 1.615 1.00 0.00 C ATOM 1314 CG LYS A 119 11.371 8.439 3.035 1.00 0.00 C ATOM 1315 CD LYS A 119 11.200 9.514 4.126 1.00 0.00 C ATOM 1316 CE LYS A 119 11.155 8.926 5.547 1.00 0.00 C ATOM 1317 NZ LYS A 119 10.912 10.024 6.522 1.00 0.00 N ATOM 0 H LYS A 119 11.223 9.860 -0.666 1.00 0.00 H new ATOM 0 HA LYS A 119 12.266 7.430 0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.113 9.769 1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.368 9.615 1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.595 7.681 3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 119 12.329 7.936 3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.023 10.226 4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.281 10.070 3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.366 8.178 5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.094 8.422 5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 10.881 9.633 7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.680 10.722 6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 10.005 10.486 6.306 1.00 0.00 H new ATOM 1331 N TYR A 120 8.991 7.338 0.042 1.00 0.00 N ATOM 1332 CA TYR A 120 7.806 6.436 0.109 1.00 0.00 C ATOM 1333 C TYR A 120 7.487 5.862 -1.304 1.00 0.00 C ATOM 1334 O TYR A 120 6.451 6.177 -1.892 1.00 0.00 O ATOM 1335 CB TYR A 120 6.597 7.198 0.738 1.00 0.00 C ATOM 1336 CG TYR A 120 6.777 7.667 2.195 1.00 0.00 C ATOM 1337 CD1 TYR A 120 6.554 6.782 3.251 1.00 0.00 C ATOM 1338 CD2 TYR A 120 7.227 8.967 2.470 1.00 0.00 C ATOM 1339 CE1 TYR A 120 6.818 7.170 4.563 1.00 0.00 C ATOM 1340 CE2 TYR A 120 7.488 9.351 3.781 1.00 0.00 C ATOM 1341 CZ TYR A 120 7.305 8.450 4.824 1.00 0.00 C ATOM 1342 OH TYR A 120 7.606 8.816 6.108 1.00 0.00 O ATOM 0 H TYR A 120 8.783 8.255 -0.352 1.00 0.00 H new ATOM 0 HA TYR A 120 8.022 5.584 0.754 1.00 0.00 H new ATOM 0 HB2 TYR A 120 6.382 8.070 0.121 1.00 0.00 H new ATOM 0 HB3 TYR A 120 5.721 6.551 0.691 1.00 0.00 H new ATOM 0 HD1 TYR A 120 6.175 5.791 3.050 1.00 0.00 H new ATOM 0 HD2 TYR A 120 7.371 9.670 1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 120 6.646 6.480 5.376 1.00 0.00 H new ATOM 0 HE2 TYR A 120 7.834 10.353 3.990 1.00 0.00 H new ATOM 0 HH TYR A 120 8.298 8.221 6.464 1.00 0.00 H new ATOM 1352 N CYS A 121 8.380 5.009 -1.845 1.00 0.00 N ATOM 1353 CA CYS A 121 8.139 4.264 -3.109 1.00 0.00 C ATOM 1354 C CYS A 121 8.886 2.909 -2.983 1.00 0.00 C ATOM 1355 O CYS A 121 8.313 1.976 -2.418 1.00 0.00 O ATOM 1356 CB CYS A 121 8.447 5.120 -4.365 1.00 0.00 C ATOM 1357 SG CYS A 121 8.098 4.167 -5.877 1.00 0.00 S ATOM 0 H CYS A 121 9.288 4.814 -1.423 1.00 0.00 H new ATOM 0 HA CYS A 121 7.084 4.038 -3.261 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.844 6.028 -4.352 1.00 0.00 H new ATOM 0 HB3 CYS A 121 9.492 5.430 -4.355 1.00 0.00 H new ATOM 0 HG CYS A 121 8.732 4.697 -6.880 1.00 0.00 H new ATOM 1363 N TYR A 122 10.144 2.792 -3.454 1.00 0.00 N ATOM 1364 CA TYR A 122 11.002 1.593 -3.203 1.00 0.00 C ATOM 1365 C TYR A 122 12.372 1.992 -2.539 1.00 0.00 C ATOM 1366 O TYR A 122 13.417 1.440 -2.901 1.00 0.00 O ATOM 1367 CB TYR A 122 11.194 0.809 -4.539 1.00 0.00 C ATOM 1368 CG TYR A 122 9.987 0.073 -5.165 1.00 0.00 C ATOM 1369 CD1 TYR A 122 9.084 0.758 -5.988 1.00 0.00 C ATOM 1370 CD2 TYR A 122 9.856 -1.314 -5.023 1.00 0.00 C ATOM 1371 CE1 TYR A 122 8.072 0.072 -6.654 1.00 0.00 C ATOM 1372 CE2 TYR A 122 8.848 -2.001 -5.696 1.00 0.00 C ATOM 1373 CZ TYR A 122 7.956 -1.308 -6.512 1.00 0.00 C ATOM 1374 OH TYR A 122 6.967 -1.989 -7.173 1.00 0.00 O ATOM 0 H TYR A 122 10.600 3.512 -4.014 1.00 0.00 H new ATOM 0 HA TYR A 122 10.504 0.937 -2.489 1.00 0.00 H new ATOM 0 HB2 TYR A 122 11.569 1.514 -5.281 1.00 0.00 H new ATOM 0 HB3 TYR A 122 11.979 0.071 -4.376 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.174 1.828 -6.107 1.00 0.00 H new ATOM 0 HD2 TYR A 122 10.541 -1.855 -4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 122 7.377 0.611 -7.281 1.00 0.00 H new ATOM 0 HE2 TYR A 122 8.758 -3.072 -5.585 1.00 0.00 H new ATOM 0 HH TYR A 122 6.805 -1.568 -8.043 1.00 0.00 H new ATOM 1384 N GLY A 123 12.377 2.922 -1.551 1.00 0.00 N ATOM 1385 CA GLY A 123 13.598 3.396 -0.856 1.00 0.00 C ATOM 1386 C GLY A 123 14.697 3.993 -1.784 1.00 0.00 C ATOM 1387 O GLY A 123 14.452 5.070 -2.337 1.00 0.00 O ATOM 0 H GLY A 123 11.524 3.368 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.311 4.152 -0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.027 2.563 -0.300 1.00 0.00 H new ATOM 1391 N PRO A 124 15.871 3.334 -2.013 1.00 0.00 N ATOM 1392 CA PRO A 124 16.904 3.823 -2.960 1.00 0.00 C ATOM 1393 C PRO A 124 16.594 3.605 -4.476 1.00 0.00 C ATOM 1394 O PRO A 124 16.719 4.561 -5.245 1.00 0.00 O ATOM 1395 CB PRO A 124 18.178 3.116 -2.458 1.00 0.00 C ATOM 1396 CG PRO A 124 17.702 1.821 -1.796 1.00 0.00 C ATOM 1397 CD PRO A 124 16.304 2.140 -1.259 1.00 0.00 C ATOM 0 HA PRO A 124 16.983 4.910 -2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 124 18.860 2.906 -3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 124 18.719 3.742 -1.748 1.00 0.00 H new ATOM 0 HG2 PRO A 124 17.672 1.000 -2.512 1.00 0.00 H new ATOM 0 HG3 PRO A 124 18.374 1.519 -0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 124 15.621 1.305 -1.415 1.00 0.00 H new ATOM 0 HD3 PRO A 124 16.328 2.337 -0.187 1.00 0.00 H new ATOM 1405 N GLN A 125 16.224 2.375 -4.898 1.00 0.00 N ATOM 1406 CA GLN A 125 15.976 2.022 -6.313 1.00 0.00 C ATOM 1407 C GLN A 125 14.946 0.858 -6.359 1.00 0.00 C ATOM 1408 O GLN A 125 15.070 -0.144 -5.643 1.00 0.00 O ATOM 1409 CB GLN A 125 17.295 1.720 -7.082 1.00 0.00 C ATOM 1410 CG GLN A 125 18.217 0.555 -6.638 1.00 0.00 C ATOM 1411 CD GLN A 125 17.785 -0.857 -7.080 1.00 0.00 C ATOM 1412 OE1 GLN A 125 17.286 -1.072 -8.186 1.00 0.00 O ATOM 1413 NE2 GLN A 125 17.987 -1.853 -6.232 1.00 0.00 N ATOM 0 H GLN A 125 16.088 1.592 -4.259 1.00 0.00 H new ATOM 0 HA GLN A 125 15.548 2.876 -6.838 1.00 0.00 H new ATOM 0 HB2 GLN A 125 17.026 1.538 -8.123 1.00 0.00 H new ATOM 0 HB3 GLN A 125 17.895 2.630 -7.062 1.00 0.00 H new ATOM 0 HG2 GLN A 125 19.219 0.744 -7.024 1.00 0.00 H new ATOM 0 HG3 GLN A 125 18.287 0.568 -5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 125 18.400 -1.669 -5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 125 17.729 -2.805 -6.493 1.00 0.00 H new ATOM 1422 N GLY A 126 13.941 1.005 -7.231 1.00 0.00 N ATOM 1423 CA GLY A 126 12.891 -0.020 -7.429 1.00 0.00 C ATOM 1424 C GLY A 126 13.145 -0.905 -8.659 1.00 0.00 C ATOM 1425 O GLY A 126 14.202 -1.534 -8.778 1.00 0.00 O ATOM 0 H GLY A 126 13.827 1.830 -7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 126 12.832 -0.649 -6.541 1.00 0.00 H new ATOM 0 HA3 GLY A 126 11.925 0.473 -7.535 1.00 0.00 H new ATOM 1429 N ARG A 127 12.149 -0.951 -9.556 1.00 0.00 N ATOM 1430 CA ARG A 127 12.217 -1.740 -10.819 1.00 0.00 C ATOM 1431 C ARG A 127 12.855 -0.915 -11.985 1.00 0.00 C ATOM 1432 O ARG A 127 12.187 -0.581 -12.967 1.00 0.00 O ATOM 1433 CB ARG A 127 10.763 -2.207 -11.130 1.00 0.00 C ATOM 1434 CG ARG A 127 10.164 -3.292 -10.197 1.00 0.00 C ATOM 1435 CD ARG A 127 8.632 -3.328 -10.306 1.00 0.00 C ATOM 1436 NE ARG A 127 8.049 -4.438 -9.507 1.00 0.00 N ATOM 1437 CZ ARG A 127 6.748 -4.739 -9.471 1.00 0.00 C ATOM 1438 NH1 ARG A 127 5.805 -4.047 -10.060 1.00 0.00 N ATOM 1439 NH2 ARG A 127 6.362 -5.794 -8.815 1.00 0.00 N ATOM 0 H ARG A 127 11.270 -0.447 -9.437 1.00 0.00 H new ATOM 0 HA ARG A 127 12.870 -2.606 -10.707 1.00 0.00 H new ATOM 0 HB2 ARG A 127 10.111 -1.334 -11.098 1.00 0.00 H new ATOM 0 HB3 ARG A 127 10.739 -2.586 -12.152 1.00 0.00 H new ATOM 0 HG2 ARG A 127 10.574 -4.268 -10.458 1.00 0.00 H new ATOM 0 HG3 ARG A 127 10.454 -3.090 -9.166 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.221 -2.378 -9.964 1.00 0.00 H new ATOM 0 HD3 ARG A 127 8.344 -3.442 -11.351 1.00 0.00 H new ATOM 0 HE ARG A 127 8.685 -5.008 -8.949 1.00 0.00 H new ATOM 0 HH11 ARG A 127 6.044 -3.211 -10.594 1.00 0.00 H new ATOM 0 HH12 ARG A 127 4.832 -4.344 -9.985 1.00 0.00 H new ATOM 0 HH21 ARG A 127 7.049 -6.378 -8.338 1.00 0.00 H new ATOM 0 HH22 ARG A 127 5.372 -6.038 -8.778 1.00 0.00 H new ATOM 1453 N SER A 128 14.165 -0.611 -11.887 1.00 0.00 N ATOM 1454 CA SER A 128 14.860 0.301 -12.837 1.00 0.00 C ATOM 1455 C SER A 128 15.138 -0.386 -14.218 1.00 0.00 C ATOM 1456 O SER A 128 15.529 -1.561 -14.211 1.00 0.00 O ATOM 1457 CB SER A 128 16.163 0.820 -12.186 1.00 0.00 C ATOM 1458 OG SER A 128 15.888 1.568 -11.004 1.00 0.00 O ATOM 0 H SER A 128 14.772 -0.983 -11.157 1.00 0.00 H new ATOM 0 HA SER A 128 14.206 1.147 -13.047 1.00 0.00 H new ATOM 0 HB2 SER A 128 16.812 -0.022 -11.944 1.00 0.00 H new ATOM 0 HB3 SER A 128 16.704 1.445 -12.897 1.00 0.00 H new ATOM 0 HG SER A 128 14.960 1.882 -11.024 1.00 0.00 H new ATOM 1464 N PRO A 129 14.937 0.259 -15.409 1.00 0.00 N ATOM 1465 CA PRO A 129 14.643 1.719 -15.553 1.00 0.00 C ATOM 1466 C PRO A 129 13.164 2.225 -15.426 1.00 0.00 C ATOM 1467 O PRO A 129 12.962 3.443 -15.413 1.00 0.00 O ATOM 1468 CB PRO A 129 15.221 1.988 -16.958 1.00 0.00 C ATOM 1469 CG PRO A 129 14.974 0.697 -17.741 1.00 0.00 C ATOM 1470 CD PRO A 129 15.203 -0.402 -16.704 1.00 0.00 C ATOM 0 HA PRO A 129 15.069 2.267 -14.713 1.00 0.00 H new ATOM 0 HB2 PRO A 129 14.728 2.837 -17.432 1.00 0.00 H new ATOM 0 HB3 PRO A 129 16.284 2.223 -16.909 1.00 0.00 H new ATOM 0 HG2 PRO A 129 13.963 0.661 -18.146 1.00 0.00 H new ATOM 0 HG3 PRO A 129 15.659 0.602 -18.584 1.00 0.00 H new ATOM 0 HD2 PRO A 129 14.533 -1.247 -16.865 1.00 0.00 H new ATOM 0 HD3 PRO A 129 16.221 -0.789 -16.752 1.00 0.00 H new ATOM 1478 N TYR A 130 12.155 1.335 -15.313 1.00 0.00 N ATOM 1479 CA TYR A 130 10.715 1.705 -15.132 1.00 0.00 C ATOM 1480 C TYR A 130 10.425 2.581 -13.873 1.00 0.00 C ATOM 1481 O TYR A 130 9.828 3.650 -14.012 1.00 0.00 O ATOM 1482 CB TYR A 130 9.801 0.442 -15.143 1.00 0.00 C ATOM 1483 CG TYR A 130 9.812 -0.393 -16.438 1.00 0.00 C ATOM 1484 CD1 TYR A 130 8.994 -0.040 -17.517 1.00 0.00 C ATOM 1485 CD2 TYR A 130 10.652 -1.508 -16.551 1.00 0.00 C ATOM 1486 CE1 TYR A 130 9.011 -0.792 -18.688 1.00 0.00 C ATOM 1487 CE2 TYR A 130 10.673 -2.255 -17.726 1.00 0.00 C ATOM 1488 CZ TYR A 130 9.851 -1.898 -18.793 1.00 0.00 C ATOM 1489 OH TYR A 130 9.874 -2.633 -19.950 1.00 0.00 O ATOM 0 H TYR A 130 12.308 0.327 -15.344 1.00 0.00 H new ATOM 0 HA TYR A 130 10.475 2.332 -15.991 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.098 -0.203 -14.316 1.00 0.00 H new ATOM 0 HB3 TYR A 130 8.776 0.759 -14.948 1.00 0.00 H new ATOM 0 HD1 TYR A 130 8.346 0.821 -17.441 1.00 0.00 H new ATOM 0 HD2 TYR A 130 11.286 -1.790 -15.723 1.00 0.00 H new ATOM 0 HE1 TYR A 130 8.373 -0.518 -19.515 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.326 -3.111 -17.810 1.00 0.00 H new ATOM 0 HH TYR A 130 10.515 -3.369 -19.857 1.00 0.00 H new ATOM 1499 N ILE A 131 10.882 2.161 -12.676 1.00 0.00 N ATOM 1500 CA ILE A 131 10.906 3.021 -11.463 1.00 0.00 C ATOM 1501 C ILE A 131 12.403 3.469 -11.324 1.00 0.00 C ATOM 1502 O ILE A 131 13.190 2.676 -10.795 1.00 0.00 O ATOM 1503 CB ILE A 131 10.344 2.274 -10.201 1.00 0.00 C ATOM 1504 CG1 ILE A 131 8.957 1.585 -10.383 1.00 0.00 C ATOM 1505 CG2 ILE A 131 10.355 3.168 -8.937 1.00 0.00 C ATOM 1506 CD1 ILE A 131 7.772 2.498 -10.730 1.00 0.00 C ATOM 0 H ILE A 131 11.245 1.221 -12.517 1.00 0.00 H new ATOM 0 HA ILE A 131 10.251 3.888 -11.549 1.00 0.00 H new ATOM 0 HB ILE A 131 11.048 1.454 -10.062 1.00 0.00 H new ATOM 0 HG12 ILE A 131 9.050 0.836 -11.169 1.00 0.00 H new ATOM 0 HG13 ILE A 131 8.718 1.053 -9.462 1.00 0.00 H new ATOM 0 HG21 ILE A 131 9.957 2.607 -8.091 1.00 0.00 H new ATOM 0 HG22 ILE A 131 11.377 3.477 -8.719 1.00 0.00 H new ATOM 0 HG23 ILE A 131 9.738 4.050 -9.110 1.00 0.00 H new ATOM 0 HD11 ILE A 131 6.867 1.898 -10.830 1.00 0.00 H new ATOM 0 HD12 ILE A 131 7.635 3.233 -9.937 1.00 0.00 H new ATOM 0 HD13 ILE A 131 7.972 3.012 -11.670 1.00 0.00 H new ATOM 1518 N PRO A 132 12.852 4.686 -11.760 1.00 0.00 N ATOM 1519 CA PRO A 132 14.272 5.115 -11.626 1.00 0.00 C ATOM 1520 C PRO A 132 14.710 5.436 -10.151 1.00 0.00 C ATOM 1521 O PRO A 132 13.832 5.614 -9.297 1.00 0.00 O ATOM 1522 CB PRO A 132 14.322 6.343 -12.560 1.00 0.00 C ATOM 1523 CG PRO A 132 12.909 6.921 -12.554 1.00 0.00 C ATOM 1524 CD PRO A 132 12.004 5.697 -12.423 1.00 0.00 C ATOM 0 HA PRO A 132 14.980 4.331 -11.894 1.00 0.00 H new ATOM 0 HB2 PRO A 132 15.047 7.076 -12.205 1.00 0.00 H new ATOM 0 HB3 PRO A 132 14.624 6.057 -13.567 1.00 0.00 H new ATOM 0 HG2 PRO A 132 12.765 7.613 -11.724 1.00 0.00 H new ATOM 0 HG3 PRO A 132 12.701 7.474 -13.470 1.00 0.00 H new ATOM 0 HD2 PRO A 132 11.116 5.920 -11.832 1.00 0.00 H new ATOM 0 HD3 PRO A 132 11.660 5.350 -13.397 1.00 0.00 H new ATOM 1532 N PRO A 133 16.029 5.528 -9.801 1.00 0.00 N ATOM 1533 CA PRO A 133 16.484 5.756 -8.403 1.00 0.00 C ATOM 1534 C PRO A 133 16.114 7.166 -7.855 1.00 0.00 C ATOM 1535 O PRO A 133 16.635 8.183 -8.321 1.00 0.00 O ATOM 1536 CB PRO A 133 18.003 5.510 -8.491 1.00 0.00 C ATOM 1537 CG PRO A 133 18.378 5.757 -9.953 1.00 0.00 C ATOM 1538 CD PRO A 133 17.149 5.295 -10.736 1.00 0.00 C ATOM 0 HA PRO A 133 15.993 5.098 -7.686 1.00 0.00 H new ATOM 0 HB2 PRO A 133 18.548 6.182 -7.828 1.00 0.00 H new ATOM 0 HB3 PRO A 133 18.253 4.493 -8.189 1.00 0.00 H new ATOM 0 HG2 PRO A 133 18.595 6.809 -10.137 1.00 0.00 H new ATOM 0 HG3 PRO A 133 19.267 5.194 -10.237 1.00 0.00 H new ATOM 0 HD2 PRO A 133 17.025 5.863 -11.658 1.00 0.00 H new ATOM 0 HD3 PRO A 133 17.225 4.244 -11.016 1.00 0.00 H new ATOM 1546 N HIS A 134 15.183 7.186 -6.878 1.00 0.00 N ATOM 1547 CA HIS A 134 14.663 8.425 -6.224 1.00 0.00 C ATOM 1548 C HIS A 134 13.762 9.251 -7.191 1.00 0.00 C ATOM 1549 O HIS A 134 14.272 9.982 -8.047 1.00 0.00 O ATOM 1550 CB HIS A 134 15.738 9.299 -5.508 1.00 0.00 C ATOM 1551 CG HIS A 134 16.480 8.604 -4.360 1.00 0.00 C ATOM 1552 ND1 HIS A 134 15.978 8.442 -3.081 1.00 0.00 N ATOM 1553 CD2 HIS A 134 17.757 8.020 -4.449 1.00 0.00 C ATOM 1554 CE1 HIS A 134 17.018 7.764 -2.505 1.00 0.00 C ATOM 1555 NE2 HIS A 134 18.139 7.461 -3.238 1.00 0.00 N ATOM 0 H HIS A 134 14.760 6.334 -6.510 1.00 0.00 H new ATOM 0 HA HIS A 134 14.036 8.068 -5.407 1.00 0.00 H new ATOM 0 HB2 HIS A 134 16.469 9.627 -6.247 1.00 0.00 H new ATOM 0 HB3 HIS A 134 15.255 10.195 -5.118 1.00 0.00 H new ATOM 0 HD2 HIS A 134 18.361 8.008 -5.344 1.00 0.00 H new ATOM 0 HE1 HIS A 134 16.957 7.466 -1.469 1.00 0.00 H new ATOM 0 HE2 HIS A 134 18.994 6.973 -2.972 1.00 0.00 H new ATOM 1563 N ALA A 135 12.427 9.110 -7.056 1.00 0.00 N ATOM 1564 CA ALA A 135 11.442 9.795 -7.934 1.00 0.00 C ATOM 1565 C ALA A 135 10.130 10.081 -7.154 1.00 0.00 C ATOM 1566 O ALA A 135 9.573 9.188 -6.505 1.00 0.00 O ATOM 1567 CB ALA A 135 11.148 8.926 -9.176 1.00 0.00 C ATOM 0 H ALA A 135 11.998 8.523 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 135 11.864 10.745 -8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 135 10.425 9.435 -9.814 1.00 0.00 H new ATOM 0 HB2 ALA A 135 12.071 8.762 -9.732 1.00 0.00 H new ATOM 0 HB3 ALA A 135 10.740 7.966 -8.860 1.00 0.00 H new ATOM 1573 N ALA A 136 9.621 11.324 -7.268 1.00 0.00 N ATOM 1574 CA ALA A 136 8.290 11.709 -6.726 1.00 0.00 C ATOM 1575 C ALA A 136 7.205 11.567 -7.834 1.00 0.00 C ATOM 1576 O ALA A 136 6.895 12.521 -8.554 1.00 0.00 O ATOM 1577 CB ALA A 136 8.383 13.132 -6.144 1.00 0.00 C ATOM 0 H ALA A 136 10.111 12.088 -7.733 1.00 0.00 H new ATOM 0 HA ALA A 136 7.990 11.043 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 136 7.413 13.425 -5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 136 9.126 13.151 -5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 136 8.677 13.828 -6.930 1.00 0.00 H new ATOM 1583 N LEU A 137 6.673 10.340 -7.984 1.00 0.00 N ATOM 1584 CA LEU A 137 5.936 9.901 -9.202 1.00 0.00 C ATOM 1585 C LEU A 137 4.440 9.571 -8.912 1.00 0.00 C ATOM 1586 O LEU A 137 4.075 9.073 -7.843 1.00 0.00 O ATOM 1587 CB LEU A 137 6.729 8.748 -9.896 1.00 0.00 C ATOM 1588 CG LEU A 137 6.683 7.293 -9.336 1.00 0.00 C ATOM 1589 CD1 LEU A 137 7.597 6.373 -10.171 1.00 0.00 C ATOM 1590 CD2 LEU A 137 7.039 7.132 -7.845 1.00 0.00 C ATOM 0 H LEU A 137 6.738 9.617 -7.267 1.00 0.00 H new ATOM 0 HA LEU A 137 5.882 10.729 -9.909 1.00 0.00 H new ATOM 0 HB2 LEU A 137 6.388 8.703 -10.930 1.00 0.00 H new ATOM 0 HB3 LEU A 137 7.776 9.049 -9.918 1.00 0.00 H new ATOM 0 HG LEU A 137 5.634 7.008 -9.418 1.00 0.00 H new ATOM 0 HD11 LEU A 137 7.557 5.360 -9.771 1.00 0.00 H new ATOM 0 HD12 LEU A 137 7.259 6.368 -11.207 1.00 0.00 H new ATOM 0 HD13 LEU A 137 8.622 6.741 -10.126 1.00 0.00 H new ATOM 0 HD21 LEU A 137 6.974 6.080 -7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 137 8.054 7.491 -7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 137 6.342 7.711 -7.240 1.00 0.00 H new ATOM 1602 N CYS A 138 3.587 9.832 -9.917 1.00 0.00 N ATOM 1603 CA CYS A 138 2.124 9.583 -9.859 1.00 0.00 C ATOM 1604 C CYS A 138 1.733 8.085 -10.025 1.00 0.00 C ATOM 1605 O CYS A 138 2.443 7.320 -10.681 1.00 0.00 O ATOM 1606 CB CYS A 138 1.519 10.418 -11.010 1.00 0.00 C ATOM 1607 SG CYS A 138 1.678 12.203 -10.678 1.00 0.00 S ATOM 0 H CYS A 138 3.891 10.227 -10.807 1.00 0.00 H new ATOM 0 HA CYS A 138 1.746 9.863 -8.876 1.00 0.00 H new ATOM 0 HB2 CYS A 138 2.022 10.172 -11.945 1.00 0.00 H new ATOM 0 HB3 CYS A 138 0.467 10.161 -11.137 1.00 0.00 H new ATOM 0 HG CYS A 138 1.163 12.875 -11.664 1.00 0.00 H new ATOM 1613 N LEU A 139 0.588 7.679 -9.442 1.00 0.00 N ATOM 1614 CA LEU A 139 -0.010 6.335 -9.643 1.00 0.00 C ATOM 1615 C LEU A 139 -1.515 6.351 -9.246 1.00 0.00 C ATOM 1616 O LEU A 139 -1.872 6.774 -8.140 1.00 0.00 O ATOM 1617 CB LEU A 139 0.770 5.183 -8.943 1.00 0.00 C ATOM 1618 CG LEU A 139 0.916 5.151 -7.393 1.00 0.00 C ATOM 1619 CD1 LEU A 139 1.073 3.708 -6.877 1.00 0.00 C ATOM 1620 CD2 LEU A 139 2.105 5.990 -6.892 1.00 0.00 C ATOM 0 H LEU A 139 0.046 8.273 -8.815 1.00 0.00 H new ATOM 0 HA LEU A 139 0.070 6.112 -10.707 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.296 4.247 -9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.777 5.177 -9.361 1.00 0.00 H new ATOM 0 HG LEU A 139 -0.002 5.587 -6.999 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.173 3.719 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.195 3.125 -7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.962 3.258 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.159 5.932 -5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.029 5.605 -7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 139 1.970 7.029 -7.193 1.00 0.00 H new ATOM 1632 N GLU A 140 -2.391 5.844 -10.138 1.00 0.00 N ATOM 1633 CA GLU A 140 -3.857 5.765 -9.886 1.00 0.00 C ATOM 1634 C GLU A 140 -4.225 4.433 -9.153 1.00 0.00 C ATOM 1635 O GLU A 140 -4.360 3.381 -9.787 1.00 0.00 O ATOM 1636 CB GLU A 140 -4.651 5.901 -11.221 1.00 0.00 C ATOM 1637 CG GLU A 140 -4.411 7.170 -12.086 1.00 0.00 C ATOM 1638 CD GLU A 140 -3.362 7.077 -13.190 1.00 0.00 C ATOM 1639 OE1 GLU A 140 -2.496 6.178 -13.194 1.00 0.00 O ATOM 1640 OE2 GLU A 140 -3.416 7.914 -14.113 1.00 0.00 O ATOM 0 H GLU A 140 -2.112 5.479 -11.048 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.137 6.595 -9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.423 5.030 -11.835 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -5.714 5.855 -10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.359 7.450 -12.545 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.127 7.984 -11.419 1.00 0.00 H new ATOM 1647 N VAL A 141 -4.394 4.492 -7.818 1.00 0.00 N ATOM 1648 CA VAL A 141 -4.661 3.292 -6.967 1.00 0.00 C ATOM 1649 C VAL A 141 -6.210 3.129 -6.867 1.00 0.00 C ATOM 1650 O VAL A 141 -6.864 3.824 -6.082 1.00 0.00 O ATOM 1651 CB VAL A 141 -3.951 3.414 -5.570 1.00 0.00 C ATOM 1652 CG1 VAL A 141 -4.183 2.186 -4.655 1.00 0.00 C ATOM 1653 CG2 VAL A 141 -2.420 3.629 -5.669 1.00 0.00 C ATOM 0 H VAL A 141 -4.352 5.364 -7.291 1.00 0.00 H new ATOM 0 HA VAL A 141 -4.240 2.391 -7.413 1.00 0.00 H new ATOM 0 HB VAL A 141 -4.418 4.297 -5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -3.666 2.336 -3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -5.251 2.066 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -3.796 1.291 -5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -1.998 3.704 -4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -1.967 2.786 -6.191 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -2.216 4.548 -6.218 1.00 0.00 H new ATOM 1663 N THR A 142 -6.772 2.209 -7.672 1.00 0.00 N ATOM 1664 CA THR A 142 -8.242 1.989 -7.769 1.00 0.00 C ATOM 1665 C THR A 142 -8.573 0.625 -7.102 1.00 0.00 C ATOM 1666 O THR A 142 -8.059 -0.417 -7.516 1.00 0.00 O ATOM 1667 CB THR A 142 -8.711 2.060 -9.257 1.00 0.00 C ATOM 1668 OG1 THR A 142 -8.310 3.294 -9.845 1.00 0.00 O ATOM 1669 CG2 THR A 142 -10.235 1.941 -9.443 1.00 0.00 C ATOM 0 H THR A 142 -6.228 1.593 -8.276 1.00 0.00 H new ATOM 0 HA THR A 142 -8.785 2.774 -7.243 1.00 0.00 H new ATOM 0 HB THR A 142 -8.241 1.203 -9.740 1.00 0.00 H new ATOM 0 HG1 THR A 142 -9.074 3.907 -9.873 1.00 0.00 H new ATOM 0 HG21 THR A 142 -10.478 2.000 -10.504 1.00 0.00 H new ATOM 0 HG22 THR A 142 -10.577 0.986 -9.045 1.00 0.00 H new ATOM 0 HG23 THR A 142 -10.731 2.753 -8.912 1.00 0.00 H new ATOM 1677 N LEU A 143 -9.479 0.631 -6.105 1.00 0.00 N ATOM 1678 CA LEU A 143 -9.949 -0.611 -5.427 1.00 0.00 C ATOM 1679 C LEU A 143 -10.951 -1.359 -6.357 1.00 0.00 C ATOM 1680 O LEU A 143 -12.019 -0.827 -6.673 1.00 0.00 O ATOM 1681 CB LEU A 143 -10.601 -0.220 -4.061 1.00 0.00 C ATOM 1682 CG LEU A 143 -10.738 -1.278 -2.924 1.00 0.00 C ATOM 1683 CD1 LEU A 143 -11.518 -2.555 -3.284 1.00 0.00 C ATOM 1684 CD2 LEU A 143 -9.389 -1.658 -2.287 1.00 0.00 C ATOM 0 H LEU A 143 -9.907 1.483 -5.744 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.116 -1.285 -5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -10.029 0.615 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -11.602 0.154 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 143 -11.347 -0.748 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -11.550 -3.218 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -12.534 -2.290 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -11.023 -3.062 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -9.552 -2.398 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -8.732 -2.076 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -8.927 -0.770 -1.857 1.00 0.00 H new ATOM 1696 N LYS A 144 -10.608 -2.589 -6.781 1.00 0.00 N ATOM 1697 CA LYS A 144 -11.556 -3.475 -7.520 1.00 0.00 C ATOM 1698 C LYS A 144 -12.521 -4.257 -6.574 1.00 0.00 C ATOM 1699 O LYS A 144 -13.736 -4.047 -6.648 1.00 0.00 O ATOM 1700 CB LYS A 144 -10.810 -4.420 -8.505 1.00 0.00 C ATOM 1701 CG LYS A 144 -10.148 -3.751 -9.733 1.00 0.00 C ATOM 1702 CD LYS A 144 -10.230 -4.651 -10.987 1.00 0.00 C ATOM 1703 CE LYS A 144 -9.567 -4.013 -12.215 1.00 0.00 C ATOM 1704 NZ LYS A 144 -9.821 -4.861 -13.411 1.00 0.00 N ATOM 0 H LYS A 144 -9.687 -3.000 -6.630 1.00 0.00 H new ATOM 0 HA LYS A 144 -12.189 -2.818 -8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -10.038 -4.953 -7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -11.518 -5.167 -8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -10.637 -2.798 -9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -9.104 -3.532 -9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -9.751 -5.607 -10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -11.276 -4.861 -11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -9.963 -3.010 -12.376 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -8.495 -3.909 -12.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -9.651 -4.305 -14.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -9.182 -5.682 -13.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -10.808 -5.190 -13.400 1.00 0.00 H new ATOM 1718 N THR A 145 -11.984 -5.182 -5.753 1.00 0.00 N ATOM 1719 CA THR A 145 -12.794 -6.160 -4.973 1.00 0.00 C ATOM 1720 C THR A 145 -12.317 -6.161 -3.490 1.00 0.00 C ATOM 1721 O THR A 145 -11.125 -5.991 -3.207 1.00 0.00 O ATOM 1722 CB THR A 145 -12.723 -7.595 -5.592 1.00 0.00 C ATOM 1723 OG1 THR A 145 -11.413 -8.146 -5.481 1.00 0.00 O ATOM 1724 CG2 THR A 145 -13.163 -7.706 -7.068 1.00 0.00 C ATOM 0 H THR A 145 -10.979 -5.278 -5.607 1.00 0.00 H new ATOM 0 HA THR A 145 -13.840 -5.854 -5.011 1.00 0.00 H new ATOM 0 HB THR A 145 -13.445 -8.158 -5.000 1.00 0.00 H new ATOM 0 HG1 THR A 145 -11.401 -9.043 -5.875 1.00 0.00 H new ATOM 0 HG21 THR A 145 -13.075 -8.741 -7.397 1.00 0.00 H new ATOM 0 HG22 THR A 145 -14.199 -7.381 -7.164 1.00 0.00 H new ATOM 0 HG23 THR A 145 -12.526 -7.074 -7.686 1.00 0.00 H new ATOM 1732 N ALA A 146 -13.253 -6.404 -2.554 1.00 0.00 N ATOM 1733 CA ALA A 146 -12.917 -6.696 -1.136 1.00 0.00 C ATOM 1734 C ALA A 146 -13.557 -8.050 -0.750 1.00 0.00 C ATOM 1735 O ALA A 146 -14.782 -8.168 -0.628 1.00 0.00 O ATOM 1736 CB ALA A 146 -13.367 -5.550 -0.214 1.00 0.00 C ATOM 0 H ALA A 146 -14.254 -6.405 -2.749 1.00 0.00 H new ATOM 0 HA ALA A 146 -11.837 -6.773 -1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -13.109 -5.790 0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -12.866 -4.628 -0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -14.446 -5.419 -0.297 1.00 0.00 H new ATOM 1742 N VAL A 147 -12.697 -9.072 -0.606 1.00 0.00 N ATOM 1743 CA VAL A 147 -13.121 -10.492 -0.438 1.00 0.00 C ATOM 1744 C VAL A 147 -12.232 -11.175 0.644 1.00 0.00 C ATOM 1745 O VAL A 147 -11.036 -10.897 0.775 1.00 0.00 O ATOM 1746 CB VAL A 147 -13.131 -11.296 -1.789 1.00 0.00 C ATOM 1747 CG1 VAL A 147 -14.271 -10.861 -2.738 1.00 0.00 C ATOM 1748 CG2 VAL A 147 -11.790 -11.325 -2.564 1.00 0.00 C ATOM 0 H VAL A 147 -11.685 -8.948 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 147 -14.157 -10.495 -0.099 1.00 0.00 H new ATOM 0 HB VAL A 147 -13.309 -12.317 -1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -14.227 -11.451 -3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -15.232 -11.021 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -14.159 -9.804 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -11.911 -11.906 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -11.494 -10.307 -2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -11.020 -11.783 -1.942 1.00 0.00 H new ATOM 1758 N ASP A 148 -12.826 -12.123 1.391 1.00 0.00 N ATOM 1759 CA ASP A 148 -12.086 -12.993 2.346 1.00 0.00 C ATOM 1760 C ASP A 148 -11.176 -14.067 1.654 1.00 0.00 C ATOM 1761 O ASP A 148 -11.493 -14.605 0.585 1.00 0.00 O ATOM 1762 CB ASP A 148 -13.090 -13.569 3.382 1.00 0.00 C ATOM 1763 CG ASP A 148 -14.183 -14.511 2.870 1.00 0.00 C ATOM 1764 OD1 ASP A 148 -15.162 -14.021 2.266 1.00 0.00 O ATOM 1765 OD2 ASP A 148 -14.069 -15.736 3.085 1.00 0.00 O ATOM 0 H ASP A 148 -13.827 -12.313 1.356 1.00 0.00 H new ATOM 0 HA ASP A 148 -11.358 -12.384 2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.518 -14.101 4.142 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -13.577 -12.730 3.879 1.00 0.00 H new ATOM 1770 N GLY A 149 -10.019 -14.337 2.283 1.00 0.00 N ATOM 1771 CA GLY A 149 -8.980 -15.223 1.709 1.00 0.00 C ATOM 1772 C GLY A 149 -9.306 -16.742 1.788 1.00 0.00 C ATOM 1773 O GLY A 149 -9.460 -17.223 2.915 1.00 0.00 O ATOM 0 H GLY A 149 -9.775 -13.953 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -8.827 -14.952 0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -8.039 -15.040 2.227 1.00 0.00 H new