USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=20 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 -166:sc= 1.02 USER MOD Set 1.2: A 136 GLN : amide:sc= -0.865 K(o=0.16,f=-3.3!) USER MOD Set 2.1: A 112 THR OG1 : rot 80:sc= 0.0661 USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= 0.0646 USER MOD Single : A 84 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.77) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.066 USER MOD Single : A 90 GLN : amide:sc= 0.0931 K(o=0.093,f=-4.7!) USER MOD Single : A 91 GLN : amide:sc= 0.271 X(o=0.27,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 169:sc=-0.00328 (180deg=-0.116) USER MOD Single : A 97 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.08) USER MOD Single : A 98 CYS SG : rot -9:sc= 0.974 USER MOD Single : A 99 SER OG : rot 125:sc= -1.27! USER MOD Single : A 103 SER OG : rot 141:sc= 0.727 USER MOD Single : A 107 CYS SG : rot 117:sc= 0.86 USER MOD Single : A 109 TYR OH : rot 165:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -0.0955 USER MOD Single : A 119 LYS NZ :NH3+ -108:sc= 0.528 (180deg=-0.317) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.041 USER MOD Single : A 123 CYS SG : rot 110:sc= -4.69! USER MOD Single : A 130 TYR OH : rot -127:sc= 0.0216 USER MOD Single : A 132 ASN : amide:sc= -2! X(o=-2!,f=-1.6) USER MOD Single : A 137 ASN : amide:sc= -0.0282 X(o=-0.028,f=-0.079) USER MOD Single : A 139 SER OG : rot 180:sc= 0.13 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot -22:sc= 0.252 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -14.588 -11.408 -11.779 1.00 0.00 N ATOM 2 CA ASN A 84 -14.215 -10.489 -10.707 1.00 0.00 C ATOM 3 C ASN A 84 -12.885 -10.917 -10.138 1.00 0.00 C ATOM 4 O ASN A 84 -12.736 -12.059 -9.683 1.00 0.00 O ATOM 5 CB ASN A 84 -15.275 -10.467 -9.589 1.00 0.00 C ATOM 6 CG ASN A 84 -14.964 -9.439 -8.503 1.00 0.00 C ATOM 7 OD1 ASN A 84 -14.344 -8.409 -8.762 1.00 0.00 O ATOM 8 ND2 ASN A 84 -15.394 -9.701 -7.296 1.00 0.00 N ATOM 0 HA ASN A 84 -14.146 -9.483 -11.120 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.250 -10.247 -10.023 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.342 -11.457 -9.138 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -15.218 -9.042 -6.538 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -15.906 -10.564 -7.113 1.00 0.00 H new ATOM 17 N THR A 85 -11.920 -10.044 -10.198 1.00 0.00 N ATOM 18 CA THR A 85 -10.621 -10.318 -9.667 1.00 0.00 C ATOM 19 C THR A 85 -10.138 -9.097 -8.902 1.00 0.00 C ATOM 20 O THR A 85 -9.484 -8.214 -9.465 1.00 0.00 O ATOM 21 CB THR A 85 -9.612 -10.711 -10.784 1.00 0.00 C ATOM 22 OG1 THR A 85 -10.138 -11.825 -11.541 1.00 0.00 O ATOM 23 CG2 THR A 85 -8.259 -11.110 -10.192 1.00 0.00 C ATOM 0 H THR A 85 -12.015 -9.120 -10.619 1.00 0.00 H new ATOM 0 HA THR A 85 -10.688 -11.172 -8.993 1.00 0.00 H new ATOM 0 HB THR A 85 -9.470 -9.845 -11.431 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.503 -12.071 -12.245 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.575 -11.379 -10.997 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.846 -10.272 -9.630 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.390 -11.963 -9.527 1.00 0.00 H new ATOM 31 N ALA A 86 -10.580 -9.016 -7.659 1.00 0.00 N ATOM 32 CA ALA A 86 -10.224 -7.968 -6.723 1.00 0.00 C ATOM 33 C ALA A 86 -10.900 -8.272 -5.405 1.00 0.00 C ATOM 34 O ALA A 86 -10.296 -8.884 -4.536 1.00 0.00 O ATOM 35 CB ALA A 86 -10.614 -6.569 -7.229 1.00 0.00 C ATOM 0 H ALA A 86 -11.220 -9.704 -7.261 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.141 -7.952 -6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.325 -5.821 -6.490 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -10.102 -6.367 -8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.692 -6.526 -7.386 1.00 0.00 H new ATOM 41 N ALA A 87 -12.175 -7.874 -5.304 1.00 0.00 N ATOM 42 CA ALA A 87 -13.083 -8.122 -4.164 1.00 0.00 C ATOM 43 C ALA A 87 -12.482 -7.813 -2.794 1.00 0.00 C ATOM 44 O ALA A 87 -12.671 -6.734 -2.253 1.00 0.00 O ATOM 45 CB ALA A 87 -13.673 -9.518 -4.217 1.00 0.00 C ATOM 0 H ALA A 87 -12.628 -7.344 -6.048 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.892 -7.402 -4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.335 -9.666 -3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.239 -9.639 -5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.870 -10.254 -4.184 1.00 0.00 H new ATOM 51 N SER A 88 -11.733 -8.728 -2.259 1.00 0.00 N ATOM 52 CA SER A 88 -11.144 -8.551 -0.970 1.00 0.00 C ATOM 53 C SER A 88 -9.869 -7.736 -1.042 1.00 0.00 C ATOM 54 O SER A 88 -9.382 -7.223 -0.049 1.00 0.00 O ATOM 55 CB SER A 88 -10.952 -9.902 -0.316 1.00 0.00 C ATOM 56 OG SER A 88 -10.492 -10.851 -1.280 1.00 0.00 O ATOM 0 H SER A 88 -11.514 -9.619 -2.705 1.00 0.00 H new ATOM 0 HA SER A 88 -11.819 -7.970 -0.342 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.233 -9.822 0.499 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.892 -10.241 0.120 1.00 0.00 H new ATOM 0 HG SER A 88 -10.369 -11.722 -0.848 1.00 0.00 H new ATOM 62 N LEU A 89 -9.396 -7.570 -2.224 1.00 0.00 N ATOM 63 CA LEU A 89 -8.160 -6.839 -2.473 1.00 0.00 C ATOM 64 C LEU A 89 -8.489 -5.398 -2.885 1.00 0.00 C ATOM 65 O LEU A 89 -7.628 -4.564 -3.082 1.00 0.00 O ATOM 66 CB LEU A 89 -7.320 -7.587 -3.525 1.00 0.00 C ATOM 67 CG LEU A 89 -5.777 -7.498 -3.405 1.00 0.00 C ATOM 68 CD1 LEU A 89 -5.150 -8.500 -4.314 1.00 0.00 C ATOM 69 CD2 LEU A 89 -5.240 -6.130 -3.755 1.00 0.00 C ATOM 0 H LEU A 89 -9.843 -7.932 -3.067 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.559 -6.783 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.600 -8.640 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.603 -7.213 -4.509 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.528 -7.698 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.065 -8.438 -4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.479 -9.501 -4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.447 -8.294 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.155 -6.128 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.508 -5.886 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.669 -5.388 -3.082 1.00 0.00 H new ATOM 81 N GLN A 90 -9.745 -5.104 -2.958 1.00 0.00 N ATOM 82 CA GLN A 90 -10.153 -3.739 -3.298 1.00 0.00 C ATOM 83 C GLN A 90 -10.663 -3.033 -2.058 1.00 0.00 C ATOM 84 O GLN A 90 -10.978 -1.845 -2.075 1.00 0.00 O ATOM 85 CB GLN A 90 -11.191 -3.703 -4.431 1.00 0.00 C ATOM 86 CG GLN A 90 -12.512 -4.362 -4.105 1.00 0.00 C ATOM 87 CD GLN A 90 -13.468 -4.362 -5.270 1.00 0.00 C ATOM 88 OE1 GLN A 90 -13.487 -5.293 -6.080 1.00 0.00 O ATOM 89 NE2 GLN A 90 -14.261 -3.348 -5.376 1.00 0.00 N ATOM 0 H GLN A 90 -10.509 -5.760 -2.794 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.277 -3.210 -3.672 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.377 -2.663 -4.701 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.766 -4.189 -5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.332 -5.389 -3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.973 -3.845 -3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.220 -2.595 -4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.928 -3.301 -6.146 1.00 0.00 H new ATOM 98 N GLN A 91 -10.708 -3.778 -0.980 1.00 0.00 N ATOM 99 CA GLN A 91 -11.163 -3.293 0.289 1.00 0.00 C ATOM 100 C GLN A 91 -10.087 -3.553 1.330 1.00 0.00 C ATOM 101 O GLN A 91 -9.647 -4.694 1.528 1.00 0.00 O ATOM 102 CB GLN A 91 -12.504 -3.949 0.678 1.00 0.00 C ATOM 103 CG GLN A 91 -12.466 -5.465 0.716 1.00 0.00 C ATOM 104 CD GLN A 91 -13.799 -6.091 1.028 1.00 0.00 C ATOM 105 OE1 GLN A 91 -14.137 -6.328 2.191 1.00 0.00 O ATOM 106 NE2 GLN A 91 -14.546 -6.390 0.010 1.00 0.00 N ATOM 0 H GLN A 91 -10.422 -4.757 -0.966 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.343 -2.220 0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.806 -3.580 1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -13.269 -3.633 -0.031 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.116 -5.836 -0.247 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.740 -5.784 1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -14.229 -6.177 -0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.451 -6.838 0.155 1.00 0.00 H new ATOM 115 N TRP A 92 -9.616 -2.505 1.922 1.00 0.00 N ATOM 116 CA TRP A 92 -8.589 -2.567 2.938 1.00 0.00 C ATOM 117 C TRP A 92 -9.035 -1.718 4.098 1.00 0.00 C ATOM 118 O TRP A 92 -9.982 -0.931 3.951 1.00 0.00 O ATOM 119 CB TRP A 92 -7.257 -2.033 2.414 1.00 0.00 C ATOM 120 CG TRP A 92 -6.676 -2.779 1.249 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.988 -2.607 -0.063 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.652 -3.785 1.287 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.237 -3.442 -0.837 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.407 -4.175 -0.041 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.921 -4.392 2.312 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.464 -5.141 -0.374 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.980 -5.353 1.974 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.761 -5.714 0.639 1.00 0.00 C ATOM 0 H TRP A 92 -9.933 -1.558 1.717 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.443 -3.605 3.236 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.392 -0.991 2.125 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.534 -2.047 3.229 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.723 -1.911 -0.438 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.288 -3.508 -1.854 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.085 -4.119 3.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.296 -5.426 -1.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.406 -5.831 2.754 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.018 -6.463 0.409 1.00 0.00 H new ATOM 139 N LYS A 93 -8.412 -1.881 5.239 1.00 0.00 N ATOM 140 CA LYS A 93 -8.755 -1.081 6.400 1.00 0.00 C ATOM 141 C LYS A 93 -7.482 -0.512 7.009 1.00 0.00 C ATOM 142 O LYS A 93 -6.391 -1.055 6.792 1.00 0.00 O ATOM 143 CB LYS A 93 -9.529 -1.917 7.424 1.00 0.00 C ATOM 144 CG LYS A 93 -8.704 -2.979 8.118 1.00 0.00 C ATOM 145 CD LYS A 93 -9.608 -3.989 8.813 1.00 0.00 C ATOM 146 CE LYS A 93 -8.820 -5.041 9.563 1.00 0.00 C ATOM 147 NZ LYS A 93 -8.032 -4.473 10.672 1.00 0.00 N ATOM 0 H LYS A 93 -7.665 -2.558 5.394 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.401 -0.258 6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.947 -1.250 8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.369 -2.397 6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -8.071 -3.488 7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.041 -2.514 8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -10.266 -3.467 9.507 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -10.245 -4.474 8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -9.505 -5.792 9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.151 -5.551 8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.662 -5.243 11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.239 -3.921 10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.638 -3.854 11.247 1.00 0.00 H new ATOM 161 N VAL A 94 -7.609 0.577 7.721 1.00 0.00 N ATOM 162 CA VAL A 94 -6.480 1.206 8.370 1.00 0.00 C ATOM 163 C VAL A 94 -5.902 0.263 9.420 1.00 0.00 C ATOM 164 O VAL A 94 -6.636 -0.277 10.254 1.00 0.00 O ATOM 165 CB VAL A 94 -6.880 2.553 9.031 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.695 3.189 9.734 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.448 3.513 8.001 1.00 0.00 C ATOM 0 H VAL A 94 -8.497 1.056 7.870 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.727 1.418 7.610 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.649 2.340 9.773 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.004 4.131 10.188 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.328 2.516 10.509 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.901 3.378 9.011 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.721 4.449 8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.699 3.708 7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.332 3.072 7.541 1.00 0.00 H new ATOM 177 N GLY A 95 -4.614 0.041 9.354 1.00 0.00 N ATOM 178 CA GLY A 95 -3.976 -0.840 10.288 1.00 0.00 C ATOM 179 C GLY A 95 -3.745 -2.207 9.698 1.00 0.00 C ATOM 180 O GLY A 95 -3.359 -3.138 10.401 1.00 0.00 O ATOM 0 H GLY A 95 -3.991 0.459 8.663 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.023 -0.412 10.599 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.592 -0.929 11.183 1.00 0.00 H new ATOM 184 N ASP A 96 -4.001 -2.348 8.419 1.00 0.00 N ATOM 185 CA ASP A 96 -3.765 -3.610 7.739 1.00 0.00 C ATOM 186 C ASP A 96 -2.459 -3.499 7.021 1.00 0.00 C ATOM 187 O ASP A 96 -2.075 -2.403 6.600 1.00 0.00 O ATOM 188 CB ASP A 96 -4.843 -3.907 6.708 1.00 0.00 C ATOM 189 CG ASP A 96 -5.460 -5.285 6.859 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.724 -6.292 6.893 1.00 0.00 O ATOM 191 OD2 ASP A 96 -6.696 -5.387 6.962 1.00 0.00 O ATOM 0 H ASP A 96 -4.373 -1.608 7.824 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.768 -4.411 8.478 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.628 -3.155 6.788 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.415 -3.816 5.710 1.00 0.00 H new ATOM 196 N LYS A 97 -1.756 -4.569 6.912 1.00 0.00 N ATOM 197 CA LYS A 97 -0.512 -4.568 6.211 1.00 0.00 C ATOM 198 C LYS A 97 -0.735 -4.925 4.772 1.00 0.00 C ATOM 199 O LYS A 97 -1.662 -5.671 4.450 1.00 0.00 O ATOM 200 CB LYS A 97 0.379 -5.562 6.857 1.00 0.00 C ATOM 201 CG LYS A 97 0.515 -5.293 8.339 1.00 0.00 C ATOM 202 CD LYS A 97 1.171 -6.419 9.041 1.00 0.00 C ATOM 203 CE LYS A 97 2.639 -6.511 8.678 1.00 0.00 C ATOM 204 NZ LYS A 97 3.332 -7.630 9.353 1.00 0.00 N ATOM 0 H LYS A 97 -2.022 -5.472 7.304 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.056 -3.579 6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.018 -6.565 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.362 -5.532 6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.094 -4.382 8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.471 -5.120 8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.068 -6.289 10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.671 -7.353 8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.734 -6.630 7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.132 -5.575 8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.230 -7.826 8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.523 -7.374 10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.731 -8.478 9.325 1.00 0.00 H new ATOM 218 N CYS A 98 0.105 -4.427 3.923 1.00 0.00 N ATOM 219 CA CYS A 98 -0.017 -4.648 2.522 1.00 0.00 C ATOM 220 C CYS A 98 1.352 -4.490 1.870 1.00 0.00 C ATOM 221 O CYS A 98 2.388 -4.471 2.552 1.00 0.00 O ATOM 222 CB CYS A 98 -1.000 -3.621 1.945 1.00 0.00 C ATOM 223 SG CYS A 98 -0.508 -1.918 2.263 1.00 0.00 S ATOM 0 H CYS A 98 0.903 -3.849 4.188 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.389 -5.654 2.327 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.086 -3.773 0.869 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.988 -3.793 2.371 1.00 0.00 H new ATOM 0 HG CYS A 98 0.488 -1.903 3.098 1.00 0.00 H new ATOM 229 N SER A 99 1.353 -4.426 0.597 1.00 0.00 N ATOM 230 CA SER A 99 2.520 -4.142 -0.168 1.00 0.00 C ATOM 231 C SER A 99 2.182 -3.038 -1.128 1.00 0.00 C ATOM 232 O SER A 99 1.035 -2.943 -1.591 1.00 0.00 O ATOM 233 CB SER A 99 2.997 -5.385 -0.895 1.00 0.00 C ATOM 234 OG SER A 99 3.381 -6.387 0.023 1.00 0.00 O ATOM 0 H SER A 99 0.518 -4.573 0.030 1.00 0.00 H new ATOM 0 HA SER A 99 3.336 -3.825 0.482 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.203 -5.762 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.839 -5.134 -1.540 1.00 0.00 H new ATOM 0 HG SER A 99 2.885 -7.211 -0.165 1.00 0.00 H new ATOM 240 N ALA A 100 3.122 -2.193 -1.389 1.00 0.00 N ATOM 241 CA ALA A 100 2.894 -1.076 -2.243 1.00 0.00 C ATOM 242 C ALA A 100 4.042 -0.904 -3.191 1.00 0.00 C ATOM 243 O ALA A 100 5.140 -1.443 -2.964 1.00 0.00 O ATOM 244 CB ALA A 100 2.698 0.176 -1.413 1.00 0.00 C ATOM 0 H ALA A 100 4.069 -2.257 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 100 1.991 -1.254 -2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.524 1.026 -2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.839 0.046 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.590 0.358 -0.813 1.00 0.00 H new ATOM 250 N ILE A 101 3.787 -0.206 -4.256 1.00 0.00 N ATOM 251 CA ILE A 101 4.787 0.099 -5.233 1.00 0.00 C ATOM 252 C ILE A 101 5.419 1.420 -4.902 1.00 0.00 C ATOM 253 O ILE A 101 4.762 2.470 -4.978 1.00 0.00 O ATOM 254 CB ILE A 101 4.177 0.147 -6.655 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.783 -1.257 -7.108 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.120 0.815 -7.666 1.00 0.00 C ATOM 257 CD1 ILE A 101 4.937 -2.147 -7.501 1.00 0.00 C ATOM 0 H ILE A 101 2.865 0.173 -4.474 1.00 0.00 H new ATOM 0 HA ILE A 101 5.543 -0.686 -5.216 1.00 0.00 H new ATOM 0 HB ILE A 101 3.279 0.764 -6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.229 -1.740 -6.303 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.104 -1.172 -7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.650 0.826 -8.649 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.326 1.838 -7.351 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.054 0.256 -7.717 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.557 -3.122 -7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.481 -1.693 -8.329 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.608 -2.270 -6.651 1.00 0.00 H new ATOM 269 N TRP A 102 6.673 1.376 -4.534 1.00 0.00 N ATOM 270 CA TRP A 102 7.395 2.571 -4.213 1.00 0.00 C ATOM 271 C TRP A 102 7.584 3.313 -5.469 1.00 0.00 C ATOM 272 O TRP A 102 8.245 2.830 -6.367 1.00 0.00 O ATOM 273 CB TRP A 102 8.758 2.263 -3.611 1.00 0.00 C ATOM 274 CG TRP A 102 9.367 3.425 -2.871 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.693 4.419 -2.226 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.761 3.702 -2.681 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.578 5.275 -1.627 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.854 4.859 -1.895 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.930 3.086 -3.092 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.080 5.405 -1.518 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.137 3.630 -2.725 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.199 4.780 -1.941 1.00 0.00 C ATOM 0 H TRP A 102 7.216 0.516 -4.450 1.00 0.00 H new ATOM 0 HA TRP A 102 6.833 3.146 -3.476 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.662 1.419 -2.929 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.436 1.954 -4.407 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.618 4.517 -2.192 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.327 6.092 -1.070 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.894 2.190 -3.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.133 6.296 -0.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 14.053 3.158 -3.050 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.164 5.180 -1.666 1.00 0.00 H new ATOM 293 N SER A 103 7.042 4.481 -5.521 1.00 0.00 N ATOM 294 CA SER A 103 7.061 5.313 -6.686 1.00 0.00 C ATOM 295 C SER A 103 8.480 5.633 -7.142 1.00 0.00 C ATOM 296 O SER A 103 8.743 5.918 -8.313 1.00 0.00 O ATOM 297 CB SER A 103 6.369 6.575 -6.318 1.00 0.00 C ATOM 298 OG SER A 103 5.003 6.352 -6.017 1.00 0.00 O ATOM 0 H SER A 103 6.556 4.902 -4.729 1.00 0.00 H new ATOM 0 HA SER A 103 6.572 4.795 -7.511 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.863 7.024 -5.456 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.450 7.288 -7.139 1.00 0.00 H new ATOM 0 HG SER A 103 4.738 6.916 -5.260 1.00 0.00 H new ATOM 304 N GLU A 104 9.380 5.537 -6.222 1.00 0.00 N ATOM 305 CA GLU A 104 10.721 5.928 -6.426 1.00 0.00 C ATOM 306 C GLU A 104 11.529 4.847 -7.129 1.00 0.00 C ATOM 307 O GLU A 104 12.341 5.152 -8.009 1.00 0.00 O ATOM 308 CB GLU A 104 11.276 6.229 -5.085 1.00 0.00 C ATOM 309 CG GLU A 104 10.380 7.186 -4.315 1.00 0.00 C ATOM 310 CD GLU A 104 10.459 8.617 -4.753 1.00 0.00 C ATOM 311 OE1 GLU A 104 9.702 9.018 -5.661 1.00 0.00 O ATOM 312 OE2 GLU A 104 11.246 9.385 -4.184 1.00 0.00 O ATOM 0 H GLU A 104 9.192 5.175 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 104 10.770 6.800 -7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.391 5.303 -4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.270 6.664 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.348 6.849 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.638 7.130 -3.257 1.00 0.00 H new ATOM 319 N ASP A 105 11.301 3.592 -6.766 1.00 0.00 N ATOM 320 CA ASP A 105 12.082 2.495 -7.356 1.00 0.00 C ATOM 321 C ASP A 105 11.200 1.681 -8.305 1.00 0.00 C ATOM 322 O ASP A 105 11.680 0.943 -9.155 1.00 0.00 O ATOM 323 CB ASP A 105 12.586 1.595 -6.217 1.00 0.00 C ATOM 324 CG ASP A 105 13.616 0.564 -6.632 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.257 -0.493 -7.154 1.00 0.00 O ATOM 326 OD2 ASP A 105 14.816 0.791 -6.395 1.00 0.00 O ATOM 0 H ASP A 105 10.600 3.304 -6.083 1.00 0.00 H new ATOM 0 HA ASP A 105 12.924 2.896 -7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.016 2.225 -5.438 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.733 1.079 -5.776 1.00 0.00 H new ATOM 331 N GLY A 106 9.896 1.866 -8.166 1.00 0.00 N ATOM 332 CA GLY A 106 8.908 1.199 -9.008 1.00 0.00 C ATOM 333 C GLY A 106 8.599 -0.199 -8.520 1.00 0.00 C ATOM 334 O GLY A 106 7.708 -0.867 -9.030 1.00 0.00 O ATOM 0 H GLY A 106 9.489 2.485 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.991 1.788 -9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.277 1.152 -10.032 1.00 0.00 H new ATOM 338 N CYS A 107 9.335 -0.624 -7.542 1.00 0.00 N ATOM 339 CA CYS A 107 9.264 -1.939 -7.026 1.00 0.00 C ATOM 340 C CYS A 107 8.280 -2.109 -5.875 1.00 0.00 C ATOM 341 O CYS A 107 7.798 -1.128 -5.297 1.00 0.00 O ATOM 342 CB CYS A 107 10.639 -2.354 -6.658 1.00 0.00 C ATOM 343 SG CYS A 107 11.689 -2.706 -8.075 1.00 0.00 S ATOM 0 H CYS A 107 10.024 -0.038 -7.070 1.00 0.00 H new ATOM 0 HA CYS A 107 8.862 -2.592 -7.801 1.00 0.00 H new ATOM 0 HB2 CYS A 107 11.100 -1.566 -6.062 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.585 -3.241 -6.027 1.00 0.00 H new ATOM 0 HG CYS A 107 12.687 -1.873 -8.093 1.00 0.00 H new ATOM 349 N ILE A 108 8.005 -3.363 -5.549 1.00 0.00 N ATOM 350 CA ILE A 108 7.093 -3.721 -4.485 1.00 0.00 C ATOM 351 C ILE A 108 7.825 -3.800 -3.164 1.00 0.00 C ATOM 352 O ILE A 108 8.887 -4.422 -3.062 1.00 0.00 O ATOM 353 CB ILE A 108 6.450 -5.094 -4.730 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.898 -5.167 -6.143 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.347 -5.314 -3.706 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.232 -6.487 -6.497 1.00 0.00 C ATOM 0 H ILE A 108 8.416 -4.166 -6.024 1.00 0.00 H new ATOM 0 HA ILE A 108 6.324 -2.949 -4.461 1.00 0.00 H new ATOM 0 HB ILE A 108 7.199 -5.878 -4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.175 -4.363 -6.278 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.711 -4.986 -6.846 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.885 -6.287 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.770 -5.281 -2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.594 -4.532 -3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.868 -6.447 -7.524 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.955 -7.297 -6.399 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.395 -6.664 -5.822 1.00 0.00 H new ATOM 368 N TYR A 109 7.267 -3.184 -2.170 1.00 0.00 N ATOM 369 CA TYR A 109 7.824 -3.166 -0.842 1.00 0.00 C ATOM 370 C TYR A 109 6.720 -3.305 0.192 1.00 0.00 C ATOM 371 O TYR A 109 5.565 -2.937 -0.083 1.00 0.00 O ATOM 372 CB TYR A 109 8.598 -1.885 -0.612 1.00 0.00 C ATOM 373 CG TYR A 109 9.855 -1.760 -1.435 1.00 0.00 C ATOM 374 CD1 TYR A 109 11.064 -2.220 -0.947 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.836 -1.158 -2.686 1.00 0.00 C ATOM 376 CE1 TYR A 109 12.219 -2.081 -1.670 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.992 -1.021 -3.419 1.00 0.00 C ATOM 378 CZ TYR A 109 12.182 -1.479 -2.905 1.00 0.00 C ATOM 379 OH TYR A 109 13.341 -1.335 -3.629 1.00 0.00 O ATOM 0 H TYR A 109 6.392 -2.666 -2.255 1.00 0.00 H new ATOM 0 HA TYR A 109 8.508 -4.009 -0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.948 -1.038 -0.832 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.861 -1.819 0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.098 -2.697 0.021 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.903 -0.793 -3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 109 13.155 -2.443 -1.271 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.965 -0.556 -4.393 1.00 0.00 H new ATOM 0 HH TYR A 109 13.121 -1.118 -4.559 1.00 0.00 H new ATOM 389 N PRO A 110 7.039 -3.862 1.379 1.00 0.00 N ATOM 390 CA PRO A 110 6.061 -4.037 2.450 1.00 0.00 C ATOM 391 C PRO A 110 5.661 -2.693 3.060 1.00 0.00 C ATOM 392 O PRO A 110 6.518 -1.870 3.417 1.00 0.00 O ATOM 393 CB PRO A 110 6.803 -4.890 3.489 1.00 0.00 C ATOM 394 CG PRO A 110 8.248 -4.617 3.249 1.00 0.00 C ATOM 395 CD PRO A 110 8.387 -4.337 1.779 1.00 0.00 C ATOM 0 HA PRO A 110 5.138 -4.496 2.095 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.513 -4.617 4.504 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.575 -5.949 3.366 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.586 -3.766 3.840 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.859 -5.471 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.150 -3.583 1.586 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.676 -5.231 1.227 1.00 0.00 H new ATOM 403 N ALA A 111 4.389 -2.467 3.178 1.00 0.00 N ATOM 404 CA ALA A 111 3.897 -1.238 3.714 1.00 0.00 C ATOM 405 C ALA A 111 2.641 -1.480 4.509 1.00 0.00 C ATOM 406 O ALA A 111 1.880 -2.379 4.216 1.00 0.00 O ATOM 407 CB ALA A 111 3.642 -0.247 2.606 1.00 0.00 C ATOM 0 H ALA A 111 3.663 -3.130 2.905 1.00 0.00 H new ATOM 0 HA ALA A 111 4.652 -0.821 4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.267 0.685 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.571 -0.054 2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.903 -0.655 1.916 1.00 0.00 H new ATOM 413 N THR A 112 2.417 -0.693 5.491 1.00 0.00 N ATOM 414 CA THR A 112 1.261 -0.868 6.322 1.00 0.00 C ATOM 415 C THR A 112 0.366 0.357 6.217 1.00 0.00 C ATOM 416 O THR A 112 0.858 1.485 6.214 1.00 0.00 O ATOM 417 CB THR A 112 1.670 -1.134 7.781 1.00 0.00 C ATOM 418 OG1 THR A 112 2.619 -2.230 7.803 1.00 0.00 O ATOM 419 CG2 THR A 112 0.453 -1.527 8.613 1.00 0.00 C ATOM 0 H THR A 112 3.017 0.090 5.751 1.00 0.00 H new ATOM 0 HA THR A 112 0.704 -1.738 5.976 1.00 0.00 H new ATOM 0 HB THR A 112 2.110 -0.229 8.199 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.510 -1.896 7.570 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.760 -1.712 9.642 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.278 -0.719 8.592 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.007 -2.431 8.200 1.00 0.00 H new ATOM 427 N ILE A 113 -0.923 0.126 6.096 1.00 0.00 N ATOM 428 CA ILE A 113 -1.896 1.182 5.926 1.00 0.00 C ATOM 429 C ILE A 113 -1.974 2.063 7.167 1.00 0.00 C ATOM 430 O ILE A 113 -2.250 1.579 8.280 1.00 0.00 O ATOM 431 CB ILE A 113 -3.274 0.582 5.626 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.166 -0.342 4.413 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.284 1.693 5.357 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.356 -1.229 4.224 1.00 0.00 C ATOM 0 H ILE A 113 -1.329 -0.810 6.113 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.580 1.802 5.087 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.616 0.009 6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.030 0.264 3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.275 -0.961 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.259 1.255 5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.358 2.337 6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.957 2.282 4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.207 -1.855 3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.482 -1.861 5.103 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.248 -0.617 4.087 1.00 0.00 H new ATOM 446 N ALA A 114 -1.724 3.333 6.965 1.00 0.00 N ATOM 447 CA ALA A 114 -1.730 4.316 8.019 1.00 0.00 C ATOM 448 C ALA A 114 -3.034 5.096 8.026 1.00 0.00 C ATOM 449 O ALA A 114 -3.511 5.495 9.079 1.00 0.00 O ATOM 450 CB ALA A 114 -0.562 5.265 7.846 1.00 0.00 C ATOM 0 H ALA A 114 -1.507 3.719 6.046 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.636 3.797 8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.573 6.005 8.646 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.372 4.704 7.884 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.643 5.770 6.883 1.00 0.00 H new ATOM 456 N SER A 115 -3.592 5.333 6.853 1.00 0.00 N ATOM 457 CA SER A 115 -4.849 6.048 6.734 1.00 0.00 C ATOM 458 C SER A 115 -5.451 5.756 5.364 1.00 0.00 C ATOM 459 O SER A 115 -4.712 5.484 4.431 1.00 0.00 O ATOM 460 CB SER A 115 -4.603 7.561 6.915 1.00 0.00 C ATOM 461 OG SER A 115 -3.666 8.064 5.951 1.00 0.00 O ATOM 0 H SER A 115 -3.191 5.038 5.963 1.00 0.00 H new ATOM 0 HA SER A 115 -5.546 5.721 7.506 1.00 0.00 H new ATOM 0 HB2 SER A 115 -5.547 8.097 6.820 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.228 7.751 7.921 1.00 0.00 H new ATOM 0 HG SER A 115 -3.535 9.025 6.093 1.00 0.00 H new ATOM 467 N ILE A 116 -6.764 5.787 5.247 1.00 0.00 N ATOM 468 CA ILE A 116 -7.440 5.526 3.990 1.00 0.00 C ATOM 469 C ILE A 116 -8.394 6.650 3.671 1.00 0.00 C ATOM 470 O ILE A 116 -9.158 7.084 4.526 1.00 0.00 O ATOM 471 CB ILE A 116 -8.269 4.212 4.039 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.381 3.011 4.326 1.00 0.00 C ATOM 473 CG2 ILE A 116 -9.052 4.003 2.740 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.133 1.721 4.413 1.00 0.00 C ATOM 0 H ILE A 116 -7.394 5.994 6.022 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.664 5.438 3.229 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.985 4.307 4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.627 2.931 3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.850 3.177 5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.622 3.076 2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.735 4.839 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.358 3.945 1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.437 0.908 4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -8.869 1.782 5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.642 1.532 3.468 1.00 0.00 H new ATOM 486 N ASP A 117 -8.353 7.109 2.466 1.00 0.00 N ATOM 487 CA ASP A 117 -9.292 8.067 1.999 1.00 0.00 C ATOM 488 C ASP A 117 -10.199 7.385 1.035 1.00 0.00 C ATOM 489 O ASP A 117 -9.827 7.103 -0.096 1.00 0.00 O ATOM 490 CB ASP A 117 -8.645 9.266 1.353 1.00 0.00 C ATOM 491 CG ASP A 117 -9.690 10.280 0.973 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.257 10.930 1.878 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.966 10.443 -0.218 1.00 0.00 O ATOM 0 H ASP A 117 -7.660 6.826 1.773 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.844 8.454 2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.926 9.714 2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.090 8.956 0.468 1.00 0.00 H new ATOM 498 N PHE A 118 -11.377 7.094 1.486 1.00 0.00 N ATOM 499 CA PHE A 118 -12.351 6.369 0.704 1.00 0.00 C ATOM 500 C PHE A 118 -12.922 7.233 -0.400 1.00 0.00 C ATOM 501 O PHE A 118 -13.564 6.734 -1.317 1.00 0.00 O ATOM 502 CB PHE A 118 -13.480 5.850 1.598 1.00 0.00 C ATOM 503 CG PHE A 118 -13.048 4.830 2.626 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.879 3.503 2.274 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.822 5.200 3.943 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.493 2.564 3.213 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.436 4.267 4.885 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.270 2.947 4.520 1.00 0.00 C ATOM 0 H PHE A 118 -11.702 7.352 2.418 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.842 5.521 0.246 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.936 6.695 2.113 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.251 5.407 0.967 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -13.051 3.196 1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.950 6.232 4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.366 1.531 2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -12.264 4.571 5.907 1.00 0.00 H new ATOM 0 HZ PHE A 118 -11.967 2.216 5.255 1.00 0.00 H new ATOM 518 N LYS A 119 -12.687 8.523 -0.294 1.00 0.00 N ATOM 519 CA LYS A 119 -13.181 9.489 -1.255 1.00 0.00 C ATOM 520 C LYS A 119 -12.376 9.388 -2.557 1.00 0.00 C ATOM 521 O LYS A 119 -12.938 9.453 -3.652 1.00 0.00 O ATOM 522 CB LYS A 119 -13.061 10.894 -0.666 1.00 0.00 C ATOM 523 CG LYS A 119 -13.572 10.986 0.765 1.00 0.00 C ATOM 524 CD LYS A 119 -13.430 12.382 1.323 1.00 0.00 C ATOM 525 CE LYS A 119 -13.688 12.409 2.827 1.00 0.00 C ATOM 526 NZ LYS A 119 -12.644 11.674 3.585 1.00 0.00 N ATOM 0 H LYS A 119 -12.145 8.935 0.465 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.228 9.282 -1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.017 11.205 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.618 11.592 -1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.620 10.687 0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -13.021 10.286 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.428 12.757 1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.130 13.049 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -13.724 13.443 3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -14.664 11.970 3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -13.041 10.785 3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -11.843 11.463 2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.316 12.259 4.380 1.00 0.00 H new ATOM 540 N ARG A 120 -11.061 9.226 -2.427 1.00 0.00 N ATOM 541 CA ARG A 120 -10.175 9.029 -3.576 1.00 0.00 C ATOM 542 C ARG A 120 -9.864 7.572 -3.786 1.00 0.00 C ATOM 543 O ARG A 120 -9.197 7.206 -4.767 1.00 0.00 O ATOM 544 CB ARG A 120 -8.872 9.787 -3.373 1.00 0.00 C ATOM 545 CG ARG A 120 -9.044 11.275 -3.319 1.00 0.00 C ATOM 546 CD ARG A 120 -9.592 11.774 -4.636 1.00 0.00 C ATOM 547 NE ARG A 120 -9.782 13.219 -4.686 1.00 0.00 N ATOM 548 CZ ARG A 120 -10.212 13.880 -5.763 1.00 0.00 C ATOM 549 NH1 ARG A 120 -10.350 13.245 -6.933 1.00 0.00 N ATOM 550 NH2 ARG A 120 -10.469 15.179 -5.677 1.00 0.00 N ATOM 0 H ARG A 120 -10.580 9.227 -1.528 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.693 9.408 -4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.406 9.450 -2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.187 9.538 -4.183 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.721 11.543 -2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.088 11.754 -3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.914 11.478 -5.436 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.546 11.285 -4.830 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.573 13.758 -3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.126 12.252 -7.004 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.679 13.754 -7.754 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -10.338 15.667 -4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -10.798 15.689 -6.497 1.00 0.00 H new ATOM 564 N GLU A 121 -10.322 6.748 -2.850 1.00 0.00 N ATOM 565 CA GLU A 121 -10.083 5.302 -2.848 1.00 0.00 C ATOM 566 C GLU A 121 -8.581 5.037 -2.703 1.00 0.00 C ATOM 567 O GLU A 121 -8.053 4.016 -3.166 1.00 0.00 O ATOM 568 CB GLU A 121 -10.627 4.649 -4.125 1.00 0.00 C ATOM 569 CG GLU A 121 -12.101 4.888 -4.373 1.00 0.00 C ATOM 570 CD GLU A 121 -12.549 4.291 -5.668 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.378 4.928 -6.719 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.081 3.153 -5.663 1.00 0.00 O ATOM 0 H GLU A 121 -10.879 7.067 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.611 4.859 -2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.062 5.024 -4.979 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.450 3.575 -4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.681 4.460 -3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.300 5.960 -4.379 1.00 0.00 H new ATOM 579 N THR A 122 -7.908 5.938 -2.045 1.00 0.00 N ATOM 580 CA THR A 122 -6.501 5.826 -1.845 1.00 0.00 C ATOM 581 C THR A 122 -6.197 5.714 -0.363 1.00 0.00 C ATOM 582 O THR A 122 -7.055 5.959 0.464 1.00 0.00 O ATOM 583 CB THR A 122 -5.754 7.029 -2.445 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.285 8.244 -1.895 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.873 7.064 -3.963 1.00 0.00 C ATOM 0 H THR A 122 -8.326 6.772 -1.633 1.00 0.00 H new ATOM 0 HA THR A 122 -6.157 4.926 -2.355 1.00 0.00 H new ATOM 0 HB THR A 122 -4.698 6.930 -2.192 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.808 9.011 -2.276 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.333 7.928 -4.351 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.448 6.152 -4.382 1.00 0.00 H new ATOM 0 HG23 THR A 122 -6.924 7.137 -4.244 1.00 0.00 H new ATOM 593 N CYS A 123 -5.015 5.320 -0.039 1.00 0.00 N ATOM 594 CA CYS A 123 -4.604 5.197 1.318 1.00 0.00 C ATOM 595 C CYS A 123 -3.137 5.479 1.444 1.00 0.00 C ATOM 596 O CYS A 123 -2.377 5.270 0.505 1.00 0.00 O ATOM 597 CB CYS A 123 -4.907 3.803 1.820 1.00 0.00 C ATOM 598 SG CYS A 123 -4.252 2.505 0.760 1.00 0.00 S ATOM 0 H CYS A 123 -4.296 5.070 -0.718 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.152 5.922 1.920 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.493 3.687 2.822 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.987 3.682 1.905 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.269 1.907 1.364 1.00 0.00 H new ATOM 604 N VAL A 124 -2.745 5.938 2.578 1.00 0.00 N ATOM 605 CA VAL A 124 -1.375 6.186 2.850 1.00 0.00 C ATOM 606 C VAL A 124 -0.831 4.988 3.567 1.00 0.00 C ATOM 607 O VAL A 124 -1.433 4.509 4.537 1.00 0.00 O ATOM 608 CB VAL A 124 -1.174 7.448 3.715 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.298 7.662 4.018 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.735 8.657 3.007 1.00 0.00 C ATOM 0 H VAL A 124 -3.373 6.154 3.352 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.851 6.360 1.910 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.705 7.307 4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.417 8.557 4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.687 6.799 4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.848 7.784 3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.588 9.542 3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.222 8.791 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.800 8.512 2.828 1.00 0.00 H new ATOM 620 N VAL A 125 0.271 4.502 3.105 1.00 0.00 N ATOM 621 CA VAL A 125 0.882 3.355 3.677 1.00 0.00 C ATOM 622 C VAL A 125 2.300 3.711 4.079 1.00 0.00 C ATOM 623 O VAL A 125 2.940 4.572 3.461 1.00 0.00 O ATOM 624 CB VAL A 125 0.903 2.152 2.679 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.500 1.760 2.232 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.786 2.449 1.477 1.00 0.00 C ATOM 0 H VAL A 125 0.777 4.895 2.311 1.00 0.00 H new ATOM 0 HA VAL A 125 0.301 3.049 4.547 1.00 0.00 H new ATOM 0 HB VAL A 125 1.328 1.302 3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.440 0.920 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.092 1.472 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.974 2.607 1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.780 1.594 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.406 3.327 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.805 2.639 1.813 1.00 0.00 H new ATOM 636 N VAL A 126 2.751 3.106 5.122 1.00 0.00 N ATOM 637 CA VAL A 126 4.069 3.316 5.636 1.00 0.00 C ATOM 638 C VAL A 126 4.922 2.118 5.312 1.00 0.00 C ATOM 639 O VAL A 126 4.566 0.992 5.655 1.00 0.00 O ATOM 640 CB VAL A 126 4.039 3.561 7.166 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.446 3.554 7.755 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.339 4.887 7.466 1.00 0.00 C ATOM 0 H VAL A 126 2.203 2.433 5.658 1.00 0.00 H new ATOM 0 HA VAL A 126 4.493 4.205 5.168 1.00 0.00 H new ATOM 0 HB VAL A 126 3.481 2.749 7.633 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.391 3.728 8.830 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.914 2.588 7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.039 4.341 7.289 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.321 5.053 8.543 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.879 5.701 6.982 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.318 4.853 7.087 1.00 0.00 H new ATOM 652 N TYR A 127 6.020 2.355 4.636 1.00 0.00 N ATOM 653 CA TYR A 127 6.923 1.305 4.242 1.00 0.00 C ATOM 654 C TYR A 127 7.662 0.783 5.424 1.00 0.00 C ATOM 655 O TYR A 127 8.492 1.494 6.046 1.00 0.00 O ATOM 656 CB TYR A 127 7.884 1.761 3.174 1.00 0.00 C ATOM 657 CG TYR A 127 7.216 2.068 1.874 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.812 1.042 1.033 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.971 3.372 1.488 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.192 1.308 -0.156 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.342 3.646 0.307 1.00 0.00 C ATOM 662 CZ TYR A 127 5.955 2.606 -0.513 1.00 0.00 C ATOM 663 OH TYR A 127 5.292 2.863 -1.683 1.00 0.00 O ATOM 0 H TYR A 127 6.312 3.287 4.343 1.00 0.00 H new ATOM 0 HA TYR A 127 6.324 0.500 3.817 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.411 2.649 3.523 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.635 0.987 3.015 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.990 0.017 1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.281 4.185 2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.892 0.500 -0.807 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.149 4.668 0.017 1.00 0.00 H new ATOM 0 HH TYR A 127 5.391 3.810 -1.914 1.00 0.00 H new ATOM 673 N THR A 128 7.374 -0.436 5.722 1.00 0.00 N ATOM 674 CA THR A 128 7.891 -1.108 6.846 1.00 0.00 C ATOM 675 C THR A 128 9.390 -1.374 6.677 1.00 0.00 C ATOM 676 O THR A 128 9.848 -1.860 5.628 1.00 0.00 O ATOM 677 CB THR A 128 7.126 -2.420 7.018 1.00 0.00 C ATOM 678 OG1 THR A 128 5.709 -2.129 7.106 1.00 0.00 O ATOM 679 CG2 THR A 128 7.587 -3.151 8.259 1.00 0.00 C ATOM 0 H THR A 128 6.744 -1.010 5.161 1.00 0.00 H new ATOM 0 HA THR A 128 7.767 -0.489 7.735 1.00 0.00 H new ATOM 0 HB THR A 128 7.319 -3.063 6.159 1.00 0.00 H new ATOM 0 HG1 THR A 128 5.210 -2.965 7.215 1.00 0.00 H new ATOM 0 HG21 THR A 128 7.029 -4.082 8.361 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.651 -3.373 8.176 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.414 -2.526 9.135 1.00 0.00 H new ATOM 687 N GLY A 129 10.144 -1.016 7.692 1.00 0.00 N ATOM 688 CA GLY A 129 11.562 -1.221 7.675 1.00 0.00 C ATOM 689 C GLY A 129 12.296 -0.008 7.179 1.00 0.00 C ATOM 690 O GLY A 129 13.525 0.053 7.243 1.00 0.00 O ATOM 0 H GLY A 129 9.789 -0.579 8.542 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.905 -1.468 8.680 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.798 -2.074 7.039 1.00 0.00 H new ATOM 694 N TYR A 130 11.562 0.954 6.649 1.00 0.00 N ATOM 695 CA TYR A 130 12.175 2.156 6.158 1.00 0.00 C ATOM 696 C TYR A 130 11.673 3.357 6.914 1.00 0.00 C ATOM 697 O TYR A 130 12.458 4.132 7.460 1.00 0.00 O ATOM 698 CB TYR A 130 11.923 2.309 4.681 1.00 0.00 C ATOM 699 CG TYR A 130 12.462 1.170 3.856 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.818 1.063 3.601 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.613 0.211 3.317 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.317 0.034 2.836 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.106 -0.818 2.545 1.00 0.00 C ATOM 704 CZ TYR A 130 13.460 -0.900 2.308 1.00 0.00 C ATOM 705 OH TYR A 130 13.965 -1.927 1.533 1.00 0.00 O ATOM 0 H TYR A 130 10.547 0.919 6.552 1.00 0.00 H new ATOM 0 HA TYR A 130 13.251 2.084 6.316 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.850 2.394 4.511 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.374 3.240 4.338 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.495 1.799 4.009 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.551 0.273 3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.379 -0.039 2.651 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.435 -1.555 2.129 1.00 0.00 H new ATOM 0 HH TYR A 130 13.487 -1.957 0.678 1.00 0.00 H new ATOM 715 N GLY A 131 10.368 3.504 6.977 1.00 0.00 N ATOM 716 CA GLY A 131 9.806 4.615 7.706 1.00 0.00 C ATOM 717 C GLY A 131 9.285 5.727 6.817 1.00 0.00 C ATOM 718 O GLY A 131 9.088 6.851 7.284 1.00 0.00 O ATOM 0 H GLY A 131 9.689 2.881 6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.992 4.252 8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.566 5.021 8.374 1.00 0.00 H new ATOM 722 N ASN A 132 9.067 5.440 5.546 1.00 0.00 N ATOM 723 CA ASN A 132 8.464 6.450 4.660 1.00 0.00 C ATOM 724 C ASN A 132 7.021 6.159 4.512 1.00 0.00 C ATOM 725 O ASN A 132 6.573 5.055 4.815 1.00 0.00 O ATOM 726 CB ASN A 132 9.053 6.519 3.239 1.00 0.00 C ATOM 727 CG ASN A 132 10.445 7.088 3.128 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.892 7.867 3.970 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.111 6.759 2.045 1.00 0.00 N ATOM 0 H ASN A 132 9.286 4.548 5.103 1.00 0.00 H new ATOM 0 HA ASN A 132 8.673 7.406 5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.059 5.513 2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.386 7.119 2.619 1.00 0.00 H new ATOM 0 HD21 ASN A 132 12.036 7.153 1.876 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.703 6.109 1.373 1.00 0.00 H new ATOM 736 N ARG A 133 6.297 7.099 4.009 1.00 0.00 N ATOM 737 CA ARG A 133 4.908 6.921 3.793 1.00 0.00 C ATOM 738 C ARG A 133 4.570 7.401 2.409 1.00 0.00 C ATOM 739 O ARG A 133 5.146 8.375 1.925 1.00 0.00 O ATOM 740 CB ARG A 133 4.072 7.598 4.913 1.00 0.00 C ATOM 741 CG ARG A 133 4.110 9.127 4.995 1.00 0.00 C ATOM 742 CD ARG A 133 3.160 9.784 4.009 1.00 0.00 C ATOM 743 NE ARG A 133 3.053 11.229 4.221 1.00 0.00 N ATOM 744 CZ ARG A 133 2.556 12.120 3.352 1.00 0.00 C ATOM 745 NH1 ARG A 133 2.270 11.773 2.102 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.397 13.376 3.730 1.00 0.00 N ATOM 0 H ARG A 133 6.655 8.014 3.736 1.00 0.00 H new ATOM 0 HA ARG A 133 4.647 5.864 3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.033 7.293 4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.408 7.201 5.871 1.00 0.00 H new ATOM 0 HG2 ARG A 133 3.853 9.440 6.007 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.125 9.473 4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.505 9.592 2.993 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.173 9.331 4.102 1.00 0.00 H new ATOM 0 HE ARG A 133 3.388 11.591 5.114 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.428 10.815 1.790 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.892 12.465 1.454 1.00 0.00 H new ATOM 0 HH21 ARG A 133 2.652 13.660 4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.020 14.062 3.076 1.00 0.00 H new ATOM 760 N GLU A 134 3.689 6.718 1.774 1.00 0.00 N ATOM 761 CA GLU A 134 3.305 7.020 0.446 1.00 0.00 C ATOM 762 C GLU A 134 1.832 6.714 0.263 1.00 0.00 C ATOM 763 O GLU A 134 1.293 5.851 0.953 1.00 0.00 O ATOM 764 CB GLU A 134 4.218 6.254 -0.516 1.00 0.00 C ATOM 765 CG GLU A 134 3.800 6.276 -1.945 1.00 0.00 C ATOM 766 CD GLU A 134 4.962 6.156 -2.895 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.507 5.062 -3.098 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.342 7.185 -3.474 1.00 0.00 O ATOM 0 H GLU A 134 3.204 5.915 2.174 1.00 0.00 H new ATOM 0 HA GLU A 134 3.426 8.081 0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.224 6.668 -0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.275 5.216 -0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.102 5.459 -2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.265 7.204 -2.148 1.00 0.00 H new ATOM 775 N GLU A 135 1.187 7.420 -0.625 1.00 0.00 N ATOM 776 CA GLU A 135 -0.222 7.266 -0.840 1.00 0.00 C ATOM 777 C GLU A 135 -0.455 6.446 -2.082 1.00 0.00 C ATOM 778 O GLU A 135 -0.018 6.800 -3.175 1.00 0.00 O ATOM 779 CB GLU A 135 -0.890 8.620 -0.964 1.00 0.00 C ATOM 780 CG GLU A 135 -2.383 8.547 -1.179 1.00 0.00 C ATOM 781 CD GLU A 135 -2.992 9.896 -1.322 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.003 10.440 -2.443 1.00 0.00 O ATOM 783 OE2 GLU A 135 -3.475 10.448 -0.329 1.00 0.00 O ATOM 0 H GLU A 135 1.628 8.121 -1.221 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.659 6.750 0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.690 9.197 -0.061 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.439 9.162 -1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.592 7.958 -2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.845 8.028 -0.339 1.00 0.00 H new ATOM 790 N GLN A 136 -1.138 5.367 -1.902 1.00 0.00 N ATOM 791 CA GLN A 136 -1.375 4.395 -2.928 1.00 0.00 C ATOM 792 C GLN A 136 -2.861 4.186 -3.037 1.00 0.00 C ATOM 793 O GLN A 136 -3.594 4.564 -2.146 1.00 0.00 O ATOM 794 CB GLN A 136 -0.714 3.089 -2.508 1.00 0.00 C ATOM 795 CG GLN A 136 0.747 3.258 -2.122 1.00 0.00 C ATOM 796 CD GLN A 136 1.661 3.446 -3.310 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.251 3.919 -4.370 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.904 3.179 -3.119 1.00 0.00 N ATOM 0 H GLN A 136 -1.564 5.124 -1.007 1.00 0.00 H new ATOM 0 HA GLN A 136 -0.971 4.726 -3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.260 2.667 -1.664 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.787 2.372 -3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.843 4.118 -1.459 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.070 2.383 -1.559 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.211 2.788 -2.228 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.584 3.359 -3.858 1.00 0.00 H new ATOM 807 N ASN A 137 -3.300 3.611 -4.100 1.00 0.00 N ATOM 808 CA ASN A 137 -4.723 3.335 -4.281 1.00 0.00 C ATOM 809 C ASN A 137 -5.024 2.026 -3.625 1.00 0.00 C ATOM 810 O ASN A 137 -4.212 1.115 -3.687 1.00 0.00 O ATOM 811 CB ASN A 137 -5.080 3.199 -5.759 1.00 0.00 C ATOM 812 CG ASN A 137 -4.702 4.387 -6.612 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.518 5.275 -6.859 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.461 4.435 -7.032 1.00 0.00 N ATOM 0 H ASN A 137 -2.708 3.312 -4.875 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.294 4.158 -3.851 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.588 2.312 -6.157 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.154 3.034 -5.846 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.140 5.229 -7.585 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.816 3.678 -6.805 1.00 0.00 H new ATOM 821 N LEU A 138 -6.179 1.922 -3.029 1.00 0.00 N ATOM 822 CA LEU A 138 -6.636 0.680 -2.379 1.00 0.00 C ATOM 823 C LEU A 138 -6.672 -0.468 -3.381 1.00 0.00 C ATOM 824 O LEU A 138 -6.298 -1.588 -3.084 1.00 0.00 O ATOM 825 CB LEU A 138 -8.027 0.902 -1.806 1.00 0.00 C ATOM 826 CG LEU A 138 -8.121 1.952 -0.713 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.557 2.334 -0.489 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.523 1.433 0.575 1.00 0.00 C ATOM 0 H LEU A 138 -6.849 2.689 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 138 -5.941 0.420 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.695 1.187 -2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.394 -0.045 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.560 2.831 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.615 3.087 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.974 2.739 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.125 1.453 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.599 2.199 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.064 0.542 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.474 1.183 0.415 1.00 0.00 H new ATOM 840 N SER A 139 -7.076 -0.153 -4.572 1.00 0.00 N ATOM 841 CA SER A 139 -7.174 -1.105 -5.635 1.00 0.00 C ATOM 842 C SER A 139 -5.809 -1.377 -6.293 1.00 0.00 C ATOM 843 O SER A 139 -5.668 -2.301 -7.090 1.00 0.00 O ATOM 844 CB SER A 139 -8.166 -0.552 -6.627 1.00 0.00 C ATOM 845 OG SER A 139 -7.938 0.848 -6.797 1.00 0.00 O ATOM 0 H SER A 139 -7.353 0.792 -4.838 1.00 0.00 H new ATOM 0 HA SER A 139 -7.509 -2.068 -5.250 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.066 -1.066 -7.583 1.00 0.00 H new ATOM 0 HB3 SER A 139 -9.183 -0.726 -6.276 1.00 0.00 H new ATOM 0 HG SER A 139 -8.581 1.208 -7.443 1.00 0.00 H new ATOM 851 N ASP A 140 -4.809 -0.592 -5.925 1.00 0.00 N ATOM 852 CA ASP A 140 -3.469 -0.703 -6.517 1.00 0.00 C ATOM 853 C ASP A 140 -2.552 -1.370 -5.508 1.00 0.00 C ATOM 854 O ASP A 140 -1.405 -1.716 -5.809 1.00 0.00 O ATOM 855 CB ASP A 140 -2.935 0.699 -6.863 1.00 0.00 C ATOM 856 CG ASP A 140 -1.715 0.736 -7.769 1.00 0.00 C ATOM 857 OD1 ASP A 140 -0.561 0.619 -7.289 1.00 0.00 O ATOM 858 OD2 ASP A 140 -1.886 0.972 -8.978 1.00 0.00 O ATOM 0 H ASP A 140 -4.893 0.136 -5.215 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.511 -1.296 -7.431 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.736 1.265 -7.339 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.690 1.214 -5.934 1.00 0.00 H new ATOM 863 N LEU A 141 -3.071 -1.547 -4.298 1.00 0.00 N ATOM 864 CA LEU A 141 -2.339 -2.192 -3.242 1.00 0.00 C ATOM 865 C LEU A 141 -2.094 -3.624 -3.572 1.00 0.00 C ATOM 866 O LEU A 141 -2.792 -4.230 -4.394 1.00 0.00 O ATOM 867 CB LEU A 141 -3.037 -2.090 -1.891 1.00 0.00 C ATOM 868 CG LEU A 141 -3.163 -0.702 -1.284 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.785 -0.791 0.088 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.811 -0.030 -1.203 1.00 0.00 C ATOM 0 H LEU A 141 -4.009 -1.245 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.389 -1.664 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.039 -2.507 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.500 -2.722 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.807 -0.101 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.871 0.209 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.776 -1.238 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.158 -1.408 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.923 0.962 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.144 -0.627 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.389 0.060 -2.204 1.00 0.00 H new ATOM 882 N LEU A 142 -1.113 -4.157 -2.955 1.00 0.00 N ATOM 883 CA LEU A 142 -0.697 -5.484 -3.209 1.00 0.00 C ATOM 884 C LEU A 142 -0.704 -6.232 -1.906 1.00 0.00 C ATOM 885 O LEU A 142 -0.702 -5.612 -0.832 1.00 0.00 O ATOM 886 CB LEU A 142 0.704 -5.436 -3.804 1.00 0.00 C ATOM 887 CG LEU A 142 0.865 -4.508 -5.012 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.311 -4.327 -5.365 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.078 -5.010 -6.211 1.00 0.00 C ATOM 0 H LEU A 142 -0.563 -3.676 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.361 -5.989 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.401 -5.121 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.991 -6.445 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 142 0.458 -3.537 -4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.395 -3.664 -6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.841 -3.891 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.750 -5.295 -5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.216 -4.327 -7.049 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.433 -6.002 -6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -0.980 -5.062 -5.956 1.00 0.00 H new ATOM 901 N SER A 143 -0.718 -7.523 -1.986 1.00 0.00 N ATOM 902 CA SER A 143 -0.757 -8.378 -0.825 1.00 0.00 C ATOM 903 C SER A 143 0.568 -8.278 -0.043 1.00 0.00 C ATOM 904 O SER A 143 1.655 -8.314 -0.640 1.00 0.00 O ATOM 905 CB SER A 143 -1.054 -9.804 -1.277 1.00 0.00 C ATOM 906 OG SER A 143 -2.206 -9.821 -2.130 1.00 0.00 O ATOM 0 H SER A 143 -0.703 -8.030 -2.871 1.00 0.00 H new ATOM 0 HA SER A 143 -1.548 -8.061 -0.146 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.193 -10.212 -1.807 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.225 -10.441 -0.409 1.00 0.00 H new ATOM 0 HG SER A 143 -2.388 -10.741 -2.416 1.00 0.00 H new ATOM 912 N PRO A 144 0.484 -8.161 1.294 1.00 0.00 N ATOM 913 CA PRO A 144 1.638 -7.888 2.164 1.00 0.00 C ATOM 914 C PRO A 144 2.709 -8.950 2.158 1.00 0.00 C ATOM 915 O PRO A 144 2.437 -10.144 2.035 1.00 0.00 O ATOM 916 CB PRO A 144 1.042 -7.782 3.554 1.00 0.00 C ATOM 917 CG PRO A 144 -0.243 -8.525 3.473 1.00 0.00 C ATOM 918 CD PRO A 144 -0.750 -8.326 2.080 1.00 0.00 C ATOM 0 HA PRO A 144 2.149 -6.992 1.813 1.00 0.00 H new ATOM 0 HB2 PRO A 144 1.704 -8.217 4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 144 0.881 -6.742 3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -0.095 -9.584 3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -0.957 -8.149 4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -1.334 -9.180 1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -1.394 -7.450 2.007 1.00 0.00 H new ATOM 926 N ILE A 145 3.916 -8.500 2.301 1.00 0.00 N ATOM 927 CA ILE A 145 5.057 -9.362 2.381 1.00 0.00 C ATOM 928 C ILE A 145 5.290 -9.693 3.854 1.00 0.00 C ATOM 929 O ILE A 145 4.844 -8.936 4.719 1.00 0.00 O ATOM 930 CB ILE A 145 6.314 -8.680 1.784 1.00 0.00 C ATOM 931 CG1 ILE A 145 6.006 -8.160 0.370 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.448 -9.679 1.737 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.156 -7.441 -0.308 1.00 0.00 C ATOM 0 H ILE A 145 4.142 -7.507 2.367 1.00 0.00 H new ATOM 0 HA ILE A 145 4.873 -10.269 1.806 1.00 0.00 H new ATOM 0 HB ILE A 145 6.603 -7.836 2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.704 -9.002 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.154 -7.482 0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.335 -9.204 1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.667 -10.029 2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.161 -10.526 1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 145 6.845 -7.111 -1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.446 -6.576 0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.005 -8.119 -0.401 1.00 0.00 H new ATOM 945 N CYS A 146 5.918 -10.854 4.124 1.00 0.00 N ATOM 946 CA CYS A 146 6.225 -11.356 5.466 1.00 0.00 C ATOM 947 C CYS A 146 4.966 -11.887 6.149 1.00 0.00 C ATOM 948 O CYS A 146 4.999 -12.439 7.252 1.00 0.00 O ATOM 949 CB CYS A 146 6.949 -10.285 6.280 1.00 0.00 C ATOM 950 SG CYS A 146 7.308 -10.686 8.006 1.00 0.00 S ATOM 0 H CYS A 146 6.233 -11.484 3.386 1.00 0.00 H new ATOM 0 HA CYS A 146 6.906 -12.203 5.388 1.00 0.00 H new ATOM 0 HB2 CYS A 146 7.890 -10.056 5.781 1.00 0.00 H new ATOM 0 HB3 CYS A 146 6.347 -9.376 6.259 1.00 0.00 H new ATOM 0 HG CYS A 146 6.494 -11.614 8.414 1.00 0.00 H new ATOM 956 N GLU A 147 3.884 -11.769 5.459 1.00 0.00 N ATOM 957 CA GLU A 147 2.623 -12.266 5.934 1.00 0.00 C ATOM 958 C GLU A 147 2.389 -13.610 5.276 1.00 0.00 C ATOM 959 O GLU A 147 2.900 -14.619 5.781 1.00 0.00 O ATOM 960 CB GLU A 147 1.479 -11.287 5.616 1.00 0.00 C ATOM 961 CG GLU A 147 1.578 -9.925 6.311 1.00 0.00 C ATOM 962 CD GLU A 147 1.423 -9.990 7.816 1.00 0.00 C ATOM 963 OE1 GLU A 147 0.277 -10.004 8.316 1.00 0.00 O ATOM 964 OE2 GLU A 147 2.435 -9.994 8.537 1.00 0.00 O ATOM 965 OXT GLU A 147 1.774 -13.660 4.199 1.00 0.00 O ATOM 0 H GLU A 147 3.841 -11.323 4.543 1.00 0.00 H new ATOM 0 HA GLU A 147 2.645 -12.372 7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 147 1.448 -11.126 4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 147 0.534 -11.753 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 147 2.543 -9.477 6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 147 0.812 -9.265 5.905 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 17.010 3.199 -3.095 1.00 0.00 N HETATM 974 CA 2MR A1148 16.673 3.561 -1.727 1.00 0.00 C HETATM 975 CB 2MR A1148 16.246 2.316 -0.957 1.00 0.00 C HETATM 976 CG 2MR A1148 15.973 2.502 0.530 1.00 0.00 C HETATM 977 CD 2MR A1148 14.616 3.107 0.768 1.00 0.00 C HETATM 978 NE 2MR A1148 13.571 2.215 0.254 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.287 2.304 0.517 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.868 3.310 1.348 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.535 3.675 1.835 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.477 1.404 -0.070 1.00 0.00 N HETATM 983 CQ2 2MR A1148 10.034 1.223 0.005 1.00 0.00 C HETATM 984 C 2MR A1148 17.876 4.172 -1.087 1.00 0.00 C HETATM 985 O 2MR A1148 17.809 5.327 -0.666 1.00 0.00 O HETATM 986 OXT 2MR A1148 18.904 3.492 -0.989 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.745 1.031 1.038 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.535 2.125 -0.350 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.741 0.377 -0.617 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 9.890 3.910 0.988 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 10.111 2.841 2.394 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 10.611 4.546 2.486 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.956 0.733 -0.671 1.00 0.00 H new HETATM 0 HG3 2MR A1148 16.037 1.539 1.036 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.740 3.143 0.965 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.868 1.458 -0.362 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.467 3.278 1.834 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.551 4.078 0.277 1.00 0.00 H new HETATM 0 HB3 2MR A1148 15.345 1.918 -1.423 1.00 0.00 H new HETATM 0 HB2 2MR A1148 17.023 1.560 -1.070 1.00 0.00 H new HETATM 0 HA 2MR A1148 15.849 4.275 -1.719 1.00 0.00 H new HETATM 0 H2 2MR A1148 17.318 3.917 -3.751 1.00 0.00 H new HETATM 0 H 2MR A1148 16.939 2.228 -3.398 1.00 0.00 H new