USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 494 hydrogens (19 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 NoAdj-H: A1148 2MR HXT : A1148 2MR OXT : A1148 2MR C :(short bond) USER MOD Set 1.1: A 127 TYR OH : rot -168:sc= 1.1 USER MOD Set 1.2: A 136 GLN : amide:sc= 0.0526 K(o=1.1,f=-1.7!) USER MOD Set 2.1: A 112 THR OG1 : rot 70:sc= -0.435 USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= 0.107 USER MOD Set 3.1: A 84 ASN : amide:sc= -0.175 K(o=2.1,f=3.2) USER MOD Set 3.2: A 85 THR OG1 : rot 180:sc= 1.02 USER MOD Set 3.3: A 88 SER OG : rot -120:sc= 1.22 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 164:sc= 1.24 (180deg=0.955) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -12:sc= 0.887 USER MOD Single : A 99 SER OG : rot 100:sc= 0.902 USER MOD Single : A 103 SER OG : rot 143:sc= 0.955 USER MOD Single : A 107 CYS SG : rot 55:sc= 0.0542 USER MOD Single : A 109 TYR OH : rot 51:sc= 1.2 USER MOD Single : A 115 SER OG : rot -17:sc= 0.7 USER MOD Single : A 119 LYS NZ :NH3+ 166:sc= -0.0247 (180deg=-0.268) USER MOD Single : A 122 THR OG1 : rot 151:sc= 0.706 USER MOD Single : A 123 CYS SG : rot -16:sc= -4.52! USER MOD Single : A 130 TYR OH : rot -121:sc= 0.185 USER MOD Single : A 132 ASN : amide:sc= -2.32! X(o=-2.3!,f=-2.2) USER MOD Single : A 137 ASN : amide:sc=-0.00233 X(o=-0.0023,f=-0.11) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot -46:sc= -0.151 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -9.172 -13.342 3.867 1.00 0.00 N ATOM 2 CA ASN A 84 -9.926 -14.579 3.621 1.00 0.00 C ATOM 3 C ASN A 84 -10.181 -14.789 2.127 1.00 0.00 C ATOM 4 O ASN A 84 -10.409 -15.911 1.687 1.00 0.00 O ATOM 5 CB ASN A 84 -11.272 -14.578 4.372 1.00 0.00 C ATOM 6 CG ASN A 84 -12.218 -13.465 3.926 1.00 0.00 C ATOM 7 OD1 ASN A 84 -11.787 -12.386 3.522 1.00 0.00 O ATOM 8 ND2 ASN A 84 -13.498 -13.721 3.982 1.00 0.00 N ATOM 0 HA ASN A 84 -9.313 -15.399 3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.762 -15.541 4.225 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.083 -14.477 5.441 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.173 -13.016 3.686 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.823 -14.626 4.322 1.00 0.00 H new ATOM 17 N THR A 85 -10.147 -13.727 1.348 1.00 0.00 N ATOM 18 CA THR A 85 -10.379 -13.821 -0.069 1.00 0.00 C ATOM 19 C THR A 85 -9.281 -13.089 -0.824 1.00 0.00 C ATOM 20 O THR A 85 -8.606 -12.228 -0.263 1.00 0.00 O ATOM 21 CB THR A 85 -11.756 -13.217 -0.422 1.00 0.00 C ATOM 22 OG1 THR A 85 -11.921 -11.984 0.286 1.00 0.00 O ATOM 23 CG2 THR A 85 -12.890 -14.168 -0.072 1.00 0.00 C ATOM 0 H THR A 85 -9.958 -12.782 1.682 1.00 0.00 H new ATOM 0 HA THR A 85 -10.370 -14.871 -0.360 1.00 0.00 H new ATOM 0 HB THR A 85 -11.791 -13.042 -1.497 1.00 0.00 H new ATOM 0 HG1 THR A 85 -12.793 -11.594 0.065 1.00 0.00 H new ATOM 0 HG21 THR A 85 -13.843 -13.709 -0.334 1.00 0.00 H new ATOM 0 HG22 THR A 85 -12.770 -15.098 -0.628 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.871 -14.379 0.997 1.00 0.00 H new ATOM 31 N ALA A 86 -9.088 -13.439 -2.064 1.00 0.00 N ATOM 32 CA ALA A 86 -8.088 -12.789 -2.880 1.00 0.00 C ATOM 33 C ALA A 86 -8.721 -11.641 -3.654 1.00 0.00 C ATOM 34 O ALA A 86 -8.083 -10.627 -3.934 1.00 0.00 O ATOM 35 CB ALA A 86 -7.463 -13.789 -3.830 1.00 0.00 C ATOM 0 H ALA A 86 -9.611 -14.175 -2.539 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.305 -12.388 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.711 -13.290 -4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.993 -14.590 -3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.234 -14.209 -4.476 1.00 0.00 H new ATOM 41 N ALA A 87 -10.007 -11.783 -3.924 1.00 0.00 N ATOM 42 CA ALA A 87 -10.768 -10.826 -4.721 1.00 0.00 C ATOM 43 C ALA A 87 -11.348 -9.697 -3.867 1.00 0.00 C ATOM 44 O ALA A 87 -12.309 -9.037 -4.249 1.00 0.00 O ATOM 45 CB ALA A 87 -11.871 -11.551 -5.445 1.00 0.00 C ATOM 0 H ALA A 87 -10.562 -12.573 -3.594 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.088 -10.366 -5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.443 -10.841 -6.042 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.440 -12.310 -6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.530 -12.028 -4.720 1.00 0.00 H new ATOM 51 N SER A 88 -10.763 -9.479 -2.736 1.00 0.00 N ATOM 52 CA SER A 88 -11.145 -8.394 -1.855 1.00 0.00 C ATOM 53 C SER A 88 -10.052 -7.330 -1.870 1.00 0.00 C ATOM 54 O SER A 88 -9.887 -6.557 -0.931 1.00 0.00 O ATOM 55 CB SER A 88 -11.358 -8.950 -0.455 1.00 0.00 C ATOM 56 OG SER A 88 -10.299 -9.834 -0.097 1.00 0.00 O ATOM 0 H SER A 88 -9.995 -10.049 -2.381 1.00 0.00 H new ATOM 0 HA SER A 88 -12.074 -7.933 -2.189 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.413 -8.131 0.262 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.310 -9.478 -0.409 1.00 0.00 H new ATOM 0 HG SER A 88 -10.666 -10.722 0.098 1.00 0.00 H new ATOM 62 N LEU A 89 -9.395 -7.230 -3.005 1.00 0.00 N ATOM 63 CA LEU A 89 -8.219 -6.402 -3.173 1.00 0.00 C ATOM 64 C LEU A 89 -8.525 -4.912 -3.264 1.00 0.00 C ATOM 65 O LEU A 89 -7.631 -4.100 -3.412 1.00 0.00 O ATOM 66 CB LEU A 89 -7.412 -6.891 -4.368 1.00 0.00 C ATOM 67 CG LEU A 89 -5.985 -7.339 -4.057 1.00 0.00 C ATOM 68 CD1 LEU A 89 -5.374 -8.014 -5.252 1.00 0.00 C ATOM 69 CD2 LEU A 89 -5.144 -6.152 -3.662 1.00 0.00 C ATOM 0 H LEU A 89 -9.667 -7.730 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.620 -6.507 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.944 -7.724 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.371 -6.092 -5.108 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.019 -8.048 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.358 -8.327 -5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.969 -8.887 -5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.352 -7.318 -6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.129 -6.482 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.122 -5.433 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.572 -5.681 -2.777 1.00 0.00 H new ATOM 81 N GLN A 90 -9.764 -4.563 -3.151 1.00 0.00 N ATOM 82 CA GLN A 90 -10.131 -3.161 -3.177 1.00 0.00 C ATOM 83 C GLN A 90 -10.605 -2.704 -1.810 1.00 0.00 C ATOM 84 O GLN A 90 -10.935 -1.535 -1.615 1.00 0.00 O ATOM 85 CB GLN A 90 -11.183 -2.849 -4.245 1.00 0.00 C ATOM 86 CG GLN A 90 -12.539 -3.503 -4.036 1.00 0.00 C ATOM 87 CD GLN A 90 -13.531 -3.150 -5.134 1.00 0.00 C ATOM 88 OE1 GLN A 90 -13.154 -2.921 -6.282 1.00 0.00 O ATOM 89 NE2 GLN A 90 -14.791 -3.093 -4.793 1.00 0.00 N ATOM 0 H GLN A 90 -10.543 -5.212 -3.040 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.233 -2.604 -3.444 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.323 -1.769 -4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.795 -3.160 -5.215 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.415 -4.585 -3.997 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.943 -3.194 -3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -15.068 -3.289 -3.831 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -15.497 -2.852 -5.489 1.00 0.00 H new ATOM 98 N GLN A 91 -10.633 -3.620 -0.867 1.00 0.00 N ATOM 99 CA GLN A 91 -11.068 -3.292 0.466 1.00 0.00 C ATOM 100 C GLN A 91 -9.960 -3.566 1.474 1.00 0.00 C ATOM 101 O GLN A 91 -9.511 -4.709 1.664 1.00 0.00 O ATOM 102 CB GLN A 91 -12.388 -3.990 0.848 1.00 0.00 C ATOM 103 CG GLN A 91 -12.344 -5.500 0.811 1.00 0.00 C ATOM 104 CD GLN A 91 -13.633 -6.129 1.264 1.00 0.00 C ATOM 105 OE1 GLN A 91 -13.823 -6.396 2.452 1.00 0.00 O ATOM 106 NE2 GLN A 91 -14.511 -6.387 0.343 1.00 0.00 N ATOM 0 H GLN A 91 -10.360 -4.594 -1.001 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.283 -2.224 0.486 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.672 -3.674 1.852 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -13.172 -3.647 0.172 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.121 -5.828 -0.204 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.530 -5.851 1.445 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -14.315 -6.150 -0.629 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.397 -6.827 0.592 1.00 0.00 H new ATOM 115 N TRP A 92 -9.501 -2.518 2.076 1.00 0.00 N ATOM 116 CA TRP A 92 -8.429 -2.562 3.040 1.00 0.00 C ATOM 117 C TRP A 92 -8.828 -1.751 4.259 1.00 0.00 C ATOM 118 O TRP A 92 -9.779 -0.973 4.188 1.00 0.00 O ATOM 119 CB TRP A 92 -7.166 -1.974 2.434 1.00 0.00 C ATOM 120 CG TRP A 92 -6.634 -2.714 1.245 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.995 -2.547 -0.061 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.624 -3.723 1.255 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.275 -3.394 -0.859 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.422 -4.126 -0.074 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.871 -4.324 2.261 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.495 -5.100 -0.418 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.955 -5.285 1.911 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.774 -5.663 0.584 1.00 0.00 C ATOM 0 H TRP A 92 -9.865 -1.579 1.913 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.239 -3.596 3.327 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.366 -0.943 2.142 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.392 -1.944 3.201 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.740 -1.849 -0.413 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.359 -3.469 -1.873 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.005 -4.040 3.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.353 -5.399 -1.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.363 -5.757 2.681 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.043 -6.422 0.346 1.00 0.00 H new ATOM 139 N LYS A 93 -8.138 -1.926 5.371 1.00 0.00 N ATOM 140 CA LYS A 93 -8.453 -1.149 6.556 1.00 0.00 C ATOM 141 C LYS A 93 -7.187 -0.508 7.101 1.00 0.00 C ATOM 142 O LYS A 93 -6.078 -0.964 6.814 1.00 0.00 O ATOM 143 CB LYS A 93 -9.102 -2.007 7.643 1.00 0.00 C ATOM 144 CG LYS A 93 -8.139 -2.926 8.351 1.00 0.00 C ATOM 145 CD LYS A 93 -8.856 -3.754 9.400 1.00 0.00 C ATOM 146 CE LYS A 93 -7.893 -4.592 10.227 1.00 0.00 C ATOM 147 NZ LYS A 93 -7.292 -5.707 9.470 1.00 0.00 N ATOM 0 H LYS A 93 -7.369 -2.587 5.479 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.168 -0.378 6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.571 -1.352 8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -9.896 -2.604 7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.659 -3.585 7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.349 -2.340 8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.419 -3.093 10.060 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.578 -4.409 8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.098 -3.950 10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.421 -4.992 11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.462 -6.067 9.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.991 -6.470 9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.999 -5.371 8.531 1.00 0.00 H new ATOM 161 N VAL A 94 -7.350 0.546 7.852 1.00 0.00 N ATOM 162 CA VAL A 94 -6.238 1.215 8.485 1.00 0.00 C ATOM 163 C VAL A 94 -5.593 0.275 9.503 1.00 0.00 C ATOM 164 O VAL A 94 -6.282 -0.311 10.344 1.00 0.00 O ATOM 165 CB VAL A 94 -6.684 2.534 9.172 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.532 3.187 9.903 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.276 3.498 8.155 1.00 0.00 C ATOM 0 H VAL A 94 -8.258 0.969 8.045 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.510 1.477 7.717 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.452 2.283 9.903 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.875 4.108 10.374 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.154 2.508 10.667 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.735 3.416 9.195 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.582 4.415 8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.528 3.732 7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.143 3.039 7.680 1.00 0.00 H new ATOM 177 N GLY A 95 -4.297 0.106 9.403 1.00 0.00 N ATOM 178 CA GLY A 95 -3.597 -0.757 10.316 1.00 0.00 C ATOM 179 C GLY A 95 -3.363 -2.127 9.729 1.00 0.00 C ATOM 180 O GLY A 95 -2.896 -3.044 10.421 1.00 0.00 O ATOM 0 H GLY A 95 -3.709 0.554 8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.640 -0.307 10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.170 -0.850 11.239 1.00 0.00 H new ATOM 184 N ASP A 96 -3.693 -2.282 8.464 1.00 0.00 N ATOM 185 CA ASP A 96 -3.497 -3.553 7.785 1.00 0.00 C ATOM 186 C ASP A 96 -2.231 -3.473 6.985 1.00 0.00 C ATOM 187 O ASP A 96 -1.886 -2.404 6.465 1.00 0.00 O ATOM 188 CB ASP A 96 -4.614 -3.836 6.807 1.00 0.00 C ATOM 189 CG ASP A 96 -5.133 -5.246 6.874 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.354 -6.200 6.749 1.00 0.00 O ATOM 191 OD2 ASP A 96 -6.349 -5.427 7.030 1.00 0.00 O ATOM 0 H ASP A 96 -4.098 -1.548 7.883 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.466 -4.337 8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.436 -3.146 6.998 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.259 -3.636 5.796 1.00 0.00 H new ATOM 196 N LYS A 97 -1.532 -4.548 6.915 1.00 0.00 N ATOM 197 CA LYS A 97 -0.349 -4.641 6.139 1.00 0.00 C ATOM 198 C LYS A 97 -0.649 -4.997 4.716 1.00 0.00 C ATOM 199 O LYS A 97 -1.647 -5.660 4.412 1.00 0.00 O ATOM 200 CB LYS A 97 0.541 -5.642 6.765 1.00 0.00 C ATOM 201 CG LYS A 97 0.968 -5.185 8.106 1.00 0.00 C ATOM 202 CD LYS A 97 1.627 -6.263 8.855 1.00 0.00 C ATOM 203 CE LYS A 97 2.352 -5.694 10.050 1.00 0.00 C ATOM 204 NZ LYS A 97 2.928 -6.744 10.919 1.00 0.00 N ATOM 0 H LYS A 97 -1.773 -5.408 7.408 1.00 0.00 H new ATOM 0 HA LYS A 97 0.146 -3.670 6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.023 -6.598 6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.415 -5.806 6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.650 -4.341 8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.102 -4.829 8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.888 -6.994 9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.330 -6.788 8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.149 -5.034 9.707 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.662 -5.084 10.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.414 -6.300 11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.167 -7.359 11.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.608 -7.311 10.374 1.00 0.00 H new ATOM 218 N CYS A 98 0.221 -4.581 3.866 1.00 0.00 N ATOM 219 CA CYS A 98 0.074 -4.747 2.459 1.00 0.00 C ATOM 220 C CYS A 98 1.426 -4.566 1.799 1.00 0.00 C ATOM 221 O CYS A 98 2.461 -4.485 2.473 1.00 0.00 O ATOM 222 CB CYS A 98 -0.914 -3.689 1.930 1.00 0.00 C ATOM 223 SG CYS A 98 -0.417 -1.992 2.280 1.00 0.00 S ATOM 0 H CYS A 98 1.080 -4.102 4.135 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.308 -5.742 2.233 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.021 -3.812 0.852 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.895 -3.869 2.370 1.00 0.00 H new ATOM 0 HG CYS A 98 0.555 -1.994 3.144 1.00 0.00 H new ATOM 229 N SER A 99 1.410 -4.510 0.528 1.00 0.00 N ATOM 230 CA SER A 99 2.561 -4.244 -0.257 1.00 0.00 C ATOM 231 C SER A 99 2.224 -3.100 -1.184 1.00 0.00 C ATOM 232 O SER A 99 1.067 -2.973 -1.618 1.00 0.00 O ATOM 233 CB SER A 99 2.946 -5.487 -1.044 1.00 0.00 C ATOM 234 OG SER A 99 3.346 -6.535 -0.183 1.00 0.00 O ATOM 0 H SER A 99 0.564 -4.653 -0.024 1.00 0.00 H new ATOM 0 HA SER A 99 3.410 -3.975 0.371 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.101 -5.813 -1.650 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.757 -5.248 -1.732 1.00 0.00 H new ATOM 0 HG SER A 99 2.603 -7.163 -0.065 1.00 0.00 H new ATOM 240 N ALA A 100 3.173 -2.257 -1.445 1.00 0.00 N ATOM 241 CA ALA A 100 2.950 -1.130 -2.299 1.00 0.00 C ATOM 242 C ALA A 100 4.112 -0.956 -3.240 1.00 0.00 C ATOM 243 O ALA A 100 5.208 -1.496 -3.002 1.00 0.00 O ATOM 244 CB ALA A 100 2.737 0.125 -1.471 1.00 0.00 C ATOM 0 H ALA A 100 4.121 -2.329 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 100 2.051 -1.307 -2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.569 0.974 -2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.870 -0.008 -0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.620 0.312 -0.859 1.00 0.00 H new ATOM 250 N ILE A 101 3.876 -0.251 -4.309 1.00 0.00 N ATOM 251 CA ILE A 101 4.893 0.042 -5.278 1.00 0.00 C ATOM 252 C ILE A 101 5.489 1.366 -4.954 1.00 0.00 C ATOM 253 O ILE A 101 4.823 2.408 -5.066 1.00 0.00 O ATOM 254 CB ILE A 101 4.331 0.047 -6.724 1.00 0.00 C ATOM 255 CG1 ILE A 101 4.016 -1.372 -7.183 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.270 0.746 -7.718 1.00 0.00 C ATOM 257 CD1 ILE A 101 5.224 -2.216 -7.506 1.00 0.00 C ATOM 0 H ILE A 101 2.962 0.141 -4.535 1.00 0.00 H new ATOM 0 HA ILE A 101 5.652 -0.739 -5.234 1.00 0.00 H new ATOM 0 HB ILE A 101 3.407 0.624 -6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.440 -1.871 -6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.380 -1.320 -8.067 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.829 0.721 -8.714 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.418 1.782 -7.412 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.231 0.232 -7.734 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.901 -3.208 -7.823 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.792 -1.746 -8.308 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.853 -2.305 -6.620 1.00 0.00 H new ATOM 269 N TRP A 102 6.714 1.333 -4.541 1.00 0.00 N ATOM 270 CA TRP A 102 7.411 2.523 -4.186 1.00 0.00 C ATOM 271 C TRP A 102 7.649 3.301 -5.416 1.00 0.00 C ATOM 272 O TRP A 102 8.284 2.816 -6.326 1.00 0.00 O ATOM 273 CB TRP A 102 8.732 2.198 -3.550 1.00 0.00 C ATOM 274 CG TRP A 102 9.326 3.344 -2.805 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.657 4.334 -2.149 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.701 3.604 -2.619 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.547 5.173 -1.551 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.808 4.746 -1.824 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.852 2.985 -3.041 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.031 5.267 -1.446 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.054 3.516 -2.671 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.128 4.648 -1.878 1.00 0.00 C ATOM 0 H TRP A 102 7.260 0.477 -4.440 1.00 0.00 H new ATOM 0 HA TRP A 102 6.814 3.091 -3.472 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.602 1.358 -2.867 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.430 1.875 -4.323 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.583 4.437 -2.110 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.306 5.990 -0.989 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.807 2.096 -3.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.095 6.146 -0.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.966 3.043 -3.004 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.097 5.038 -1.603 1.00 0.00 H new ATOM 293 N SER A 103 7.190 4.498 -5.421 1.00 0.00 N ATOM 294 CA SER A 103 7.285 5.369 -6.550 1.00 0.00 C ATOM 295 C SER A 103 8.714 5.701 -6.921 1.00 0.00 C ATOM 296 O SER A 103 9.001 6.116 -8.034 1.00 0.00 O ATOM 297 CB SER A 103 6.572 6.605 -6.199 1.00 0.00 C ATOM 298 OG SER A 103 5.203 6.352 -6.000 1.00 0.00 O ATOM 0 H SER A 103 6.722 4.919 -4.618 1.00 0.00 H new ATOM 0 HA SER A 103 6.851 4.870 -7.417 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.002 7.034 -5.294 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.699 7.341 -6.993 1.00 0.00 H new ATOM 0 HG SER A 103 4.871 6.909 -5.265 1.00 0.00 H new ATOM 304 N GLU A 104 9.595 5.497 -6.004 1.00 0.00 N ATOM 305 CA GLU A 104 10.961 5.845 -6.212 1.00 0.00 C ATOM 306 C GLU A 104 11.726 4.764 -6.967 1.00 0.00 C ATOM 307 O GLU A 104 12.520 5.075 -7.854 1.00 0.00 O ATOM 308 CB GLU A 104 11.619 6.195 -4.909 1.00 0.00 C ATOM 309 CG GLU A 104 10.872 7.293 -4.165 1.00 0.00 C ATOM 310 CD GLU A 104 11.704 8.042 -3.159 1.00 0.00 C ATOM 311 OE1 GLU A 104 12.816 8.458 -3.494 1.00 0.00 O ATOM 312 OE2 GLU A 104 11.228 8.287 -2.033 1.00 0.00 O ATOM 0 H GLU A 104 9.392 5.086 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 104 10.984 6.729 -6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.674 5.306 -4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.643 6.517 -5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.477 8.003 -4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.017 6.851 -3.654 1.00 0.00 H new ATOM 319 N ASP A 105 11.497 3.499 -6.639 1.00 0.00 N ATOM 320 CA ASP A 105 12.198 2.420 -7.391 1.00 0.00 C ATOM 321 C ASP A 105 11.260 1.704 -8.329 1.00 0.00 C ATOM 322 O ASP A 105 11.690 1.000 -9.232 1.00 0.00 O ATOM 323 CB ASP A 105 12.844 1.350 -6.477 1.00 0.00 C ATOM 324 CG ASP A 105 14.054 1.810 -5.703 1.00 0.00 C ATOM 325 OD1 ASP A 105 14.909 2.531 -6.268 1.00 0.00 O ATOM 326 OD2 ASP A 105 14.197 1.418 -4.524 1.00 0.00 O ATOM 0 H ASP A 105 10.868 3.186 -5.899 1.00 0.00 H new ATOM 0 HA ASP A 105 12.985 2.935 -7.942 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.093 0.998 -5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.129 0.495 -7.091 1.00 0.00 H new ATOM 331 N GLY A 106 9.980 1.881 -8.112 1.00 0.00 N ATOM 332 CA GLY A 106 8.964 1.219 -8.932 1.00 0.00 C ATOM 333 C GLY A 106 8.749 -0.231 -8.503 1.00 0.00 C ATOM 334 O GLY A 106 7.957 -0.964 -9.100 1.00 0.00 O ATOM 0 H GLY A 106 9.604 2.478 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.023 1.764 -8.856 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.266 1.248 -9.979 1.00 0.00 H new ATOM 338 N CYS A 107 9.477 -0.627 -7.491 1.00 0.00 N ATOM 339 CA CYS A 107 9.487 -1.947 -6.964 1.00 0.00 C ATOM 340 C CYS A 107 8.460 -2.138 -5.844 1.00 0.00 C ATOM 341 O CYS A 107 7.959 -1.159 -5.276 1.00 0.00 O ATOM 342 CB CYS A 107 10.877 -2.197 -6.474 1.00 0.00 C ATOM 343 SG CYS A 107 12.142 -2.143 -7.755 1.00 0.00 S ATOM 0 H CYS A 107 10.107 0.003 -6.994 1.00 0.00 H new ATOM 0 HA CYS A 107 9.204 -2.662 -7.737 1.00 0.00 H new ATOM 0 HB2 CYS A 107 11.118 -1.457 -5.711 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.908 -3.174 -5.991 1.00 0.00 H new ATOM 0 HG CYS A 107 12.073 -1.008 -8.385 1.00 0.00 H new ATOM 349 N ILE A 108 8.176 -3.393 -5.514 1.00 0.00 N ATOM 350 CA ILE A 108 7.218 -3.732 -4.470 1.00 0.00 C ATOM 351 C ILE A 108 7.920 -3.807 -3.137 1.00 0.00 C ATOM 352 O ILE A 108 8.971 -4.440 -3.015 1.00 0.00 O ATOM 353 CB ILE A 108 6.564 -5.106 -4.702 1.00 0.00 C ATOM 354 CG1 ILE A 108 6.068 -5.231 -6.132 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.423 -5.301 -3.709 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.346 -6.535 -6.436 1.00 0.00 C ATOM 0 H ILE A 108 8.604 -4.203 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 108 6.454 -2.955 -4.488 1.00 0.00 H new ATOM 0 HB ILE A 108 7.308 -5.887 -4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.396 -4.400 -6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.918 -5.134 -6.808 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.960 -6.274 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.813 -5.252 -2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.679 -4.517 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.026 -6.540 -7.478 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.020 -7.374 -6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.474 -6.628 -5.789 1.00 0.00 H new ATOM 368 N TYR A 109 7.363 -3.183 -2.163 1.00 0.00 N ATOM 369 CA TYR A 109 7.897 -3.200 -0.833 1.00 0.00 C ATOM 370 C TYR A 109 6.758 -3.327 0.169 1.00 0.00 C ATOM 371 O TYR A 109 5.623 -2.920 -0.134 1.00 0.00 O ATOM 372 CB TYR A 109 8.677 -1.930 -0.557 1.00 0.00 C ATOM 373 CG TYR A 109 9.945 -1.728 -1.374 1.00 0.00 C ATOM 374 CD1 TYR A 109 9.909 -1.098 -2.609 1.00 0.00 C ATOM 375 CD2 TYR A 109 11.180 -2.106 -0.870 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.064 -0.855 -3.319 1.00 0.00 C ATOM 377 CE2 TYR A 109 12.345 -1.857 -1.571 1.00 0.00 C ATOM 378 CZ TYR A 109 12.283 -1.227 -2.793 1.00 0.00 C ATOM 379 OH TYR A 109 13.451 -0.973 -3.490 1.00 0.00 O ATOM 0 H TYR A 109 6.509 -2.634 -2.260 1.00 0.00 H new ATOM 0 HA TYR A 109 8.571 -4.051 -0.736 1.00 0.00 H new ATOM 0 HB2 TYR A 109 8.018 -1.079 -0.731 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.944 -1.915 0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.959 -0.793 -3.021 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.233 -2.604 0.087 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.015 -0.374 -4.285 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.299 -2.155 -1.162 1.00 0.00 H new ATOM 0 HH TYR A 109 13.476 -0.030 -3.754 1.00 0.00 H new ATOM 389 N PRO A 110 7.025 -3.909 1.352 1.00 0.00 N ATOM 390 CA PRO A 110 6.011 -4.080 2.395 1.00 0.00 C ATOM 391 C PRO A 110 5.631 -2.741 3.019 1.00 0.00 C ATOM 392 O PRO A 110 6.499 -1.918 3.354 1.00 0.00 O ATOM 393 CB PRO A 110 6.716 -4.953 3.433 1.00 0.00 C ATOM 394 CG PRO A 110 8.161 -4.652 3.251 1.00 0.00 C ATOM 395 CD PRO A 110 8.343 -4.432 1.781 1.00 0.00 C ATOM 0 HA PRO A 110 5.087 -4.513 2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.385 -4.714 4.444 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.507 -6.010 3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.452 -3.768 3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.781 -5.476 3.604 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.144 -3.722 1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.597 -5.357 1.264 1.00 0.00 H new ATOM 403 N ALA A 111 4.369 -2.523 3.185 1.00 0.00 N ATOM 404 CA ALA A 111 3.892 -1.298 3.734 1.00 0.00 C ATOM 405 C ALA A 111 2.656 -1.542 4.550 1.00 0.00 C ATOM 406 O ALA A 111 1.933 -2.491 4.317 1.00 0.00 O ATOM 407 CB ALA A 111 3.608 -0.305 2.629 1.00 0.00 C ATOM 0 H ALA A 111 3.637 -3.191 2.943 1.00 0.00 H new ATOM 0 HA ALA A 111 4.661 -0.882 4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.244 0.627 3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.523 -0.112 2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.852 -0.713 1.958 1.00 0.00 H new ATOM 413 N THR A 112 2.411 -0.710 5.494 1.00 0.00 N ATOM 414 CA THR A 112 1.245 -0.852 6.307 1.00 0.00 C ATOM 415 C THR A 112 0.388 0.389 6.160 1.00 0.00 C ATOM 416 O THR A 112 0.903 1.506 6.175 1.00 0.00 O ATOM 417 CB THR A 112 1.624 -1.078 7.782 1.00 0.00 C ATOM 418 OG1 THR A 112 2.533 -2.196 7.870 1.00 0.00 O ATOM 419 CG2 THR A 112 0.383 -1.385 8.616 1.00 0.00 C ATOM 0 H THR A 112 3.004 0.086 5.730 1.00 0.00 H new ATOM 0 HA THR A 112 0.683 -1.725 5.977 1.00 0.00 H new ATOM 0 HB THR A 112 2.093 -0.172 8.165 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.397 -1.947 7.480 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.673 -1.541 9.655 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.312 -0.548 8.555 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.099 -2.285 8.234 1.00 0.00 H new ATOM 427 N ILE A 113 -0.888 0.187 6.004 1.00 0.00 N ATOM 428 CA ILE A 113 -1.844 1.251 5.812 1.00 0.00 C ATOM 429 C ILE A 113 -1.915 2.136 7.044 1.00 0.00 C ATOM 430 O ILE A 113 -2.167 1.659 8.156 1.00 0.00 O ATOM 431 CB ILE A 113 -3.223 0.661 5.515 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.112 -0.282 4.322 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.222 1.775 5.220 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.305 -1.156 4.137 1.00 0.00 C ATOM 0 H ILE A 113 -1.308 -0.743 6.006 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.522 1.860 4.967 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.578 0.107 6.384 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.960 0.307 3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.229 -0.909 4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.200 1.341 5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.296 2.435 6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.885 2.346 4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.154 -1.799 3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.446 -1.772 5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.189 -0.537 3.980 1.00 0.00 H new ATOM 446 N ALA A 114 -1.666 3.395 6.847 1.00 0.00 N ATOM 447 CA ALA A 114 -1.667 4.367 7.903 1.00 0.00 C ATOM 448 C ALA A 114 -2.997 5.086 7.971 1.00 0.00 C ATOM 449 O ALA A 114 -3.490 5.381 9.052 1.00 0.00 O ATOM 450 CB ALA A 114 -0.543 5.358 7.695 1.00 0.00 C ATOM 0 H ALA A 114 -1.452 3.786 5.929 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.513 3.849 8.850 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.551 6.092 8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.411 4.831 7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.678 5.866 6.740 1.00 0.00 H new ATOM 456 N SER A 115 -3.572 5.383 6.820 1.00 0.00 N ATOM 457 CA SER A 115 -4.859 6.063 6.734 1.00 0.00 C ATOM 458 C SER A 115 -5.473 5.780 5.367 1.00 0.00 C ATOM 459 O SER A 115 -4.741 5.569 4.415 1.00 0.00 O ATOM 460 CB SER A 115 -4.673 7.583 6.928 1.00 0.00 C ATOM 461 OG SER A 115 -4.070 7.866 8.189 1.00 0.00 O ATOM 0 H SER A 115 -3.161 5.160 5.913 1.00 0.00 H new ATOM 0 HA SER A 115 -5.521 5.696 7.518 1.00 0.00 H new ATOM 0 HB2 SER A 115 -4.052 7.983 6.126 1.00 0.00 H new ATOM 0 HB3 SER A 115 -5.639 8.083 6.862 1.00 0.00 H new ATOM 0 HG SER A 115 -4.154 7.085 8.774 1.00 0.00 H new ATOM 467 N ILE A 116 -6.787 5.749 5.283 1.00 0.00 N ATOM 468 CA ILE A 116 -7.494 5.492 4.040 1.00 0.00 C ATOM 469 C ILE A 116 -8.443 6.632 3.745 1.00 0.00 C ATOM 470 O ILE A 116 -9.209 7.059 4.618 1.00 0.00 O ATOM 471 CB ILE A 116 -8.327 4.185 4.110 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.441 3.000 4.445 1.00 0.00 C ATOM 473 CG2 ILE A 116 -9.071 3.934 2.793 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.189 1.714 4.573 1.00 0.00 C ATOM 0 H ILE A 116 -7.402 5.903 6.082 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.742 5.394 3.257 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.065 4.304 4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.682 2.894 3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.917 3.201 5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.647 3.012 2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.745 4.767 2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.351 3.845 1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.493 0.910 4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -8.930 1.802 5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.691 1.490 3.632 1.00 0.00 H new ATOM 486 N ASP A 117 -8.403 7.097 2.541 1.00 0.00 N ATOM 487 CA ASP A 117 -9.279 8.128 2.082 1.00 0.00 C ATOM 488 C ASP A 117 -10.263 7.478 1.146 1.00 0.00 C ATOM 489 O ASP A 117 -9.923 7.126 0.022 1.00 0.00 O ATOM 490 CB ASP A 117 -8.500 9.214 1.348 1.00 0.00 C ATOM 491 CG ASP A 117 -9.356 10.407 0.987 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.148 10.334 0.045 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.230 11.459 1.654 1.00 0.00 O ATOM 0 H ASP A 117 -7.748 6.766 1.833 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.785 8.602 2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.670 9.544 1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.068 8.794 0.439 1.00 0.00 H new ATOM 498 N PHE A 118 -11.466 7.275 1.613 1.00 0.00 N ATOM 499 CA PHE A 118 -12.477 6.571 0.830 1.00 0.00 C ATOM 500 C PHE A 118 -13.027 7.432 -0.283 1.00 0.00 C ATOM 501 O PHE A 118 -13.675 6.938 -1.203 1.00 0.00 O ATOM 502 CB PHE A 118 -13.609 6.058 1.717 1.00 0.00 C ATOM 503 CG PHE A 118 -13.216 4.922 2.624 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.531 5.154 3.802 1.00 0.00 C ATOM 505 CD2 PHE A 118 -13.539 3.618 2.294 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.178 4.112 4.627 1.00 0.00 C ATOM 507 CE2 PHE A 118 -13.189 2.571 3.118 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.506 2.818 4.288 1.00 0.00 C ATOM 0 H PHE A 118 -11.782 7.583 2.533 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.983 5.713 0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.981 6.882 2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.434 5.733 1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.270 6.165 4.078 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -14.073 3.418 1.377 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.642 4.309 5.544 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.450 1.559 2.847 1.00 0.00 H new ATOM 0 HZ PHE A 118 -12.229 2.000 4.937 1.00 0.00 H new ATOM 518 N LYS A 119 -12.764 8.708 -0.199 1.00 0.00 N ATOM 519 CA LYS A 119 -13.215 9.635 -1.194 1.00 0.00 C ATOM 520 C LYS A 119 -12.387 9.489 -2.464 1.00 0.00 C ATOM 521 O LYS A 119 -12.924 9.474 -3.561 1.00 0.00 O ATOM 522 CB LYS A 119 -13.142 11.052 -0.644 1.00 0.00 C ATOM 523 CG LYS A 119 -13.983 11.234 0.603 1.00 0.00 C ATOM 524 CD LYS A 119 -13.812 12.608 1.201 1.00 0.00 C ATOM 525 CE LYS A 119 -14.691 12.783 2.425 1.00 0.00 C ATOM 526 NZ LYS A 119 -14.389 11.792 3.482 1.00 0.00 N ATOM 0 H LYS A 119 -12.232 9.131 0.561 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.253 9.419 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.104 11.297 -0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.476 11.753 -1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.033 11.072 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -13.707 10.480 1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.768 12.762 1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.062 13.365 0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -14.557 13.788 2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -15.737 12.692 2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.834 12.089 4.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.761 10.862 3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.359 11.728 3.614 1.00 0.00 H new ATOM 540 N ARG A 120 -11.086 9.313 -2.310 1.00 0.00 N ATOM 541 CA ARG A 120 -10.214 9.137 -3.469 1.00 0.00 C ATOM 542 C ARG A 120 -9.969 7.665 -3.711 1.00 0.00 C ATOM 543 O ARG A 120 -9.421 7.282 -4.748 1.00 0.00 O ATOM 544 CB ARG A 120 -8.860 9.801 -3.222 1.00 0.00 C ATOM 545 CG ARG A 120 -8.930 11.249 -2.810 1.00 0.00 C ATOM 546 CD ARG A 120 -9.570 12.111 -3.868 1.00 0.00 C ATOM 547 NE ARG A 120 -9.681 13.501 -3.419 1.00 0.00 N ATOM 548 CZ ARG A 120 -10.195 14.503 -4.140 1.00 0.00 C ATOM 549 NH1 ARG A 120 -10.588 14.298 -5.391 1.00 0.00 N ATOM 550 NH2 ARG A 120 -10.297 15.710 -3.613 1.00 0.00 N ATOM 0 H ARG A 120 -10.610 9.288 -1.408 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.703 9.591 -4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.334 9.243 -2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.263 9.725 -4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.496 11.334 -1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.924 11.616 -2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.980 12.067 -4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.560 11.723 -4.108 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.340 13.722 -2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.499 13.372 -5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.979 15.067 -5.935 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -9.984 15.877 -2.657 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -10.689 16.475 -4.162 1.00 0.00 H new ATOM 564 N GLU A 121 -10.422 6.841 -2.758 1.00 0.00 N ATOM 565 CA GLU A 121 -10.200 5.390 -2.765 1.00 0.00 C ATOM 566 C GLU A 121 -8.704 5.090 -2.730 1.00 0.00 C ATOM 567 O GLU A 121 -8.221 4.080 -3.277 1.00 0.00 O ATOM 568 CB GLU A 121 -10.893 4.721 -3.955 1.00 0.00 C ATOM 569 CG GLU A 121 -12.403 4.766 -3.865 1.00 0.00 C ATOM 570 CD GLU A 121 -13.056 4.261 -5.107 1.00 0.00 C ATOM 571 OE1 GLU A 121 -13.302 3.043 -5.228 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.337 5.080 -5.995 1.00 0.00 O ATOM 0 H GLU A 121 -10.958 7.166 -1.953 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.650 4.965 -1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.575 5.211 -4.875 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.570 3.682 -4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.733 4.169 -3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.724 5.791 -3.679 1.00 0.00 H new ATOM 579 N THR A 122 -7.987 5.949 -2.053 1.00 0.00 N ATOM 580 CA THR A 122 -6.582 5.809 -1.889 1.00 0.00 C ATOM 581 C THR A 122 -6.263 5.721 -0.402 1.00 0.00 C ATOM 582 O THR A 122 -7.114 6.000 0.440 1.00 0.00 O ATOM 583 CB THR A 122 -5.807 6.986 -2.538 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.253 8.238 -1.996 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.985 7.011 -4.051 1.00 0.00 C ATOM 0 H THR A 122 -8.378 6.774 -1.598 1.00 0.00 H new ATOM 0 HA THR A 122 -6.263 4.897 -2.394 1.00 0.00 H new ATOM 0 HB THR A 122 -4.751 6.838 -2.313 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.520 8.888 -2.028 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.427 7.849 -4.469 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.613 6.079 -4.477 1.00 0.00 H new ATOM 0 HG23 THR A 122 -7.042 7.123 -4.291 1.00 0.00 H new ATOM 593 N CYS A 123 -5.089 5.305 -0.080 1.00 0.00 N ATOM 594 CA CYS A 123 -4.677 5.193 1.279 1.00 0.00 C ATOM 595 C CYS A 123 -3.207 5.454 1.392 1.00 0.00 C ATOM 596 O CYS A 123 -2.451 5.210 0.455 1.00 0.00 O ATOM 597 CB CYS A 123 -4.998 3.810 1.807 1.00 0.00 C ATOM 598 SG CYS A 123 -4.358 2.486 0.774 1.00 0.00 S ATOM 0 H CYS A 123 -4.379 5.029 -0.758 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.215 5.932 1.872 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.587 3.708 2.811 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -6.079 3.704 1.893 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.034 2.963 -0.391 1.00 0.00 H new ATOM 604 N VAL A 124 -2.806 5.919 2.516 1.00 0.00 N ATOM 605 CA VAL A 124 -1.434 6.188 2.781 1.00 0.00 C ATOM 606 C VAL A 124 -0.872 4.992 3.486 1.00 0.00 C ATOM 607 O VAL A 124 -1.477 4.496 4.440 1.00 0.00 O ATOM 608 CB VAL A 124 -1.262 7.437 3.679 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.205 7.693 3.981 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.887 8.649 3.019 1.00 0.00 C ATOM 0 H VAL A 124 -3.430 6.129 3.295 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.915 6.384 1.843 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.773 7.250 4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.298 8.576 4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.626 6.831 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.745 7.856 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.759 9.520 3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.403 8.831 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.950 8.469 2.860 1.00 0.00 H new ATOM 620 N VAL A 125 0.246 4.521 3.031 1.00 0.00 N ATOM 621 CA VAL A 125 0.876 3.386 3.617 1.00 0.00 C ATOM 622 C VAL A 125 2.285 3.756 4.031 1.00 0.00 C ATOM 623 O VAL A 125 2.924 4.616 3.416 1.00 0.00 O ATOM 624 CB VAL A 125 0.933 2.165 2.638 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.449 1.736 2.171 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.843 2.446 1.448 1.00 0.00 C ATOM 0 H VAL A 125 0.749 4.918 2.237 1.00 0.00 H new ATOM 0 HA VAL A 125 0.282 3.090 4.482 1.00 0.00 H new ATOM 0 HB VAL A 125 1.357 1.334 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.357 0.886 1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.052 1.450 3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.930 2.564 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.859 1.578 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.469 3.310 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.853 2.651 1.803 1.00 0.00 H new ATOM 636 N VAL A 126 2.727 3.154 5.082 1.00 0.00 N ATOM 637 CA VAL A 126 4.044 3.342 5.601 1.00 0.00 C ATOM 638 C VAL A 126 4.863 2.133 5.267 1.00 0.00 C ATOM 639 O VAL A 126 4.489 1.019 5.614 1.00 0.00 O ATOM 640 CB VAL A 126 4.030 3.555 7.140 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.452 3.537 7.704 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.339 4.871 7.485 1.00 0.00 C ATOM 0 H VAL A 126 2.166 2.496 5.623 1.00 0.00 H new ATOM 0 HA VAL A 126 4.473 4.237 5.150 1.00 0.00 H new ATOM 0 HB VAL A 126 3.473 2.736 7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.417 3.688 8.783 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.917 2.576 7.487 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.036 4.335 7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.336 5.008 8.566 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.874 5.697 7.016 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.312 4.850 7.119 1.00 0.00 H new ATOM 652 N TYR A 127 5.948 2.346 4.585 1.00 0.00 N ATOM 653 CA TYR A 127 6.827 1.280 4.211 1.00 0.00 C ATOM 654 C TYR A 127 7.516 0.737 5.425 1.00 0.00 C ATOM 655 O TYR A 127 8.320 1.433 6.087 1.00 0.00 O ATOM 656 CB TYR A 127 7.815 1.724 3.159 1.00 0.00 C ATOM 657 CG TYR A 127 7.154 2.059 1.855 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.715 1.045 1.014 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.943 3.373 1.467 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.097 1.326 -0.174 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.311 3.660 0.285 1.00 0.00 C ATOM 662 CZ TYR A 127 5.892 2.630 -0.532 1.00 0.00 C ATOM 663 OH TYR A 127 5.224 2.905 -1.700 1.00 0.00 O ATOM 0 H TYR A 127 6.250 3.268 4.271 1.00 0.00 H new ATOM 0 HA TYR A 127 6.235 0.480 3.767 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.359 2.596 3.521 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.549 0.934 2.998 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.864 0.015 1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.280 4.179 2.102 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.774 0.525 -0.823 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.142 4.686 -0.005 1.00 0.00 H new ATOM 0 HH TYR A 127 5.321 3.856 -1.916 1.00 0.00 H new ATOM 673 N THR A 128 7.194 -0.483 5.713 1.00 0.00 N ATOM 674 CA THR A 128 7.629 -1.160 6.877 1.00 0.00 C ATOM 675 C THR A 128 9.140 -1.359 6.847 1.00 0.00 C ATOM 676 O THR A 128 9.705 -1.795 5.838 1.00 0.00 O ATOM 677 CB THR A 128 6.921 -2.510 6.934 1.00 0.00 C ATOM 678 OG1 THR A 128 5.494 -2.300 6.837 1.00 0.00 O ATOM 679 CG2 THR A 128 7.250 -3.242 8.214 1.00 0.00 C ATOM 0 H THR A 128 6.596 -1.052 5.114 1.00 0.00 H new ATOM 0 HA THR A 128 7.388 -0.570 7.761 1.00 0.00 H new ATOM 0 HB THR A 128 7.264 -3.123 6.100 1.00 0.00 H new ATOM 0 HG1 THR A 128 5.033 -3.164 6.871 1.00 0.00 H new ATOM 0 HG21 THR A 128 6.732 -4.201 8.228 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.326 -3.410 8.271 1.00 0.00 H new ATOM 0 HG23 THR A 128 6.930 -2.644 9.068 1.00 0.00 H new ATOM 687 N GLY A 129 9.779 -0.994 7.930 1.00 0.00 N ATOM 688 CA GLY A 129 11.197 -1.129 8.043 1.00 0.00 C ATOM 689 C GLY A 129 11.917 0.112 7.575 1.00 0.00 C ATOM 690 O GLY A 129 13.028 0.398 8.020 1.00 0.00 O ATOM 0 H GLY A 129 9.326 -0.596 8.753 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.461 -1.333 9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.529 -1.985 7.455 1.00 0.00 H new ATOM 694 N TYR A 130 11.284 0.877 6.709 1.00 0.00 N ATOM 695 CA TYR A 130 11.923 2.031 6.150 1.00 0.00 C ATOM 696 C TYR A 130 11.491 3.275 6.852 1.00 0.00 C ATOM 697 O TYR A 130 12.322 4.049 7.306 1.00 0.00 O ATOM 698 CB TYR A 130 11.648 2.140 4.671 1.00 0.00 C ATOM 699 CG TYR A 130 12.170 0.983 3.877 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.512 0.888 3.588 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.324 -0.007 3.405 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.006 -0.156 2.856 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.811 -1.059 2.668 1.00 0.00 C ATOM 704 CZ TYR A 130 13.157 -1.127 2.395 1.00 0.00 C ATOM 705 OH TYR A 130 13.662 -2.190 1.667 1.00 0.00 O ATOM 0 H TYR A 130 10.331 0.714 6.383 1.00 0.00 H new ATOM 0 HA TYR A 130 12.998 1.913 6.290 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.572 2.221 4.515 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.095 3.060 4.294 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.187 1.651 3.946 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.267 0.049 3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.063 -0.215 2.642 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.142 -1.826 2.306 1.00 0.00 H new ATOM 0 HH TYR A 130 13.239 -2.212 0.783 1.00 0.00 H new ATOM 715 N GLY A 131 10.200 3.458 6.962 1.00 0.00 N ATOM 716 CA GLY A 131 9.700 4.625 7.628 1.00 0.00 C ATOM 717 C GLY A 131 9.251 5.713 6.679 1.00 0.00 C ATOM 718 O GLY A 131 9.185 6.873 7.057 1.00 0.00 O ATOM 0 H GLY A 131 9.488 2.822 6.604 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.862 4.340 8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.477 5.022 8.282 1.00 0.00 H new ATOM 722 N ASN A 132 8.982 5.372 5.441 1.00 0.00 N ATOM 723 CA ASN A 132 8.401 6.375 4.537 1.00 0.00 C ATOM 724 C ASN A 132 6.956 6.107 4.371 1.00 0.00 C ATOM 725 O ASN A 132 6.503 5.000 4.616 1.00 0.00 O ATOM 726 CB ASN A 132 9.023 6.459 3.140 1.00 0.00 C ATOM 727 CG ASN A 132 10.418 7.042 3.082 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.835 7.806 3.957 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.121 6.735 2.029 1.00 0.00 N ATOM 0 H ASN A 132 9.142 4.450 5.035 1.00 0.00 H new ATOM 0 HA ASN A 132 8.608 7.330 5.020 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.049 5.457 2.712 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.370 7.060 2.506 1.00 0.00 H new ATOM 0 HD21 ASN A 132 12.053 7.130 1.905 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.739 6.099 1.329 1.00 0.00 H new ATOM 736 N ARG A 133 6.244 7.078 3.913 1.00 0.00 N ATOM 737 CA ARG A 133 4.837 6.937 3.720 1.00 0.00 C ATOM 738 C ARG A 133 4.466 7.475 2.363 1.00 0.00 C ATOM 739 O ARG A 133 5.036 8.476 1.905 1.00 0.00 O ATOM 740 CB ARG A 133 4.042 7.574 4.889 1.00 0.00 C ATOM 741 CG ARG A 133 4.179 9.079 5.061 1.00 0.00 C ATOM 742 CD ARG A 133 3.171 9.832 4.228 1.00 0.00 C ATOM 743 NE ARG A 133 3.301 11.281 4.381 1.00 0.00 N ATOM 744 CZ ARG A 133 2.334 12.171 4.130 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.159 11.772 3.661 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.559 13.457 4.316 1.00 0.00 N ATOM 0 H ARG A 133 6.618 7.993 3.661 1.00 0.00 H new ATOM 0 HA ARG A 133 4.561 5.883 3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 133 2.986 7.341 4.751 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.356 7.094 5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.049 9.338 6.112 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.186 9.387 4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.298 9.566 3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.165 9.527 4.515 1.00 0.00 H new ATOM 0 HE ARG A 133 4.199 11.641 4.704 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.988 10.781 3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.426 12.456 3.472 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.469 13.772 4.651 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.823 14.136 4.125 1.00 0.00 H new ATOM 760 N GLU A 134 3.580 6.796 1.716 1.00 0.00 N ATOM 761 CA GLU A 134 3.172 7.110 0.388 1.00 0.00 C ATOM 762 C GLU A 134 1.709 6.738 0.205 1.00 0.00 C ATOM 763 O GLU A 134 1.227 5.816 0.861 1.00 0.00 O ATOM 764 CB GLU A 134 4.102 6.363 -0.570 1.00 0.00 C ATOM 765 CG GLU A 134 3.665 6.320 -1.992 1.00 0.00 C ATOM 766 CD GLU A 134 4.827 6.202 -2.930 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.393 5.116 -3.121 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.190 7.229 -3.522 1.00 0.00 O ATOM 0 H GLU A 134 3.105 5.983 2.108 1.00 0.00 H new ATOM 0 HA GLU A 134 3.248 8.177 0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.087 6.827 -0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.215 5.339 -0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 134 2.992 5.475 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.100 7.222 -2.226 1.00 0.00 H new ATOM 775 N GLU A 135 1.010 7.442 -0.667 1.00 0.00 N ATOM 776 CA GLU A 135 -0.394 7.219 -0.857 1.00 0.00 C ATOM 777 C GLU A 135 -0.616 6.441 -2.125 1.00 0.00 C ATOM 778 O GLU A 135 -0.215 6.856 -3.215 1.00 0.00 O ATOM 779 CB GLU A 135 -1.163 8.532 -0.879 1.00 0.00 C ATOM 780 CG GLU A 135 -2.678 8.351 -0.913 1.00 0.00 C ATOM 781 CD GLU A 135 -3.432 9.648 -0.847 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.380 10.330 0.190 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.115 10.011 -1.832 1.00 0.00 O ATOM 0 H GLU A 135 1.404 8.177 -1.255 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.772 6.638 -0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.895 9.116 0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.855 9.110 -1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.954 7.824 -1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.981 7.720 -0.077 1.00 0.00 H new ATOM 790 N GLN A 136 -1.251 5.331 -1.971 1.00 0.00 N ATOM 791 CA GLN A 136 -1.475 4.390 -3.028 1.00 0.00 C ATOM 792 C GLN A 136 -2.964 4.127 -3.105 1.00 0.00 C ATOM 793 O GLN A 136 -3.682 4.411 -2.163 1.00 0.00 O ATOM 794 CB GLN A 136 -0.749 3.098 -2.672 1.00 0.00 C ATOM 795 CG GLN A 136 0.718 3.305 -2.298 1.00 0.00 C ATOM 796 CD GLN A 136 1.632 3.491 -3.492 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.222 3.962 -4.564 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.881 3.203 -3.302 1.00 0.00 N ATOM 0 H GLN A 136 -1.645 5.038 -1.077 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.111 4.768 -3.983 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.264 2.619 -1.839 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.807 2.413 -3.518 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.799 4.178 -1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.061 2.447 -1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.185 2.817 -2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.560 3.362 -4.046 1.00 0.00 H new ATOM 807 N ASN A 137 -3.416 3.583 -4.185 1.00 0.00 N ATOM 808 CA ASN A 137 -4.840 3.305 -4.373 1.00 0.00 C ATOM 809 C ASN A 137 -5.162 2.005 -3.719 1.00 0.00 C ATOM 810 O ASN A 137 -4.360 1.089 -3.766 1.00 0.00 O ATOM 811 CB ASN A 137 -5.177 3.162 -5.850 1.00 0.00 C ATOM 812 CG ASN A 137 -4.789 4.332 -6.711 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.579 5.228 -6.944 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.565 4.342 -7.173 1.00 0.00 N ATOM 0 H ASN A 137 -2.828 3.311 -4.973 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.409 4.130 -3.944 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.684 2.269 -6.234 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.250 3.000 -5.947 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.244 5.119 -7.750 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.932 3.572 -6.956 1.00 0.00 H new ATOM 821 N LEU A 138 -6.336 1.914 -3.144 1.00 0.00 N ATOM 822 CA LEU A 138 -6.808 0.684 -2.500 1.00 0.00 C ATOM 823 C LEU A 138 -6.821 -0.468 -3.495 1.00 0.00 C ATOM 824 O LEU A 138 -6.362 -1.551 -3.202 1.00 0.00 O ATOM 825 CB LEU A 138 -8.203 0.908 -1.928 1.00 0.00 C ATOM 826 CG LEU A 138 -8.291 1.964 -0.838 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.730 2.339 -0.598 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.666 1.453 0.447 1.00 0.00 C ATOM 0 H LEU A 138 -7.002 2.685 -3.102 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.128 0.425 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.871 1.191 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.571 -0.037 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.743 2.848 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.783 3.096 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.161 2.736 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.289 1.456 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.737 2.221 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.193 0.558 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.618 1.212 0.271 1.00 0.00 H new ATOM 840 N SER A 139 -7.265 -0.184 -4.702 1.00 0.00 N ATOM 841 CA SER A 139 -7.349 -1.194 -5.746 1.00 0.00 C ATOM 842 C SER A 139 -5.979 -1.440 -6.403 1.00 0.00 C ATOM 843 O SER A 139 -5.826 -2.340 -7.227 1.00 0.00 O ATOM 844 CB SER A 139 -8.351 -0.746 -6.810 1.00 0.00 C ATOM 845 OG SER A 139 -9.625 -0.449 -6.231 1.00 0.00 O ATOM 0 H SER A 139 -7.576 0.744 -4.989 1.00 0.00 H new ATOM 0 HA SER A 139 -7.679 -2.127 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.969 0.135 -7.325 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.463 -1.529 -7.560 1.00 0.00 H new ATOM 0 HG SER A 139 -10.245 -0.164 -6.934 1.00 0.00 H new ATOM 851 N ASP A 140 -4.989 -0.652 -6.029 1.00 0.00 N ATOM 852 CA ASP A 140 -3.667 -0.748 -6.646 1.00 0.00 C ATOM 853 C ASP A 140 -2.683 -1.307 -5.637 1.00 0.00 C ATOM 854 O ASP A 140 -1.491 -1.502 -5.930 1.00 0.00 O ATOM 855 CB ASP A 140 -3.213 0.630 -7.121 1.00 0.00 C ATOM 856 CG ASP A 140 -2.024 0.623 -8.048 1.00 0.00 C ATOM 857 OD1 ASP A 140 -2.119 0.071 -9.157 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.989 1.214 -7.702 1.00 0.00 O ATOM 0 H ASP A 140 -5.068 0.061 -5.304 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.714 -1.414 -7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.047 1.116 -7.627 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.971 1.237 -6.249 1.00 0.00 H new ATOM 863 N LEU A 141 -3.178 -1.546 -4.430 1.00 0.00 N ATOM 864 CA LEU A 141 -2.389 -2.153 -3.390 1.00 0.00 C ATOM 865 C LEU A 141 -2.088 -3.589 -3.721 1.00 0.00 C ATOM 866 O LEU A 141 -2.714 -4.198 -4.604 1.00 0.00 O ATOM 867 CB LEU A 141 -3.063 -2.069 -2.019 1.00 0.00 C ATOM 868 CG LEU A 141 -3.218 -0.682 -1.415 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.811 -0.777 -0.030 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.887 0.027 -1.366 1.00 0.00 C ATOM 0 H LEU A 141 -4.134 -1.322 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.458 -1.588 -3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.053 -2.517 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.492 -2.681 -1.321 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.893 -0.105 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.916 0.223 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.790 -1.252 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.155 -1.371 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -2.018 1.018 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.191 -0.548 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.489 0.124 -2.376 1.00 0.00 H new ATOM 882 N LEU A 142 -1.143 -4.117 -3.039 1.00 0.00 N ATOM 883 CA LEU A 142 -0.698 -5.440 -3.258 1.00 0.00 C ATOM 884 C LEU A 142 -0.766 -6.186 -1.952 1.00 0.00 C ATOM 885 O LEU A 142 -0.765 -5.569 -0.878 1.00 0.00 O ATOM 886 CB LEU A 142 0.723 -5.384 -3.800 1.00 0.00 C ATOM 887 CG LEU A 142 0.877 -4.595 -5.102 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.314 -4.264 -5.387 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.263 -5.344 -6.267 1.00 0.00 C ATOM 0 H LEU A 142 -0.645 -3.629 -2.294 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.323 -5.960 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.369 -4.940 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 142 1.076 -6.402 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 142 0.340 -3.655 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.380 -3.704 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.717 -3.662 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.889 -5.186 -5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.386 -4.761 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.759 -6.308 -6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -0.799 -5.503 -6.079 1.00 0.00 H new ATOM 901 N SER A 143 -0.830 -7.473 -2.034 1.00 0.00 N ATOM 902 CA SER A 143 -0.966 -8.311 -0.870 1.00 0.00 C ATOM 903 C SER A 143 0.335 -8.309 -0.059 1.00 0.00 C ATOM 904 O SER A 143 1.420 -8.313 -0.642 1.00 0.00 O ATOM 905 CB SER A 143 -1.334 -9.714 -1.327 1.00 0.00 C ATOM 906 OG SER A 143 -2.429 -9.666 -2.239 1.00 0.00 O ATOM 0 H SER A 143 -0.790 -7.986 -2.915 1.00 0.00 H new ATOM 0 HA SER A 143 -1.753 -7.930 -0.219 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.475 -10.185 -1.804 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.596 -10.328 -0.465 1.00 0.00 H new ATOM 0 HG SER A 143 -2.655 -10.575 -2.527 1.00 0.00 H new ATOM 912 N PRO A 144 0.238 -8.287 1.291 1.00 0.00 N ATOM 913 CA PRO A 144 1.410 -8.203 2.184 1.00 0.00 C ATOM 914 C PRO A 144 2.386 -9.359 2.001 1.00 0.00 C ATOM 915 O PRO A 144 1.992 -10.478 1.653 1.00 0.00 O ATOM 916 CB PRO A 144 0.805 -8.244 3.591 1.00 0.00 C ATOM 917 CG PRO A 144 -0.560 -8.814 3.412 1.00 0.00 C ATOM 918 CD PRO A 144 -1.020 -8.362 2.059 1.00 0.00 C ATOM 0 HA PRO A 144 1.994 -7.306 1.978 1.00 0.00 H new ATOM 0 HB2 PRO A 144 1.405 -8.861 4.260 1.00 0.00 H new ATOM 0 HB3 PRO A 144 0.761 -7.247 4.030 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -0.540 -9.902 3.474 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -1.235 -8.462 4.192 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -1.723 -9.067 1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -1.523 -7.396 2.105 1.00 0.00 H new ATOM 926 N ILE A 145 3.639 -9.093 2.235 1.00 0.00 N ATOM 927 CA ILE A 145 4.667 -10.093 2.080 1.00 0.00 C ATOM 928 C ILE A 145 4.828 -10.805 3.406 1.00 0.00 C ATOM 929 O ILE A 145 4.788 -10.175 4.460 1.00 0.00 O ATOM 930 CB ILE A 145 6.028 -9.469 1.694 1.00 0.00 C ATOM 931 CG1 ILE A 145 5.867 -8.481 0.531 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.023 -10.573 1.327 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.149 -7.784 0.120 1.00 0.00 C ATOM 0 H ILE A 145 3.981 -8.181 2.538 1.00 0.00 H new ATOM 0 HA ILE A 145 4.369 -10.774 1.282 1.00 0.00 H new ATOM 0 HB ILE A 145 6.412 -8.917 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.466 -9.015 -0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.131 -7.727 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 145 7.979 -10.126 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.162 -11.236 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 145 6.638 -11.144 0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 145 6.945 -7.104 -0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.543 -7.219 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.883 -8.527 -0.193 1.00 0.00 H new ATOM 945 N CYS A 146 4.994 -12.085 3.357 1.00 0.00 N ATOM 946 CA CYS A 146 5.110 -12.883 4.553 1.00 0.00 C ATOM 947 C CYS A 146 6.167 -13.965 4.340 1.00 0.00 C ATOM 948 O CYS A 146 6.169 -15.009 4.991 1.00 0.00 O ATOM 949 CB CYS A 146 3.742 -13.505 4.848 1.00 0.00 C ATOM 950 SG CYS A 146 3.603 -14.322 6.450 1.00 0.00 S ATOM 0 H CYS A 146 5.054 -12.617 2.489 1.00 0.00 H new ATOM 0 HA CYS A 146 5.418 -12.270 5.400 1.00 0.00 H new ATOM 0 HB2 CYS A 146 2.984 -12.724 4.789 1.00 0.00 H new ATOM 0 HB3 CYS A 146 3.514 -14.230 4.067 1.00 0.00 H new ATOM 0 HG CYS A 146 4.646 -15.074 6.646 1.00 0.00 H new ATOM 956 N GLU A 147 7.075 -13.700 3.445 1.00 0.00 N ATOM 957 CA GLU A 147 8.115 -14.638 3.124 1.00 0.00 C ATOM 958 C GLU A 147 9.449 -14.033 3.493 1.00 0.00 C ATOM 959 O GLU A 147 10.122 -13.440 2.607 1.00 0.00 O ATOM 960 CB GLU A 147 8.066 -14.979 1.640 1.00 0.00 C ATOM 961 CG GLU A 147 6.756 -15.602 1.202 1.00 0.00 C ATOM 962 CD GLU A 147 6.709 -15.866 -0.271 1.00 0.00 C ATOM 963 OE1 GLU A 147 6.296 -14.962 -1.033 1.00 0.00 O ATOM 964 OE2 GLU A 147 7.064 -16.971 -0.705 1.00 0.00 O ATOM 965 OXT GLU A 147 9.810 -14.075 4.682 1.00 0.00 O ATOM 0 H GLU A 147 7.116 -12.828 2.917 1.00 0.00 H new ATOM 0 HA GLU A 147 7.974 -15.560 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 147 8.238 -14.071 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 147 8.880 -15.665 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 147 6.605 -16.538 1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 147 5.934 -14.941 1.475 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 16.299 2.752 -3.473 1.00 0.00 N HETATM 974 CA 2MR A1148 16.353 3.098 -2.065 1.00 0.00 C HETATM 975 CB 2MR A1148 15.991 1.891 -1.204 1.00 0.00 C HETATM 976 CG 2MR A1148 15.928 2.137 0.300 1.00 0.00 C HETATM 977 CD 2MR A1148 14.616 2.777 0.688 1.00 0.00 C HETATM 978 NE 2MR A1148 13.493 1.940 0.243 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.224 2.131 0.539 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.891 3.197 1.336 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.592 3.664 1.832 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.337 1.289 -0.018 1.00 0.00 N HETATM 983 CQ2 2MR A1148 9.894 1.218 0.089 1.00 0.00 C HETATM 984 C 2MR A1148 17.741 3.566 -1.775 1.00 0.00 C HETATM 985 O 2MR A1148 17.916 4.719 -1.344 1.00 0.00 O HETATM 986 OXT 2MR A1148 18.672 2.805 -2.044 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.614 1.060 1.130 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.456 2.151 -0.267 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.525 0.390 -0.516 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 9.945 3.904 0.988 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 10.129 2.881 2.433 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 10.735 4.554 2.444 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.751 0.577 -0.620 1.00 0.00 H new HETATM 0 HG3 2MR A1148 16.048 1.193 0.832 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.754 2.781 0.602 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.716 1.139 -0.348 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.574 2.911 1.769 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.540 3.768 0.241 1.00 0.00 H new HETATM 0 HB3 2MR A1148 15.022 1.514 -1.531 1.00 0.00 H new HETATM 0 HB2 2MR A1148 16.720 1.103 -1.393 1.00 0.00 H new HETATM 0 HA 2MR A1148 15.634 3.884 -1.832 1.00 0.00 H new HETATM 0 H2 2MR A1148 16.516 3.455 -4.180 1.00 0.00 H new HETATM 0 H 2MR A1148 16.044 1.806 -3.756 1.00 0.00 H new