USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 942 hydrogens (6 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: A 126 HC4HO4' : A 126 HC4 O4' : A 126 HC4 C4' :(short bond) USER MOD Set 1.1: A 98 TYR OH : rot -3:sc= 0.165 USER MOD Set 1.2: A 100 MET CE :methyl 148:sc= -3.6! (180deg=-5.29!) USER MOD Set 2.1: A 89 ASN : amide:sc= -0.0329 K(o=-2.3,f=-4.1!) USER MOD Set 2.2: A 108 HIS : no HD1:sc= -2.31! C(o=-2.3!,f=-4.2!) USER MOD Set 3.1: A 72 SER OG : rot 104:sc= -0.059 USER MOD Set 3.2: A 94 TYR OH : rot -150:sc= 1.48 USER MOD Set 4.1: A 14 THR OG1 : rot 180:sc= -0.0296 USER MOD Set 4.2: A 18 MET CE :methyl -178:sc= -17! (180deg=-17.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 8 SER OG : rot -71:sc= -0.942 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -7.73! C(o=-7.7!,f=-13!) USER MOD Single : A 32 GLN : amide:sc= -1.84 X(o=-1.8,f=-1.3) USER MOD Single : A 38 ASN : amide:sc= -1.57! C(o=-1.6!,f=-3.7!) USER MOD Single : A 41 GLN : amide:sc= -8.12! K(o=-8.1!,f=-5.4) USER MOD Single : A 42 TYR OH : rot 125:sc= 0.229 USER MOD Single : A 43 ASN : amide:sc= -15! C(o=-15!,f=-24!) USER MOD Single : A 50 THR OG1 : rot -121:sc= -0.304 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.47) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0462 X(o=-0.046,f=0.088) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -63:sc= -0.605 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.137 X(o=0.14,f=0) USER MOD Single : A 90 THR OG1 : rot 150:sc= 0 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0186 USER MOD Single : A 99 GLN : amide:sc= -3.95 X(o=-3.9,f=-3.8) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0752 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0242) USER MOD Single : A 109 MET CE :methyl -162:sc= -0.759 (180deg=-1.83!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00618) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -32:sc= 0.0601 USER MOD Single : A 118 TYR OH : rot 180:sc= -3.79! USER MOD Single : A 123 LYS NZ :NH3+ 167:sc= 0.734 (180deg=0.585) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.259 3.280 16.410 1.00 0.00 N ATOM 2 CA MET A 1 17.944 3.867 16.026 1.00 0.00 C ATOM 3 C MET A 1 17.966 4.243 14.543 1.00 0.00 C ATOM 4 O MET A 1 18.684 5.132 14.130 1.00 0.00 O ATOM 5 CB MET A 1 17.679 5.118 16.866 1.00 0.00 C ATOM 6 CG MET A 1 16.542 4.841 17.852 1.00 0.00 C ATOM 7 SD MET A 1 16.955 5.552 19.465 1.00 0.00 S ATOM 8 CE MET A 1 16.533 4.109 20.473 1.00 0.00 C ATOM 0 H1 MET A 1 19.244 3.024 17.418 1.00 0.00 H new ATOM 0 H2 MET A 1 19.439 2.429 15.840 1.00 0.00 H new ATOM 0 H3 MET A 1 20.013 3.976 16.241 1.00 0.00 H new ATOM 0 HA MET A 1 17.155 3.137 16.203 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.581 5.404 17.406 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.417 5.955 16.218 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.612 5.271 17.481 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.382 3.767 17.946 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.716 4.333 21.524 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.481 3.862 20.332 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.148 3.261 20.170 1.00 0.00 H new ATOM 20 N GLU A 2 17.183 3.577 13.738 1.00 0.00 N ATOM 21 CA GLU A 2 17.162 3.902 12.283 1.00 0.00 C ATOM 22 C GLU A 2 15.792 4.470 11.904 1.00 0.00 C ATOM 23 O GLU A 2 14.864 3.740 11.620 1.00 0.00 O ATOM 24 CB GLU A 2 17.426 2.633 11.470 1.00 0.00 C ATOM 25 CG GLU A 2 17.562 2.996 9.989 1.00 0.00 C ATOM 26 CD GLU A 2 17.900 1.740 9.184 1.00 0.00 C ATOM 27 OE1 GLU A 2 19.077 1.447 9.047 1.00 0.00 O ATOM 28 OE2 GLU A 2 16.978 1.092 8.717 1.00 0.00 O ATOM 0 H GLU A 2 16.558 2.823 14.024 1.00 0.00 H new ATOM 0 HA GLU A 2 17.935 4.640 12.068 1.00 0.00 H new ATOM 0 HB2 GLU A 2 18.336 2.146 11.821 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.610 1.923 11.608 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.633 3.435 9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 2 18.342 3.746 9.858 1.00 0.00 H new ATOM 35 N HIS A 3 15.660 5.769 11.893 1.00 0.00 N ATOM 36 CA HIS A 3 14.352 6.382 11.526 1.00 0.00 C ATOM 37 C HIS A 3 14.061 6.097 10.050 1.00 0.00 C ATOM 38 O HIS A 3 14.518 6.800 9.172 1.00 0.00 O ATOM 39 CB HIS A 3 14.421 7.897 11.755 1.00 0.00 C ATOM 40 CG HIS A 3 13.121 8.534 11.346 1.00 0.00 C ATOM 41 ND1 HIS A 3 12.984 9.228 10.154 1.00 0.00 N ATOM 42 CD2 HIS A 3 11.895 8.593 11.958 1.00 0.00 C ATOM 43 CE1 HIS A 3 11.715 9.671 10.088 1.00 0.00 C ATOM 44 NE2 HIS A 3 11.007 9.312 11.162 1.00 0.00 N ATOM 0 H HIS A 3 16.401 6.431 12.122 1.00 0.00 H new ATOM 0 HA HIS A 3 13.558 5.959 12.142 1.00 0.00 H new ATOM 0 HB2 HIS A 3 14.625 8.106 12.805 1.00 0.00 H new ATOM 0 HB3 HIS A 3 15.243 8.324 11.180 1.00 0.00 H new ATOM 0 HD2 HIS A 3 11.655 8.149 12.913 1.00 0.00 H new ATOM 0 HE1 HIS A 3 11.317 10.247 9.266 1.00 0.00 H new ATOM 0 HE2 HIS A 3 10.028 9.520 11.357 1.00 0.00 H new ATOM 52 N VAL A 4 13.307 5.066 9.766 1.00 0.00 N ATOM 53 CA VAL A 4 12.999 4.744 8.343 1.00 0.00 C ATOM 54 C VAL A 4 11.527 4.339 8.202 1.00 0.00 C ATOM 55 O VAL A 4 11.220 3.277 7.702 1.00 0.00 O ATOM 56 CB VAL A 4 13.900 3.590 7.867 1.00 0.00 C ATOM 57 CG1 VAL A 4 13.525 2.290 8.588 1.00 0.00 C ATOM 58 CG2 VAL A 4 13.720 3.393 6.361 1.00 0.00 C ATOM 0 H VAL A 4 12.894 4.437 10.455 1.00 0.00 H new ATOM 0 HA VAL A 4 13.185 5.627 7.731 1.00 0.00 H new ATOM 0 HB VAL A 4 14.937 3.839 8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 4 14.170 1.483 8.242 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.652 2.420 9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.486 2.042 8.373 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.357 2.576 6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.678 3.153 6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.996 4.309 5.839 1.00 0.00 H new ATOM 68 N ALA A 5 10.608 5.168 8.630 1.00 0.00 N ATOM 69 CA ALA A 5 9.168 4.790 8.497 1.00 0.00 C ATOM 70 C ALA A 5 8.916 3.523 9.315 1.00 0.00 C ATOM 71 O ALA A 5 9.630 3.232 10.254 1.00 0.00 O ATOM 72 CB ALA A 5 8.875 4.491 7.024 1.00 0.00 C ATOM 0 H ALA A 5 10.788 6.076 9.059 1.00 0.00 H new ATOM 0 HA ALA A 5 8.530 5.600 8.852 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.827 4.213 6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.082 5.377 6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.507 3.669 6.687 1.00 0.00 H new ATOM 78 N PHE A 6 7.942 2.729 8.936 1.00 0.00 N ATOM 79 CA PHE A 6 7.711 1.455 9.671 1.00 0.00 C ATOM 80 C PHE A 6 8.629 0.373 9.083 1.00 0.00 C ATOM 81 O PHE A 6 8.511 -0.793 9.395 1.00 0.00 O ATOM 82 CB PHE A 6 6.229 1.048 9.589 1.00 0.00 C ATOM 83 CG PHE A 6 5.779 0.643 8.188 1.00 0.00 C ATOM 84 CD1 PHE A 6 6.585 0.813 7.044 1.00 0.00 C ATOM 85 CD2 PHE A 6 4.503 0.087 8.046 1.00 0.00 C ATOM 86 CE1 PHE A 6 6.104 0.424 5.788 1.00 0.00 C ATOM 87 CE2 PHE A 6 4.035 -0.297 6.789 1.00 0.00 C ATOM 88 CZ PHE A 6 4.829 -0.131 5.669 1.00 0.00 C ATOM 0 H PHE A 6 7.307 2.909 8.159 1.00 0.00 H new ATOM 0 HA PHE A 6 7.950 1.584 10.727 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.052 0.217 10.272 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.614 1.880 9.932 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.572 1.242 7.136 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.876 -0.046 8.915 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.720 0.554 4.910 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.049 -0.726 6.690 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.461 -0.432 4.699 1.00 0.00 H new ATOM 98 N GLY A 7 9.561 0.780 8.244 1.00 0.00 N ATOM 99 CA GLY A 7 10.522 -0.162 7.610 1.00 0.00 C ATOM 100 C GLY A 7 10.599 0.150 6.106 1.00 0.00 C ATOM 101 O GLY A 7 10.920 -0.705 5.305 1.00 0.00 O ATOM 0 H GLY A 7 9.690 1.754 7.972 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.506 -0.062 8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.201 -1.192 7.766 1.00 0.00 H new ATOM 105 N SER A 8 10.304 1.374 5.714 1.00 0.00 N ATOM 106 CA SER A 8 10.356 1.734 4.269 1.00 0.00 C ATOM 107 C SER A 8 11.601 2.565 3.979 1.00 0.00 C ATOM 108 O SER A 8 11.818 3.599 4.570 1.00 0.00 O ATOM 109 CB SER A 8 9.109 2.532 3.876 1.00 0.00 C ATOM 110 OG SER A 8 8.270 2.700 5.005 1.00 0.00 O ATOM 0 H SER A 8 10.031 2.133 6.338 1.00 0.00 H new ATOM 0 HA SER A 8 10.392 0.814 3.685 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.399 3.505 3.479 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.569 2.013 3.084 1.00 0.00 H new ATOM 0 HG SER A 8 7.863 1.840 5.241 1.00 0.00 H new ATOM 116 N GLU A 9 12.410 2.111 3.062 1.00 0.00 N ATOM 117 CA GLU A 9 13.655 2.847 2.698 1.00 0.00 C ATOM 118 C GLU A 9 13.314 4.008 1.761 1.00 0.00 C ATOM 119 O GLU A 9 13.606 3.953 0.583 1.00 0.00 O ATOM 120 CB GLU A 9 14.585 1.879 1.962 1.00 0.00 C ATOM 121 CG GLU A 9 15.788 1.544 2.846 1.00 0.00 C ATOM 122 CD GLU A 9 17.048 2.184 2.260 1.00 0.00 C ATOM 123 OE1 GLU A 9 17.700 1.535 1.458 1.00 0.00 O ATOM 124 OE2 GLU A 9 17.340 3.312 2.622 1.00 0.00 O ATOM 0 H GLU A 9 12.259 1.247 2.541 1.00 0.00 H new ATOM 0 HA GLU A 9 14.132 3.236 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.046 0.967 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.922 2.325 1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.620 1.908 3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.914 0.463 2.913 1.00 0.00 H new ATOM 131 N ASP A 10 12.687 5.055 2.256 1.00 0.00 N ATOM 132 CA ASP A 10 12.320 6.198 1.361 1.00 0.00 C ATOM 133 C ASP A 10 11.667 5.625 0.103 1.00 0.00 C ATOM 134 O ASP A 10 12.056 5.923 -1.008 1.00 0.00 O ATOM 135 CB ASP A 10 13.578 6.979 0.976 1.00 0.00 C ATOM 136 CG ASP A 10 13.886 8.020 2.054 1.00 0.00 C ATOM 137 OD1 ASP A 10 13.978 7.638 3.209 1.00 0.00 O ATOM 138 OD2 ASP A 10 14.023 9.181 1.705 1.00 0.00 O ATOM 0 H ASP A 10 12.417 5.164 3.234 1.00 0.00 H new ATOM 0 HA ASP A 10 11.633 6.872 1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.421 6.297 0.863 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.433 7.469 0.013 1.00 0.00 H new ATOM 143 N ILE A 11 10.700 4.766 0.284 1.00 0.00 N ATOM 144 CA ILE A 11 10.043 4.124 -0.875 1.00 0.00 C ATOM 145 C ILE A 11 9.615 5.173 -1.879 1.00 0.00 C ATOM 146 O ILE A 11 9.888 5.056 -3.038 1.00 0.00 O ATOM 147 CB ILE A 11 8.793 3.379 -0.451 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.920 2.751 0.932 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.479 2.294 -1.458 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.190 1.922 1.034 1.00 0.00 C ATOM 0 H ILE A 11 10.339 4.484 1.195 1.00 0.00 H new ATOM 0 HA ILE A 11 10.764 3.433 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 11 7.987 4.112 -0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.929 3.533 1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.053 2.122 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.580 1.761 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.317 2.743 -2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.314 1.596 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.259 1.484 2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.167 1.127 0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 11 11.056 2.560 0.857 1.00 0.00 H new ATOM 162 N GLU A 12 8.907 6.174 -1.431 1.00 0.00 N ATOM 163 CA GLU A 12 8.386 7.232 -2.353 1.00 0.00 C ATOM 164 C GLU A 12 9.350 7.519 -3.518 1.00 0.00 C ATOM 165 O GLU A 12 8.926 7.671 -4.645 1.00 0.00 O ATOM 166 CB GLU A 12 8.146 8.519 -1.560 1.00 0.00 C ATOM 167 CG GLU A 12 7.528 9.580 -2.471 1.00 0.00 C ATOM 168 CD GLU A 12 8.062 10.959 -2.084 1.00 0.00 C ATOM 169 OE1 GLU A 12 9.156 11.290 -2.512 1.00 0.00 O ATOM 170 OE2 GLU A 12 7.371 11.661 -1.366 1.00 0.00 O ATOM 0 H GLU A 12 8.662 6.308 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 12 7.454 6.866 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.484 8.320 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.087 8.884 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.768 9.365 -3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.442 9.561 -2.384 1.00 0.00 H new ATOM 177 N ASN A 13 10.629 7.579 -3.272 1.00 0.00 N ATOM 178 CA ASN A 13 11.582 7.842 -4.392 1.00 0.00 C ATOM 179 C ASN A 13 11.768 6.557 -5.211 1.00 0.00 C ATOM 180 O ASN A 13 11.801 6.577 -6.424 1.00 0.00 O ATOM 181 CB ASN A 13 12.931 8.289 -3.820 1.00 0.00 C ATOM 182 CG ASN A 13 13.426 9.517 -4.585 1.00 0.00 C ATOM 183 OD1 ASN A 13 13.390 10.620 -4.077 1.00 0.00 O ATOM 184 ND2 ASN A 13 13.892 9.373 -5.796 1.00 0.00 N ATOM 0 H ASN A 13 11.055 7.459 -2.353 1.00 0.00 H new ATOM 0 HA ASN A 13 11.185 8.628 -5.035 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.829 8.524 -2.760 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.658 7.480 -3.899 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.225 10.186 -6.314 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.923 8.448 -6.224 1.00 0.00 H new ATOM 191 N THR A 14 11.894 5.444 -4.544 1.00 0.00 N ATOM 192 CA THR A 14 12.081 4.134 -5.241 1.00 0.00 C ATOM 193 C THR A 14 10.875 3.846 -6.139 1.00 0.00 C ATOM 194 O THR A 14 10.969 3.119 -7.106 1.00 0.00 O ATOM 195 CB THR A 14 12.243 3.041 -4.136 1.00 0.00 C ATOM 196 OG1 THR A 14 13.616 2.958 -3.780 1.00 0.00 O ATOM 197 CG2 THR A 14 11.761 1.629 -4.571 1.00 0.00 C ATOM 0 H THR A 14 11.875 5.383 -3.526 1.00 0.00 H new ATOM 0 HA THR A 14 12.963 4.147 -5.881 1.00 0.00 H new ATOM 0 HB THR A 14 11.615 3.345 -3.299 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.733 2.277 -3.085 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.906 0.926 -3.751 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.703 1.670 -4.831 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.335 1.299 -5.437 1.00 0.00 H new ATOM 205 N LEU A 15 9.747 4.382 -5.820 1.00 0.00 N ATOM 206 CA LEU A 15 8.539 4.104 -6.637 1.00 0.00 C ATOM 207 C LEU A 15 8.326 5.232 -7.648 1.00 0.00 C ATOM 208 O LEU A 15 7.598 5.085 -8.610 1.00 0.00 O ATOM 209 CB LEU A 15 7.314 3.974 -5.714 1.00 0.00 C ATOM 210 CG LEU A 15 7.715 3.312 -4.391 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.574 3.407 -3.380 1.00 0.00 C ATOM 212 CD2 LEU A 15 8.068 1.846 -4.626 1.00 0.00 C ATOM 0 H LEU A 15 9.601 5.005 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 15 8.674 3.169 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.888 4.959 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.541 3.383 -6.205 1.00 0.00 H new ATOM 0 HG LEU A 15 8.585 3.834 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.875 2.932 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.338 4.455 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.693 2.902 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.352 1.384 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.204 1.326 -5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.901 1.780 -5.326 1.00 0.00 H new ATOM 224 N ALA A 16 8.950 6.360 -7.442 1.00 0.00 N ATOM 225 CA ALA A 16 8.772 7.485 -8.398 1.00 0.00 C ATOM 226 C ALA A 16 9.910 7.493 -9.423 1.00 0.00 C ATOM 227 O ALA A 16 9.844 8.191 -10.416 1.00 0.00 O ATOM 228 CB ALA A 16 8.769 8.812 -7.635 1.00 0.00 C ATOM 0 H ALA A 16 9.572 6.549 -6.656 1.00 0.00 H new ATOM 0 HA ALA A 16 7.823 7.358 -8.919 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.638 9.635 -8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.951 8.816 -6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.716 8.931 -7.108 1.00 0.00 H new ATOM 234 N LYS A 17 10.957 6.736 -9.201 1.00 0.00 N ATOM 235 CA LYS A 17 12.076 6.738 -10.186 1.00 0.00 C ATOM 236 C LYS A 17 12.477 5.299 -10.514 1.00 0.00 C ATOM 237 O LYS A 17 13.590 4.881 -10.266 1.00 0.00 O ATOM 238 CB LYS A 17 13.273 7.489 -9.593 1.00 0.00 C ATOM 239 CG LYS A 17 13.451 8.824 -10.324 1.00 0.00 C ATOM 240 CD LYS A 17 12.966 9.971 -9.431 1.00 0.00 C ATOM 241 CE LYS A 17 12.548 11.157 -10.302 1.00 0.00 C ATOM 242 NZ LYS A 17 12.040 12.259 -9.434 1.00 0.00 N ATOM 0 H LYS A 17 11.082 6.127 -8.393 1.00 0.00 H new ATOM 0 HA LYS A 17 11.754 7.235 -11.101 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.116 7.663 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.177 6.887 -9.687 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.500 8.971 -10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.890 8.816 -11.258 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.125 9.640 -8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.758 10.272 -8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.396 11.506 -10.891 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.775 10.850 -11.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.756 13.065 -10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.219 11.923 -8.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.790 12.559 -8.779 1.00 0.00 H new ATOM 256 N MET A 18 11.576 4.534 -11.069 1.00 0.00 N ATOM 257 CA MET A 18 11.904 3.126 -11.406 1.00 0.00 C ATOM 258 C MET A 18 11.082 2.666 -12.612 1.00 0.00 C ATOM 259 O MET A 18 10.584 3.467 -13.379 1.00 0.00 O ATOM 260 CB MET A 18 11.592 2.250 -10.198 1.00 0.00 C ATOM 261 CG MET A 18 12.876 1.581 -9.726 1.00 0.00 C ATOM 262 SD MET A 18 13.710 2.634 -8.519 1.00 0.00 S ATOM 263 CE MET A 18 13.237 1.694 -7.048 1.00 0.00 C ATOM 0 H MET A 18 10.627 4.827 -11.302 1.00 0.00 H new ATOM 0 HA MET A 18 12.961 3.046 -11.660 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.165 2.852 -9.396 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.850 1.497 -10.461 1.00 0.00 H new ATOM 0 HG2 MET A 18 12.649 0.612 -9.281 1.00 0.00 H new ATOM 0 HG3 MET A 18 13.533 1.396 -10.576 1.00 0.00 H new ATOM 0 HE1 MET A 18 13.622 2.192 -6.158 1.00 0.00 H new ATOM 0 HE2 MET A 18 12.150 1.634 -6.988 1.00 0.00 H new ATOM 0 HE3 MET A 18 13.653 0.688 -7.109 1.00 0.00 H new ATOM 273 N ASP A 19 10.952 1.379 -12.799 1.00 0.00 N ATOM 274 CA ASP A 19 10.179 0.869 -13.970 1.00 0.00 C ATOM 275 C ASP A 19 9.171 -0.195 -13.518 1.00 0.00 C ATOM 276 O ASP A 19 7.981 0.045 -13.475 1.00 0.00 O ATOM 277 CB ASP A 19 11.148 0.251 -14.980 1.00 0.00 C ATOM 278 CG ASP A 19 11.316 1.197 -16.172 1.00 0.00 C ATOM 279 OD1 ASP A 19 10.311 1.576 -16.748 1.00 0.00 O ATOM 280 OD2 ASP A 19 12.448 1.524 -16.486 1.00 0.00 O ATOM 0 H ASP A 19 11.347 0.660 -12.193 1.00 0.00 H new ATOM 0 HA ASP A 19 9.638 1.697 -14.429 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.114 0.068 -14.509 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.771 -0.714 -15.318 1.00 0.00 H new ATOM 285 N ASP A 20 9.637 -1.368 -13.186 1.00 0.00 N ATOM 286 CA ASP A 20 8.709 -2.446 -12.744 1.00 0.00 C ATOM 287 C ASP A 20 9.524 -3.627 -12.221 1.00 0.00 C ATOM 288 O ASP A 20 10.087 -4.399 -12.973 1.00 0.00 O ATOM 289 CB ASP A 20 7.845 -2.899 -13.923 1.00 0.00 C ATOM 290 CG ASP A 20 6.558 -3.540 -13.399 1.00 0.00 C ATOM 291 OD1 ASP A 20 5.763 -2.828 -12.809 1.00 0.00 O ATOM 292 OD2 ASP A 20 6.389 -4.732 -13.597 1.00 0.00 O ATOM 0 H ASP A 20 10.624 -1.626 -13.202 1.00 0.00 H new ATOM 0 HA ASP A 20 8.062 -2.068 -11.952 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.606 -2.048 -14.560 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.395 -3.612 -14.537 1.00 0.00 H new ATOM 297 N GLY A 21 9.591 -3.757 -10.930 1.00 0.00 N ATOM 298 CA GLY A 21 10.370 -4.869 -10.315 1.00 0.00 C ATOM 299 C GLY A 21 11.364 -4.273 -9.321 1.00 0.00 C ATOM 300 O GLY A 21 12.496 -4.699 -9.216 1.00 0.00 O ATOM 0 H GLY A 21 9.135 -3.134 -10.264 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.701 -5.566 -9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.896 -5.434 -11.085 1.00 0.00 H new ATOM 304 N GLN A 22 10.936 -3.283 -8.592 1.00 0.00 N ATOM 305 CA GLN A 22 11.832 -2.636 -7.600 1.00 0.00 C ATOM 306 C GLN A 22 11.167 -2.673 -6.228 1.00 0.00 C ATOM 307 O GLN A 22 11.813 -2.847 -5.213 1.00 0.00 O ATOM 308 CB GLN A 22 12.084 -1.190 -8.009 1.00 0.00 C ATOM 309 CG GLN A 22 10.764 -0.474 -8.332 1.00 0.00 C ATOM 310 CD GLN A 22 10.316 -0.822 -9.752 1.00 0.00 C ATOM 311 OE1 GLN A 22 10.978 -1.567 -10.447 1.00 0.00 O ATOM 312 NE2 GLN A 22 9.210 -0.308 -10.214 1.00 0.00 N ATOM 0 H GLN A 22 9.995 -2.892 -8.642 1.00 0.00 H new ATOM 0 HA GLN A 22 12.783 -3.168 -7.560 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.600 -0.665 -7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.740 -1.163 -8.879 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.996 -0.769 -7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.892 0.604 -8.236 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.655 0.317 -9.630 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.900 -0.531 -11.160 1.00 0.00 H new ATOM 321 N LEU A 23 9.873 -2.512 -6.195 1.00 0.00 N ATOM 322 CA LEU A 23 9.149 -2.539 -4.903 1.00 0.00 C ATOM 323 C LEU A 23 8.406 -3.865 -4.778 1.00 0.00 C ATOM 324 O LEU A 23 7.350 -3.936 -4.192 1.00 0.00 O ATOM 325 CB LEU A 23 8.148 -1.381 -4.864 1.00 0.00 C ATOM 326 CG LEU A 23 7.098 -1.564 -5.965 1.00 0.00 C ATOM 327 CD1 LEU A 23 5.800 -2.096 -5.353 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.825 -0.219 -6.640 1.00 0.00 C ATOM 0 H LEU A 23 9.286 -2.362 -7.016 1.00 0.00 H new ATOM 0 HA LEU A 23 9.853 -2.437 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.662 -1.341 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.669 -0.433 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 23 7.470 -2.274 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.054 -2.226 -6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.991 -3.055 -4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.429 -1.387 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.078 -0.350 -7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.455 0.491 -5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.747 0.162 -7.078 1.00 0.00 H new ATOM 340 N ASP A 24 8.942 -4.916 -5.337 1.00 0.00 N ATOM 341 CA ASP A 24 8.250 -6.231 -5.249 1.00 0.00 C ATOM 342 C ASP A 24 9.103 -7.217 -4.441 1.00 0.00 C ATOM 343 O ASP A 24 8.629 -8.250 -4.010 1.00 0.00 O ATOM 344 CB ASP A 24 8.029 -6.780 -6.660 1.00 0.00 C ATOM 345 CG ASP A 24 9.381 -6.993 -7.340 1.00 0.00 C ATOM 346 OD1 ASP A 24 10.017 -6.006 -7.672 1.00 0.00 O ATOM 347 OD2 ASP A 24 9.758 -8.139 -7.518 1.00 0.00 O ATOM 0 H ASP A 24 9.825 -4.920 -5.848 1.00 0.00 H new ATOM 0 HA ASP A 24 7.289 -6.101 -4.751 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.480 -7.721 -6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.423 -6.085 -7.241 1.00 0.00 H new ATOM 352 N GLY A 25 10.357 -6.914 -4.234 1.00 0.00 N ATOM 353 CA GLY A 25 11.230 -7.840 -3.456 1.00 0.00 C ATOM 354 C GLY A 25 11.381 -7.327 -2.024 1.00 0.00 C ATOM 355 O GLY A 25 12.401 -7.520 -1.391 1.00 0.00 O ATOM 0 H GLY A 25 10.814 -6.066 -4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.800 -8.841 -3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.209 -7.916 -3.930 1.00 0.00 H new ATOM 359 N LEU A 26 10.378 -6.675 -1.505 1.00 0.00 N ATOM 360 CA LEU A 26 10.465 -6.154 -0.122 1.00 0.00 C ATOM 361 C LEU A 26 9.639 -7.051 0.797 1.00 0.00 C ATOM 362 O LEU A 26 8.920 -7.928 0.359 1.00 0.00 O ATOM 363 CB LEU A 26 9.890 -4.727 -0.047 1.00 0.00 C ATOM 364 CG LEU A 26 10.251 -3.906 -1.295 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.060 -3.023 -1.676 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.455 -3.013 -0.988 1.00 0.00 C ATOM 0 H LEU A 26 9.499 -6.482 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 26 11.511 -6.140 0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.806 -4.776 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.273 -4.226 0.842 1.00 0.00 H new ATOM 0 HG LEU A 26 10.494 -4.580 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.309 -2.438 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.195 -3.651 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.827 -2.351 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.711 -2.431 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.208 -2.338 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.305 -3.633 -0.703 1.00 0.00 H new ATOM 378 N ALA A 27 9.717 -6.804 2.066 1.00 0.00 N ATOM 379 CA ALA A 27 8.917 -7.594 3.048 1.00 0.00 C ATOM 380 C ALA A 27 7.666 -6.783 3.411 1.00 0.00 C ATOM 381 O ALA A 27 7.034 -6.982 4.441 1.00 0.00 O ATOM 382 CB ALA A 27 9.754 -7.847 4.305 1.00 0.00 C ATOM 0 H ALA A 27 10.307 -6.080 2.477 1.00 0.00 H new ATOM 0 HA ALA A 27 8.630 -8.554 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.169 -8.424 5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.652 -8.404 4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.037 -6.894 4.752 1.00 0.00 H new ATOM 388 N PHE A 28 7.309 -5.863 2.554 1.00 0.00 N ATOM 389 CA PHE A 28 6.126 -5.020 2.796 1.00 0.00 C ATOM 390 C PHE A 28 5.688 -4.418 1.473 1.00 0.00 C ATOM 391 O PHE A 28 6.375 -3.626 0.859 1.00 0.00 O ATOM 392 CB PHE A 28 6.406 -3.912 3.833 1.00 0.00 C ATOM 393 CG PHE A 28 7.626 -3.050 3.500 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.824 -3.606 3.010 1.00 0.00 C ATOM 395 CD2 PHE A 28 7.560 -1.667 3.728 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.929 -2.786 2.746 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.668 -0.856 3.466 1.00 0.00 C ATOM 398 CZ PHE A 28 9.852 -1.412 2.973 1.00 0.00 C ATOM 0 H PHE A 28 7.803 -5.665 1.684 1.00 0.00 H new ATOM 0 HA PHE A 28 5.331 -5.639 3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.529 -3.270 3.911 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.553 -4.371 4.811 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.891 -4.670 2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.649 -1.227 4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.843 -3.219 2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.609 0.207 3.646 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.704 -0.780 2.769 1.00 0.00 H new ATOM 408 N GLY A 29 4.547 -4.830 1.032 1.00 0.00 N ATOM 409 CA GLY A 29 4.000 -4.355 -0.263 1.00 0.00 C ATOM 410 C GLY A 29 4.109 -2.841 -0.389 1.00 0.00 C ATOM 411 O GLY A 29 3.916 -2.117 0.563 1.00 0.00 O ATOM 0 H GLY A 29 3.950 -5.494 1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.538 -4.830 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.956 -4.655 -0.351 1.00 0.00 H new ATOM 415 N ALA A 30 4.382 -2.353 -1.572 1.00 0.00 N ATOM 416 CA ALA A 30 4.454 -0.877 -1.766 1.00 0.00 C ATOM 417 C ALA A 30 3.493 -0.528 -2.900 1.00 0.00 C ATOM 418 O ALA A 30 3.835 -0.602 -4.063 1.00 0.00 O ATOM 419 CB ALA A 30 5.887 -0.437 -2.111 1.00 0.00 C ATOM 0 H ALA A 30 4.557 -2.911 -2.407 1.00 0.00 H new ATOM 0 HA ALA A 30 4.176 -0.356 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.913 0.644 -2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.559 -0.716 -1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.206 -0.927 -3.031 1.00 0.00 H new ATOM 425 N ILE A 31 2.269 -0.202 -2.567 1.00 0.00 N ATOM 426 CA ILE A 31 1.253 0.093 -3.622 1.00 0.00 C ATOM 427 C ILE A 31 1.093 1.598 -3.826 1.00 0.00 C ATOM 428 O ILE A 31 1.542 2.396 -3.037 1.00 0.00 O ATOM 429 CB ILE A 31 -0.098 -0.530 -3.216 1.00 0.00 C ATOM 430 CG1 ILE A 31 -0.816 0.323 -2.163 1.00 0.00 C ATOM 431 CG2 ILE A 31 0.149 -1.907 -2.622 1.00 0.00 C ATOM 432 CD1 ILE A 31 -1.651 1.402 -2.858 1.00 0.00 C ATOM 0 H ILE A 31 1.930 -0.127 -1.608 1.00 0.00 H new ATOM 0 HA ILE A 31 1.592 -0.340 -4.563 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.722 -0.589 -4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.458 -0.306 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.088 0.785 -1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.802 -2.354 -2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.637 -2.540 -3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.789 -1.815 -1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.160 2.007 -2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.998 2.038 -3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.389 0.930 -3.506 1.00 0.00 H new ATOM 444 N GLN A 32 0.433 1.979 -4.883 1.00 0.00 N ATOM 445 CA GLN A 32 0.214 3.424 -5.153 1.00 0.00 C ATOM 446 C GLN A 32 -1.252 3.632 -5.544 1.00 0.00 C ATOM 447 O GLN A 32 -1.963 2.687 -5.824 1.00 0.00 O ATOM 448 CB GLN A 32 1.126 3.871 -6.295 1.00 0.00 C ATOM 449 CG GLN A 32 2.021 5.012 -5.812 1.00 0.00 C ATOM 450 CD GLN A 32 2.818 5.573 -6.989 1.00 0.00 C ATOM 451 OE1 GLN A 32 2.945 6.772 -7.135 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.365 4.751 -7.842 1.00 0.00 N ATOM 0 H GLN A 32 0.034 1.346 -5.576 1.00 0.00 H new ATOM 0 HA GLN A 32 0.445 4.012 -4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.736 3.035 -6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.528 4.198 -7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.414 5.798 -5.363 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.700 4.653 -5.039 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.259 3.744 -7.720 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.899 5.115 -8.631 1.00 0.00 H new ATOM 461 N LEU A 33 -1.717 4.851 -5.563 1.00 0.00 N ATOM 462 CA LEU A 33 -3.139 5.089 -5.931 1.00 0.00 C ATOM 463 C LEU A 33 -3.285 6.453 -6.605 1.00 0.00 C ATOM 464 O LEU A 33 -2.579 7.390 -6.292 1.00 0.00 O ATOM 465 CB LEU A 33 -4.000 5.083 -4.668 1.00 0.00 C ATOM 466 CG LEU A 33 -4.361 3.645 -4.302 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.078 3.629 -2.950 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.286 3.068 -5.374 1.00 0.00 C ATOM 0 H LEU A 33 -1.177 5.687 -5.341 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.460 4.302 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.461 5.554 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.906 5.666 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.453 3.045 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.336 2.603 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.422 4.045 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.987 4.227 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.546 2.041 -5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.194 3.668 -5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.779 3.082 -6.339 1.00 0.00 H new ATOM 480 N ASP A 34 -4.212 6.581 -7.512 1.00 0.00 N ATOM 481 CA ASP A 34 -4.415 7.895 -8.182 1.00 0.00 C ATOM 482 C ASP A 34 -5.807 8.438 -7.835 1.00 0.00 C ATOM 483 O ASP A 34 -6.786 7.715 -7.893 1.00 0.00 O ATOM 484 CB ASP A 34 -4.277 7.739 -9.700 1.00 0.00 C ATOM 485 CG ASP A 34 -5.261 6.685 -10.205 1.00 0.00 C ATOM 486 OD1 ASP A 34 -6.450 6.950 -10.170 1.00 0.00 O ATOM 487 OD2 ASP A 34 -4.808 5.631 -10.620 1.00 0.00 O ATOM 0 H ASP A 34 -4.836 5.835 -7.818 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.657 8.596 -7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.468 8.693 -10.191 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.257 7.449 -9.953 1.00 0.00 H new ATOM 492 N GLY A 35 -5.850 9.710 -7.463 1.00 0.00 N ATOM 493 CA GLY A 35 -7.107 10.448 -7.067 1.00 0.00 C ATOM 494 C GLY A 35 -8.386 9.693 -7.417 1.00 0.00 C ATOM 495 O GLY A 35 -9.098 10.036 -8.341 1.00 0.00 O ATOM 0 H GLY A 35 -5.015 10.294 -7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.087 10.636 -5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.120 11.420 -7.561 1.00 0.00 H new ATOM 499 N ASP A 36 -8.672 8.679 -6.664 1.00 0.00 N ATOM 500 CA ASP A 36 -9.902 7.860 -6.892 1.00 0.00 C ATOM 501 C ASP A 36 -9.744 6.529 -6.167 1.00 0.00 C ATOM 502 O ASP A 36 -10.708 5.869 -5.830 1.00 0.00 O ATOM 503 CB ASP A 36 -10.099 7.587 -8.388 1.00 0.00 C ATOM 504 CG ASP A 36 -11.241 8.452 -8.920 1.00 0.00 C ATOM 505 OD1 ASP A 36 -12.321 8.382 -8.359 1.00 0.00 O ATOM 506 OD2 ASP A 36 -11.015 9.171 -9.880 1.00 0.00 O ATOM 0 H ASP A 36 -8.097 8.370 -5.880 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.767 8.406 -6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.180 7.805 -8.932 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.322 6.532 -8.549 1.00 0.00 H new ATOM 511 N GLY A 37 -8.527 6.120 -5.942 1.00 0.00 N ATOM 512 CA GLY A 37 -8.287 4.828 -5.264 1.00 0.00 C ATOM 513 C GLY A 37 -7.934 3.789 -6.326 1.00 0.00 C ATOM 514 O GLY A 37 -8.040 2.597 -6.104 1.00 0.00 O ATOM 0 H GLY A 37 -7.685 6.634 -6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.477 4.923 -4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.174 4.519 -4.710 1.00 0.00 H new ATOM 518 N ASN A 38 -7.499 4.230 -7.482 1.00 0.00 N ATOM 519 CA ASN A 38 -7.126 3.252 -8.546 1.00 0.00 C ATOM 520 C ASN A 38 -5.663 2.863 -8.356 1.00 0.00 C ATOM 521 O ASN A 38 -4.812 3.705 -8.165 1.00 0.00 O ATOM 522 CB ASN A 38 -7.311 3.877 -9.929 1.00 0.00 C ATOM 523 CG ASN A 38 -8.792 4.165 -10.170 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.258 5.260 -9.929 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.556 3.220 -10.644 1.00 0.00 N ATOM 0 H ASN A 38 -7.388 5.213 -7.731 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.765 2.372 -8.473 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.735 4.799 -10.002 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.932 3.203 -10.697 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.546 3.401 -10.812 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.164 2.300 -10.846 1.00 0.00 H new ATOM 532 N ILE A 39 -5.363 1.599 -8.382 1.00 0.00 N ATOM 533 CA ILE A 39 -3.952 1.174 -8.164 1.00 0.00 C ATOM 534 C ILE A 39 -3.055 1.614 -9.328 1.00 0.00 C ATOM 535 O ILE A 39 -3.389 1.471 -10.488 1.00 0.00 O ATOM 536 CB ILE A 39 -3.909 -0.370 -7.967 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.259 -0.677 -6.617 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.108 -1.089 -9.068 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.260 -0.414 -5.494 1.00 0.00 C ATOM 0 H ILE A 39 -6.028 0.843 -8.544 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.566 1.657 -7.267 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.936 -0.732 -8.013 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.930 -1.716 -6.588 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.372 -0.058 -6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.112 -2.162 -8.879 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.563 -0.890 -10.038 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.081 -0.725 -9.067 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.795 -0.633 -4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.567 0.631 -5.518 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.133 -1.052 -5.628 1.00 0.00 H new ATOM 551 N LEU A 40 -1.888 2.082 -9.002 1.00 0.00 N ATOM 552 CA LEU A 40 -0.906 2.467 -10.045 1.00 0.00 C ATOM 553 C LEU A 40 0.075 1.294 -10.161 1.00 0.00 C ATOM 554 O LEU A 40 0.591 0.984 -11.217 1.00 0.00 O ATOM 555 CB LEU A 40 -0.152 3.737 -9.624 1.00 0.00 C ATOM 556 CG LEU A 40 -1.094 4.700 -8.887 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.331 5.971 -8.526 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.273 5.062 -9.788 1.00 0.00 C ATOM 0 H LEU A 40 -1.568 2.216 -8.043 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.399 2.675 -10.994 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.686 3.473 -8.979 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.265 4.228 -10.503 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.465 4.219 -7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.996 6.658 -8.002 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.511 5.719 -7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.037 6.445 -9.436 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.938 5.745 -9.260 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.904 5.542 -10.694 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.819 4.157 -10.054 1.00 0.00 H new ATOM 570 N GLN A 41 0.299 0.628 -9.054 1.00 0.00 N ATOM 571 CA GLN A 41 1.206 -0.559 -9.017 1.00 0.00 C ATOM 572 C GLN A 41 0.931 -1.313 -7.709 1.00 0.00 C ATOM 573 O GLN A 41 0.078 -0.921 -6.938 1.00 0.00 O ATOM 574 CB GLN A 41 2.693 -0.151 -9.100 1.00 0.00 C ATOM 575 CG GLN A 41 2.927 1.291 -8.616 1.00 0.00 C ATOM 576 CD GLN A 41 3.397 1.262 -7.166 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.535 1.574 -6.876 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.564 0.897 -6.235 1.00 0.00 N ATOM 0 H GLN A 41 -0.120 0.865 -8.154 1.00 0.00 H new ATOM 0 HA GLN A 41 1.008 -1.193 -9.882 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.290 -0.836 -8.498 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.038 -0.248 -10.130 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.672 1.781 -9.243 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.007 1.870 -8.701 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.609 0.635 -6.479 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.866 0.873 -5.261 1.00 0.00 H new ATOM 587 N TYR A 42 1.618 -2.394 -7.448 1.00 0.00 N ATOM 588 CA TYR A 42 1.341 -3.148 -6.184 1.00 0.00 C ATOM 589 C TYR A 42 2.652 -3.667 -5.548 1.00 0.00 C ATOM 590 O TYR A 42 3.300 -2.946 -4.805 1.00 0.00 O ATOM 591 CB TYR A 42 0.364 -4.304 -6.486 1.00 0.00 C ATOM 592 CG TYR A 42 -0.164 -4.874 -5.190 1.00 0.00 C ATOM 593 CD1 TYR A 42 -0.878 -4.050 -4.319 1.00 0.00 C ATOM 594 CD2 TYR A 42 0.070 -6.214 -4.847 1.00 0.00 C ATOM 595 CE1 TYR A 42 -1.353 -4.554 -3.106 1.00 0.00 C ATOM 596 CE2 TYR A 42 -0.416 -6.720 -3.632 1.00 0.00 C ATOM 597 CZ TYR A 42 -1.128 -5.885 -2.761 1.00 0.00 C ATOM 598 OH TYR A 42 -1.587 -6.358 -1.549 1.00 0.00 O ATOM 0 H TYR A 42 2.348 -2.785 -8.043 1.00 0.00 H new ATOM 0 HA TYR A 42 0.880 -2.477 -5.459 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.462 -3.944 -7.100 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.871 -5.082 -7.057 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.064 -3.020 -4.584 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.623 -6.855 -5.517 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.897 -3.909 -2.432 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.241 -7.753 -3.368 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.148 -7.148 -1.697 1.00 0.00 H new ATOM 608 N ASN A 43 3.034 -4.907 -5.821 1.00 0.00 N ATOM 609 CA ASN A 43 4.288 -5.513 -5.239 1.00 0.00 C ATOM 610 C ASN A 43 4.092 -7.032 -5.198 1.00 0.00 C ATOM 611 O ASN A 43 2.989 -7.526 -5.073 1.00 0.00 O ATOM 612 CB ASN A 43 4.553 -4.953 -3.824 1.00 0.00 C ATOM 613 CG ASN A 43 5.557 -5.779 -3.013 1.00 0.00 C ATOM 614 OD1 ASN A 43 5.540 -6.981 -3.020 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.412 -5.149 -2.258 1.00 0.00 N ATOM 0 H ASN A 43 2.516 -5.534 -6.436 1.00 0.00 H new ATOM 0 HA ASN A 43 5.154 -5.263 -5.852 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.922 -3.931 -3.911 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.610 -4.906 -3.279 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.063 -5.676 -1.676 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.430 -4.129 -2.249 1.00 0.00 H new ATOM 622 N ALA A 44 5.154 -7.769 -5.311 1.00 0.00 N ATOM 623 CA ALA A 44 5.046 -9.260 -5.293 1.00 0.00 C ATOM 624 C ALA A 44 4.782 -9.753 -3.868 1.00 0.00 C ATOM 625 O ALA A 44 3.800 -10.412 -3.611 1.00 0.00 O ATOM 626 CB ALA A 44 6.350 -9.873 -5.806 1.00 0.00 C ATOM 0 H ALA A 44 6.102 -7.407 -5.416 1.00 0.00 H new ATOM 0 HA ALA A 44 4.218 -9.562 -5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.271 -10.960 -5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.534 -9.535 -6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.175 -9.561 -5.166 1.00 0.00 H new ATOM 632 N ALA A 45 5.664 -9.440 -2.951 1.00 0.00 N ATOM 633 CA ALA A 45 5.506 -9.875 -1.523 1.00 0.00 C ATOM 634 C ALA A 45 4.043 -9.796 -1.068 1.00 0.00 C ATOM 635 O ALA A 45 3.459 -10.777 -0.652 1.00 0.00 O ATOM 636 CB ALA A 45 6.346 -8.952 -0.634 1.00 0.00 C ATOM 0 H ALA A 45 6.504 -8.891 -3.133 1.00 0.00 H new ATOM 0 HA ALA A 45 5.835 -10.911 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.241 -9.256 0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.394 -9.018 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.002 -7.924 -0.748 1.00 0.00 H new ATOM 642 N GLU A 46 3.459 -8.636 -1.123 1.00 0.00 N ATOM 643 CA GLU A 46 2.043 -8.497 -0.677 1.00 0.00 C ATOM 644 C GLU A 46 1.134 -9.332 -1.564 1.00 0.00 C ATOM 645 O GLU A 46 0.241 -10.010 -1.101 1.00 0.00 O ATOM 646 CB GLU A 46 1.608 -7.029 -0.752 1.00 0.00 C ATOM 647 CG GLU A 46 2.139 -6.351 -2.019 1.00 0.00 C ATOM 648 CD GLU A 46 1.506 -4.968 -2.150 1.00 0.00 C ATOM 649 OE1 GLU A 46 1.556 -4.420 -3.234 1.00 0.00 O ATOM 650 OE2 GLU A 46 0.912 -4.429 -1.029 1.00 0.00 O ATOM 0 H GLU A 46 3.897 -7.777 -1.456 1.00 0.00 H new ATOM 0 HA GLU A 46 1.968 -8.845 0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.520 -6.969 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.970 -6.496 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.225 -6.264 -1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.905 -6.956 -2.895 1.00 0.00 H new ATOM 658 N GLY A 47 1.358 -9.279 -2.832 1.00 0.00 N ATOM 659 CA GLY A 47 0.514 -10.059 -3.779 1.00 0.00 C ATOM 660 C GLY A 47 0.678 -11.560 -3.516 1.00 0.00 C ATOM 661 O GLY A 47 -0.100 -12.365 -3.987 1.00 0.00 O ATOM 0 H GLY A 47 2.096 -8.725 -3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.532 -9.774 -3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.798 -9.829 -4.806 1.00 0.00 H new ATOM 665 N ASP A 48 1.679 -11.949 -2.770 1.00 0.00 N ATOM 666 CA ASP A 48 1.868 -13.398 -2.492 1.00 0.00 C ATOM 667 C ASP A 48 1.105 -13.768 -1.223 1.00 0.00 C ATOM 668 O ASP A 48 0.717 -14.901 -1.027 1.00 0.00 O ATOM 669 CB ASP A 48 3.356 -13.697 -2.303 1.00 0.00 C ATOM 670 CG ASP A 48 3.769 -14.837 -3.236 1.00 0.00 C ATOM 671 OD1 ASP A 48 3.182 -15.903 -3.132 1.00 0.00 O ATOM 672 OD2 ASP A 48 4.664 -14.627 -4.037 1.00 0.00 O ATOM 0 H ASP A 48 2.368 -11.328 -2.345 1.00 0.00 H new ATOM 0 HA ASP A 48 1.490 -13.983 -3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.947 -12.806 -2.516 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.554 -13.971 -1.267 1.00 0.00 H new ATOM 677 N ILE A 49 0.881 -12.816 -0.361 1.00 0.00 N ATOM 678 CA ILE A 49 0.139 -13.104 0.886 1.00 0.00 C ATOM 679 C ILE A 49 -1.361 -13.151 0.556 1.00 0.00 C ATOM 680 O ILE A 49 -2.066 -14.057 0.952 1.00 0.00 O ATOM 681 CB ILE A 49 0.487 -12.008 1.908 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.439 -12.585 2.958 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.753 -11.447 2.610 1.00 0.00 C ATOM 684 CD1 ILE A 49 2.707 -13.100 2.275 1.00 0.00 C ATOM 0 H ILE A 49 1.183 -11.848 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 49 0.412 -14.067 1.318 1.00 0.00 H new ATOM 0 HB ILE A 49 0.956 -11.188 1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.694 -11.820 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.951 -13.395 3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.452 -10.677 3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.426 -11.014 1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.265 -12.250 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.383 -13.510 3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.444 -13.878 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.199 -12.279 1.754 1.00 0.00 H new ATOM 696 N THR A 50 -1.844 -12.180 -0.168 1.00 0.00 N ATOM 697 CA THR A 50 -3.294 -12.169 -0.528 1.00 0.00 C ATOM 698 C THR A 50 -3.488 -12.677 -1.963 1.00 0.00 C ATOM 699 O THR A 50 -4.601 -12.853 -2.418 1.00 0.00 O ATOM 700 CB THR A 50 -3.853 -10.746 -0.435 1.00 0.00 C ATOM 701 OG1 THR A 50 -3.516 -10.034 -1.618 1.00 0.00 O ATOM 702 CG2 THR A 50 -3.274 -10.027 0.784 1.00 0.00 C ATOM 0 H THR A 50 -1.301 -11.394 -0.526 1.00 0.00 H new ATOM 0 HA THR A 50 -3.822 -12.819 0.170 1.00 0.00 H new ATOM 0 HB THR A 50 -4.937 -10.793 -0.329 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.984 -9.245 -1.384 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.680 -9.017 0.837 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.540 -10.573 1.689 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.189 -9.978 0.696 1.00 0.00 H new ATOM 710 N GLY A 51 -2.425 -12.902 -2.688 1.00 0.00 N ATOM 711 CA GLY A 51 -2.572 -13.380 -4.087 1.00 0.00 C ATOM 712 C GLY A 51 -2.782 -12.184 -5.026 1.00 0.00 C ATOM 713 O GLY A 51 -2.822 -12.332 -6.232 1.00 0.00 O ATOM 0 H GLY A 51 -1.464 -12.775 -2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.684 -13.937 -4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.417 -14.064 -4.160 1.00 0.00 H new ATOM 717 N ARG A 52 -2.916 -10.999 -4.487 1.00 0.00 N ATOM 718 CA ARG A 52 -3.120 -9.797 -5.345 1.00 0.00 C ATOM 719 C ARG A 52 -2.030 -9.697 -6.410 1.00 0.00 C ATOM 720 O ARG A 52 -0.873 -9.481 -6.112 1.00 0.00 O ATOM 721 CB ARG A 52 -3.070 -8.538 -4.479 1.00 0.00 C ATOM 722 CG ARG A 52 -4.485 -8.002 -4.244 1.00 0.00 C ATOM 723 CD ARG A 52 -4.519 -6.515 -4.575 1.00 0.00 C ATOM 724 NE ARG A 52 -4.849 -5.711 -3.364 1.00 0.00 N ATOM 725 CZ ARG A 52 -4.252 -4.567 -3.167 1.00 0.00 C ATOM 726 NH1 ARG A 52 -3.836 -3.863 -4.186 1.00 0.00 N ATOM 727 NH2 ARG A 52 -4.068 -4.126 -1.957 1.00 0.00 N ATOM 0 H ARG A 52 -2.892 -10.813 -3.484 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.090 -9.888 -5.833 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.595 -8.763 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.461 -7.777 -4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.199 -8.542 -4.866 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.780 -8.163 -3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.553 -6.204 -4.971 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.258 -6.328 -5.354 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.537 -6.053 -2.693 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.978 -4.207 -5.136 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.370 -2.969 -4.032 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.390 -4.674 -1.160 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.601 -3.232 -1.806 1.00 0.00 H new ATOM 741 N ASP A 53 -2.398 -9.810 -7.653 1.00 0.00 N ATOM 742 CA ASP A 53 -1.394 -9.677 -8.742 1.00 0.00 C ATOM 743 C ASP A 53 -1.354 -8.201 -9.151 1.00 0.00 C ATOM 744 O ASP A 53 -2.305 -7.492 -8.912 1.00 0.00 O ATOM 745 CB ASP A 53 -1.808 -10.538 -9.938 1.00 0.00 C ATOM 746 CG ASP A 53 -1.313 -11.970 -9.726 1.00 0.00 C ATOM 747 OD1 ASP A 53 -0.247 -12.129 -9.155 1.00 0.00 O ATOM 748 OD2 ASP A 53 -2.010 -12.883 -10.137 1.00 0.00 O ATOM 0 H ASP A 53 -3.353 -9.989 -7.963 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.412 -10.010 -8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.892 -10.529 -10.049 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.390 -10.129 -10.858 1.00 0.00 H new ATOM 753 N PRO A 54 -0.264 -7.764 -9.736 1.00 0.00 N ATOM 754 CA PRO A 54 -0.117 -6.358 -10.153 1.00 0.00 C ATOM 755 C PRO A 54 -0.882 -6.080 -11.453 1.00 0.00 C ATOM 756 O PRO A 54 -1.635 -5.131 -11.549 1.00 0.00 O ATOM 757 CB PRO A 54 1.392 -6.201 -10.364 1.00 0.00 C ATOM 758 CG PRO A 54 1.949 -7.625 -10.611 1.00 0.00 C ATOM 759 CD PRO A 54 0.913 -8.611 -10.037 1.00 0.00 C ATOM 0 HA PRO A 54 -0.520 -5.659 -9.420 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.600 -5.550 -11.213 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.861 -5.746 -9.491 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.103 -7.801 -11.676 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.916 -7.752 -10.124 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.668 -9.394 -10.755 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.288 -9.106 -9.141 1.00 0.00 H new ATOM 767 N LYS A 55 -0.685 -6.888 -12.457 1.00 0.00 N ATOM 768 CA LYS A 55 -1.387 -6.659 -13.751 1.00 0.00 C ATOM 769 C LYS A 55 -2.891 -6.894 -13.589 1.00 0.00 C ATOM 770 O LYS A 55 -3.686 -6.424 -14.379 1.00 0.00 O ATOM 771 CB LYS A 55 -0.833 -7.622 -14.804 1.00 0.00 C ATOM 772 CG LYS A 55 -1.081 -9.066 -14.360 1.00 0.00 C ATOM 773 CD LYS A 55 0.240 -9.839 -14.368 1.00 0.00 C ATOM 774 CE LYS A 55 0.044 -11.176 -15.086 1.00 0.00 C ATOM 775 NZ LYS A 55 1.213 -11.441 -15.972 1.00 0.00 N ATOM 0 H LYS A 55 -0.067 -7.699 -12.437 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.223 -5.629 -14.066 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.312 -7.439 -15.766 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.235 -7.451 -14.942 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.516 -9.080 -13.361 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.798 -9.544 -15.027 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.012 -9.255 -14.868 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.580 -10.009 -13.347 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.063 -11.980 -14.358 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.874 -11.154 -15.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.080 -12.350 -16.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.295 -10.679 -16.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.081 -11.479 -15.400 1.00 0.00 H new ATOM 789 N GLN A 56 -3.293 -7.620 -12.583 1.00 0.00 N ATOM 790 CA GLN A 56 -4.750 -7.879 -12.399 1.00 0.00 C ATOM 791 C GLN A 56 -5.365 -6.785 -11.525 1.00 0.00 C ATOM 792 O GLN A 56 -6.435 -6.282 -11.805 1.00 0.00 O ATOM 793 CB GLN A 56 -4.949 -9.242 -11.734 1.00 0.00 C ATOM 794 CG GLN A 56 -6.118 -9.969 -12.400 1.00 0.00 C ATOM 795 CD GLN A 56 -5.778 -10.251 -13.865 1.00 0.00 C ATOM 796 OE1 GLN A 56 -6.365 -9.673 -14.758 1.00 0.00 O ATOM 797 NE2 GLN A 56 -4.848 -11.120 -14.152 1.00 0.00 N ATOM 0 H GLN A 56 -2.682 -8.043 -11.885 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.240 -7.877 -13.372 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.040 -9.837 -11.821 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.146 -9.114 -10.670 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.324 -10.903 -11.877 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.021 -9.362 -12.336 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.355 -11.605 -13.403 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.614 -11.314 -15.126 1.00 0.00 H new ATOM 806 N VAL A 57 -4.696 -6.403 -10.472 1.00 0.00 N ATOM 807 CA VAL A 57 -5.245 -5.333 -9.593 1.00 0.00 C ATOM 808 C VAL A 57 -5.049 -3.967 -10.254 1.00 0.00 C ATOM 809 O VAL A 57 -5.440 -2.952 -9.714 1.00 0.00 O ATOM 810 CB VAL A 57 -4.531 -5.349 -8.243 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.661 -6.739 -7.628 1.00 0.00 C ATOM 812 CG2 VAL A 57 -3.049 -5.004 -8.434 1.00 0.00 C ATOM 0 H VAL A 57 -3.795 -6.785 -10.183 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.309 -5.514 -9.441 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.983 -4.610 -7.581 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.154 -6.759 -6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.715 -6.978 -7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.207 -7.475 -8.292 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.545 -5.017 -7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.587 -5.738 -9.094 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.960 -4.012 -8.876 1.00 0.00 H new ATOM 822 N ILE A 58 -4.443 -3.925 -11.411 1.00 0.00 N ATOM 823 CA ILE A 58 -4.237 -2.619 -12.078 1.00 0.00 C ATOM 824 C ILE A 58 -5.595 -2.109 -12.562 1.00 0.00 C ATOM 825 O ILE A 58 -6.299 -2.770 -13.300 1.00 0.00 O ATOM 826 CB ILE A 58 -3.216 -2.794 -13.231 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.888 -2.193 -12.778 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.662 -2.086 -14.523 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.800 -2.521 -13.802 1.00 0.00 C ATOM 0 H ILE A 58 -4.086 -4.736 -11.916 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.824 -1.878 -11.394 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.130 -3.858 -13.453 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.985 -1.113 -12.669 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.613 -2.589 -11.801 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.912 -2.239 -15.299 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.616 -2.498 -14.853 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.774 -1.019 -14.333 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.147 -2.091 -13.477 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.697 -3.603 -13.889 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.074 -2.103 -14.771 1.00 0.00 H new ATOM 841 N GLY A 59 -5.969 -0.943 -12.130 1.00 0.00 N ATOM 842 CA GLY A 59 -7.287 -0.388 -12.536 1.00 0.00 C ATOM 843 C GLY A 59 -8.334 -0.763 -11.481 1.00 0.00 C ATOM 844 O GLY A 59 -9.396 -0.179 -11.413 1.00 0.00 O ATOM 0 H GLY A 59 -5.419 -0.347 -11.511 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.224 0.696 -12.635 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.577 -0.781 -13.510 1.00 0.00 H new ATOM 848 N LYS A 60 -8.040 -1.737 -10.654 1.00 0.00 N ATOM 849 CA LYS A 60 -9.014 -2.148 -9.606 1.00 0.00 C ATOM 850 C LYS A 60 -8.940 -1.173 -8.430 1.00 0.00 C ATOM 851 O LYS A 60 -7.871 -0.813 -7.972 1.00 0.00 O ATOM 852 CB LYS A 60 -8.674 -3.565 -9.115 1.00 0.00 C ATOM 853 CG LYS A 60 -8.410 -4.480 -10.318 1.00 0.00 C ATOM 854 CD LYS A 60 -9.611 -4.446 -11.271 1.00 0.00 C ATOM 855 CE LYS A 60 -9.532 -5.628 -12.240 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.211 -5.272 -13.518 1.00 0.00 N ATOM 0 H LYS A 60 -7.166 -2.263 -10.663 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.020 -2.139 -10.025 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.797 -3.536 -8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.496 -3.961 -8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.510 -4.157 -10.841 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.233 -5.500 -9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.540 -4.490 -10.703 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.621 -3.508 -11.826 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.490 -5.887 -12.430 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.003 -6.506 -11.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.157 -6.076 -14.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.208 -5.045 -13.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.742 -4.446 -13.942 1.00 0.00 H new ATOM 870 N ASN A 61 -10.071 -0.751 -7.933 1.00 0.00 N ATOM 871 CA ASN A 61 -10.071 0.187 -6.778 1.00 0.00 C ATOM 872 C ASN A 61 -9.675 -0.592 -5.525 1.00 0.00 C ATOM 873 O ASN A 61 -10.461 -1.325 -4.963 1.00 0.00 O ATOM 874 CB ASN A 61 -11.472 0.775 -6.597 1.00 0.00 C ATOM 875 CG ASN A 61 -11.378 2.298 -6.488 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.721 2.868 -5.471 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.922 2.986 -7.499 1.00 0.00 N ATOM 0 H ASN A 61 -10.994 -1.016 -8.278 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.366 0.999 -6.952 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.105 0.499 -7.440 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.937 0.364 -5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.854 4.002 -7.435 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.634 2.508 -8.353 1.00 0.00 H new ATOM 884 N PHE A 62 -8.454 -0.455 -5.095 1.00 0.00 N ATOM 885 CA PHE A 62 -8.003 -1.208 -3.888 1.00 0.00 C ATOM 886 C PHE A 62 -8.793 -0.763 -2.658 1.00 0.00 C ATOM 887 O PHE A 62 -8.744 -1.406 -1.625 1.00 0.00 O ATOM 888 CB PHE A 62 -6.506 -0.944 -3.657 1.00 0.00 C ATOM 889 CG PHE A 62 -6.147 -1.159 -2.198 1.00 0.00 C ATOM 890 CD1 PHE A 62 -6.170 -2.447 -1.666 1.00 0.00 C ATOM 891 CD2 PHE A 62 -5.805 -0.072 -1.387 1.00 0.00 C ATOM 892 CE1 PHE A 62 -5.839 -2.657 -0.323 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.474 -0.278 -0.042 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.488 -1.575 0.490 1.00 0.00 C ATOM 0 H PHE A 62 -7.748 0.144 -5.524 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.173 -2.273 -4.049 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.912 -1.608 -4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.261 0.077 -3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.444 -3.284 -2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.796 0.927 -1.798 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.855 -3.656 0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.208 0.561 0.584 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.228 -1.738 1.526 1.00 0.00 H new ATOM 904 N PHE A 63 -9.475 0.334 -2.727 1.00 0.00 N ATOM 905 CA PHE A 63 -10.199 0.796 -1.521 1.00 0.00 C ATOM 906 C PHE A 63 -11.602 0.189 -1.470 1.00 0.00 C ATOM 907 O PHE A 63 -12.435 0.603 -0.688 1.00 0.00 O ATOM 908 CB PHE A 63 -10.281 2.321 -1.519 1.00 0.00 C ATOM 909 CG PHE A 63 -9.183 2.854 -0.634 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.326 2.806 0.756 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.016 3.377 -1.202 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.303 3.284 1.580 1.00 0.00 C ATOM 913 CE2 PHE A 63 -6.991 3.854 -0.376 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.135 3.809 1.015 1.00 0.00 C ATOM 0 H PHE A 63 -9.564 0.926 -3.553 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.653 0.468 -0.637 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -10.173 2.708 -2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.255 2.648 -1.155 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.226 2.400 1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.906 3.413 -2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.414 3.248 2.654 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.089 4.257 -0.813 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.345 4.179 1.652 1.00 0.00 H new ATOM 924 N LYS A 64 -11.874 -0.795 -2.285 1.00 0.00 N ATOM 925 CA LYS A 64 -13.231 -1.416 -2.255 1.00 0.00 C ATOM 926 C LYS A 64 -13.299 -2.607 -3.217 1.00 0.00 C ATOM 927 O LYS A 64 -13.711 -3.689 -2.849 1.00 0.00 O ATOM 928 CB LYS A 64 -14.277 -0.375 -2.663 1.00 0.00 C ATOM 929 CG LYS A 64 -15.314 -0.227 -1.548 1.00 0.00 C ATOM 930 CD LYS A 64 -15.897 1.188 -1.576 1.00 0.00 C ATOM 931 CE LYS A 64 -17.426 1.111 -1.547 1.00 0.00 C ATOM 932 NZ LYS A 64 -17.976 1.628 -2.833 1.00 0.00 N ATOM 0 H LYS A 64 -11.224 -1.192 -2.963 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.432 -1.769 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.795 0.584 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.765 -0.678 -3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.109 -0.962 -1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.853 -0.422 -0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.535 1.759 -0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.566 1.712 -2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.746 0.081 -1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.814 1.695 -0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.014 1.575 -2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.682 2.617 -2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.616 1.053 -3.621 1.00 0.00 H new ATOM 946 N ASP A 65 -12.925 -2.415 -4.450 1.00 0.00 N ATOM 947 CA ASP A 65 -12.997 -3.532 -5.436 1.00 0.00 C ATOM 948 C ASP A 65 -11.918 -4.586 -5.155 1.00 0.00 C ATOM 949 O ASP A 65 -11.864 -5.605 -5.813 1.00 0.00 O ATOM 950 CB ASP A 65 -12.803 -2.976 -6.848 1.00 0.00 C ATOM 951 CG ASP A 65 -13.832 -3.606 -7.789 1.00 0.00 C ATOM 952 OD1 ASP A 65 -13.575 -4.698 -8.270 1.00 0.00 O ATOM 953 OD2 ASP A 65 -14.858 -2.985 -8.014 1.00 0.00 O ATOM 0 H ASP A 65 -12.572 -1.532 -4.820 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.975 -4.005 -5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.915 -1.892 -6.842 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.794 -3.190 -7.199 1.00 0.00 H new ATOM 958 N VAL A 66 -11.057 -4.365 -4.195 1.00 0.00 N ATOM 959 CA VAL A 66 -10.003 -5.369 -3.911 1.00 0.00 C ATOM 960 C VAL A 66 -10.025 -5.705 -2.431 1.00 0.00 C ATOM 961 O VAL A 66 -10.156 -6.843 -2.026 1.00 0.00 O ATOM 962 CB VAL A 66 -8.645 -4.757 -4.218 1.00 0.00 C ATOM 963 CG1 VAL A 66 -7.577 -5.832 -4.218 1.00 0.00 C ATOM 964 CG2 VAL A 66 -8.651 -4.091 -5.585 1.00 0.00 C ATOM 0 H VAL A 66 -11.042 -3.536 -3.601 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.177 -6.260 -4.515 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.433 -4.014 -3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.609 -5.383 -4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.541 -6.309 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.812 -6.579 -4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.670 -3.660 -5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.884 -4.832 -6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.404 -3.303 -5.602 1.00 0.00 H new ATOM 974 N ALA A 67 -9.864 -4.698 -1.632 1.00 0.00 N ATOM 975 CA ALA A 67 -9.830 -4.887 -0.167 1.00 0.00 C ATOM 976 C ALA A 67 -11.116 -4.311 0.458 1.00 0.00 C ATOM 977 O ALA A 67 -11.263 -3.109 0.543 1.00 0.00 O ATOM 978 CB ALA A 67 -8.613 -4.133 0.350 1.00 0.00 C ATOM 0 H ALA A 67 -9.752 -3.732 -1.940 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.769 -5.943 0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.548 -4.245 1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.712 -4.537 -0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.706 -3.076 0.100 1.00 0.00 H new ATOM 984 N PRO A 68 -12.022 -5.178 0.871 1.00 0.00 N ATOM 985 CA PRO A 68 -13.299 -4.744 1.470 1.00 0.00 C ATOM 986 C PRO A 68 -13.104 -4.230 2.901 1.00 0.00 C ATOM 987 O PRO A 68 -14.045 -3.803 3.542 1.00 0.00 O ATOM 988 CB PRO A 68 -14.160 -6.011 1.450 1.00 0.00 C ATOM 989 CG PRO A 68 -13.180 -7.204 1.370 1.00 0.00 C ATOM 990 CD PRO A 68 -11.865 -6.649 0.793 1.00 0.00 C ATOM 0 HA PRO A 68 -13.753 -3.915 0.927 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.777 -6.075 2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.837 -6.007 0.596 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.018 -7.640 2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.580 -7.993 0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.004 -6.988 1.369 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.711 -6.979 -0.235 1.00 0.00 H new ATOM 998 N CYS A 69 -11.902 -4.253 3.411 1.00 0.00 N ATOM 999 CA CYS A 69 -11.687 -3.747 4.797 1.00 0.00 C ATOM 1000 C CYS A 69 -11.024 -2.369 4.745 1.00 0.00 C ATOM 1001 O CYS A 69 -11.077 -1.616 5.691 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.803 -4.721 5.587 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.148 -4.796 4.863 1.00 0.00 S ATOM 0 H CYS A 69 -11.068 -4.596 2.934 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.652 -3.665 5.297 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.738 -4.402 6.627 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.253 -5.714 5.586 1.00 0.00 H new ATOM 1008 N THR A 70 -10.402 -2.027 3.647 1.00 0.00 N ATOM 1009 CA THR A 70 -9.746 -0.689 3.560 1.00 0.00 C ATOM 1010 C THR A 70 -10.810 0.407 3.437 1.00 0.00 C ATOM 1011 O THR A 70 -10.503 1.582 3.465 1.00 0.00 O ATOM 1012 CB THR A 70 -8.818 -0.643 2.346 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.576 -0.821 1.161 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.758 -1.742 2.468 1.00 0.00 C ATOM 0 H THR A 70 -10.320 -2.610 2.814 1.00 0.00 H new ATOM 0 HA THR A 70 -9.162 -0.521 4.465 1.00 0.00 H new ATOM 0 HB THR A 70 -8.319 0.325 2.304 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.990 -1.709 1.168 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.097 -1.708 1.602 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.175 -1.586 3.376 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.247 -2.715 2.514 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.059 0.040 3.303 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.126 1.072 3.188 1.00 0.00 C ATOM 1024 C ASP A 71 -13.619 1.440 4.587 1.00 0.00 C ATOM 1025 O ASP A 71 -14.798 1.391 4.878 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.289 0.520 2.360 1.00 0.00 C ATOM 1027 CG ASP A 71 -15.329 1.621 2.128 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -15.197 2.675 2.730 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -16.240 1.391 1.351 1.00 0.00 O ATOM 0 H ASP A 71 -12.383 -0.927 3.269 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.727 1.959 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.922 0.147 1.404 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.747 -0.323 2.877 1.00 0.00 H new ATOM 1034 N SER A 72 -12.719 1.810 5.453 1.00 0.00 N ATOM 1035 CA SER A 72 -13.111 2.187 6.839 1.00 0.00 C ATOM 1036 C SER A 72 -12.533 3.574 7.157 1.00 0.00 C ATOM 1037 O SER A 72 -11.848 4.142 6.333 1.00 0.00 O ATOM 1038 CB SER A 72 -12.551 1.156 7.819 1.00 0.00 C ATOM 1039 OG SER A 72 -12.238 -0.038 7.115 1.00 0.00 O ATOM 0 H SER A 72 -11.719 1.868 5.258 1.00 0.00 H new ATOM 0 HA SER A 72 -14.197 2.214 6.928 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.659 1.548 8.308 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.279 0.949 8.603 1.00 0.00 H new ATOM 0 HG SER A 72 -11.267 -0.102 6.995 1.00 0.00 H new ATOM 1045 N PRO A 73 -12.828 4.089 8.335 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.341 5.417 8.755 1.00 0.00 C ATOM 1047 C PRO A 73 -10.872 5.362 9.198 1.00 0.00 C ATOM 1048 O PRO A 73 -10.278 6.372 9.517 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.250 5.779 9.933 1.00 0.00 C ATOM 1050 CG PRO A 73 -13.809 4.445 10.481 1.00 0.00 C ATOM 1051 CD PRO A 73 -13.667 3.408 9.351 1.00 0.00 C ATOM 0 HA PRO A 73 -12.376 6.148 7.947 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.693 6.312 10.703 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.058 6.436 9.612 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.258 4.130 11.367 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.852 4.555 10.777 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.196 2.492 9.708 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.638 3.128 8.943 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.276 4.199 9.222 1.00 0.00 N ATOM 1060 CA GLU A 74 -8.854 4.107 9.642 1.00 0.00 C ATOM 1061 C GLU A 74 -7.974 3.865 8.416 1.00 0.00 C ATOM 1062 O GLU A 74 -6.811 4.211 8.392 1.00 0.00 O ATOM 1063 CB GLU A 74 -8.680 2.955 10.627 1.00 0.00 C ATOM 1064 CG GLU A 74 -8.971 3.445 12.049 1.00 0.00 C ATOM 1065 CD GLU A 74 -10.061 2.575 12.676 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -11.224 2.844 12.424 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -9.716 1.654 13.397 1.00 0.00 O ATOM 0 H GLU A 74 -10.714 3.313 8.969 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.561 5.040 10.123 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.353 2.138 10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.665 2.563 10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.064 3.402 12.653 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.290 4.487 12.028 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.527 3.280 7.391 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.734 3.027 6.155 1.00 0.00 C ATOM 1076 C PHE A 75 -8.122 4.091 5.124 1.00 0.00 C ATOM 1077 O PHE A 75 -7.363 4.998 4.833 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.051 1.629 5.614 1.00 0.00 C ATOM 1079 CG PHE A 75 -6.813 1.050 4.972 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.334 1.593 3.776 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.144 -0.027 5.569 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.189 1.067 3.175 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -4.993 -0.556 4.966 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.516 -0.008 3.769 1.00 0.00 C ATOM 0 H PHE A 75 -9.497 2.965 7.355 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.666 3.079 6.367 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.392 0.982 6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.861 1.683 4.886 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.851 2.422 3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.514 -0.449 6.492 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.822 1.489 2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.475 -1.385 5.425 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.630 -0.414 3.304 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.315 4.015 4.598 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.753 5.048 3.622 1.00 0.00 C ATOM 1096 C TYR A 76 -10.023 6.344 4.386 1.00 0.00 C ATOM 1097 O TYR A 76 -10.076 7.405 3.815 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.028 4.587 2.910 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.291 5.456 1.698 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.253 5.766 0.805 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.582 5.944 1.461 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.509 6.563 -0.320 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.836 6.739 0.336 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.800 7.047 -0.553 1.00 0.00 C ATOM 1105 OH TYR A 76 -12.054 7.829 -1.663 1.00 0.00 O ATOM 0 H TYR A 76 -9.999 3.287 4.801 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.978 5.208 2.872 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.927 3.545 2.605 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.875 4.638 3.594 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.257 5.390 0.985 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.383 5.707 2.146 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.710 6.803 -1.006 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.832 7.115 0.155 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.001 8.081 -1.676 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.187 6.258 5.683 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.430 7.478 6.502 1.00 0.00 C ATOM 1117 C GLY A 77 -9.206 8.386 6.443 1.00 0.00 C ATOM 1118 O GLY A 77 -9.262 9.500 5.961 1.00 0.00 O ATOM 0 H GLY A 77 -10.162 5.385 6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.307 8.008 6.131 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.639 7.199 7.535 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.098 7.912 6.944 1.00 0.00 N ATOM 1123 CA LYS A 78 -6.858 8.740 6.936 1.00 0.00 C ATOM 1124 C LYS A 78 -6.440 9.017 5.499 1.00 0.00 C ATOM 1125 O LYS A 78 -5.648 9.891 5.232 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.741 8.007 7.688 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.307 7.302 8.936 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.396 8.163 9.597 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.308 8.027 11.118 1.00 0.00 C ATOM 1130 NZ LYS A 78 -7.898 9.237 11.759 1.00 0.00 N ATOM 0 H LYS A 78 -7.998 6.986 7.359 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.049 9.689 7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.271 7.275 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.966 8.715 7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.721 6.333 8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.504 7.112 9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.273 9.207 9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.381 7.850 9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.839 7.133 11.445 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.268 7.910 11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.839 9.146 12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.373 10.082 11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.895 9.329 11.476 1.00 0.00 H new ATOM 1144 N PHE A 79 -6.977 8.283 4.572 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.641 8.508 3.154 1.00 0.00 C ATOM 1146 C PHE A 79 -7.447 9.699 2.650 1.00 0.00 C ATOM 1147 O PHE A 79 -6.950 10.521 1.925 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.011 7.251 2.375 1.00 0.00 C ATOM 1149 CG PHE A 79 -6.923 7.478 0.879 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -7.940 8.182 0.220 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -5.845 6.960 0.146 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.882 8.362 -1.166 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.791 7.146 -1.236 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.808 7.841 -1.891 1.00 0.00 C ATOM 0 H PHE A 79 -7.642 7.529 4.743 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.579 8.716 3.027 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.346 6.436 2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.023 6.943 2.638 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.769 8.586 0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.058 6.418 0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.666 8.903 -1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.959 6.751 -1.800 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.765 7.976 -2.962 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.679 9.809 3.050 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.497 10.955 2.610 1.00 0.00 C ATOM 1166 C LYS A 80 -9.135 12.173 3.457 1.00 0.00 C ATOM 1167 O LYS A 80 -9.580 13.274 3.204 1.00 0.00 O ATOM 1168 CB LYS A 80 -10.976 10.632 2.794 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.569 10.172 1.462 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.049 10.553 1.405 1.00 0.00 C ATOM 1171 CE LYS A 80 -13.379 11.111 0.020 1.00 0.00 C ATOM 1172 NZ LYS A 80 -14.849 11.332 -0.088 1.00 0.00 N ATOM 0 H LYS A 80 -9.153 9.148 3.666 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.304 11.162 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.098 9.853 3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.508 11.511 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.031 10.633 0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.456 9.093 1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.668 9.681 1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.274 11.295 2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.846 12.048 -0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.047 10.417 -0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.075 11.712 -1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.347 10.429 0.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.153 12.010 0.640 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.316 11.982 4.455 1.00 0.00 N ATOM 1187 CA GLU A 81 -7.908 13.129 5.311 1.00 0.00 C ATOM 1188 C GLU A 81 -6.576 13.649 4.789 1.00 0.00 C ATOM 1189 O GLU A 81 -6.340 14.838 4.707 1.00 0.00 O ATOM 1190 CB GLU A 81 -7.751 12.660 6.760 1.00 0.00 C ATOM 1191 CG GLU A 81 -9.003 11.895 7.192 1.00 0.00 C ATOM 1192 CD GLU A 81 -9.819 12.756 8.159 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -10.072 13.902 7.829 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -10.177 12.253 9.211 1.00 0.00 O ATOM 0 H GLU A 81 -7.913 11.082 4.714 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.661 13.916 5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.873 12.021 6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.592 13.517 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.605 11.639 6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.722 10.957 7.672 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.717 12.749 4.414 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.395 13.152 3.863 1.00 0.00 C ATOM 1203 C GLY A 82 -4.618 13.764 2.484 1.00 0.00 C ATOM 1204 O GLY A 82 -4.063 14.788 2.149 1.00 0.00 O ATOM 0 H GLY A 82 -5.874 11.742 4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.911 13.871 4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.734 12.288 3.793 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.441 13.140 1.686 1.00 0.00 N ATOM 1209 CA VAL A 83 -5.726 13.682 0.324 1.00 0.00 C ATOM 1210 C VAL A 83 -6.196 15.136 0.447 1.00 0.00 C ATOM 1211 O VAL A 83 -5.871 15.977 -0.367 1.00 0.00 O ATOM 1212 CB VAL A 83 -6.843 12.859 -0.332 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.170 13.440 -1.710 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.399 11.404 -0.491 1.00 0.00 C ATOM 0 H VAL A 83 -5.930 12.276 1.918 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.821 13.629 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.728 12.898 0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.963 12.853 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.499 14.473 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.280 13.408 -2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.199 10.828 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.508 11.362 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.173 10.983 0.489 1.00 0.00 H new ATOM 1224 N ALA A 84 -6.980 15.426 1.450 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.502 16.813 1.622 1.00 0.00 C ATOM 1226 C ALA A 84 -6.510 17.669 2.420 1.00 0.00 C ATOM 1227 O ALA A 84 -6.592 18.881 2.420 1.00 0.00 O ATOM 1228 CB ALA A 84 -8.831 16.751 2.375 1.00 0.00 C ATOM 0 H ALA A 84 -7.283 14.760 2.160 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.641 17.264 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.222 17.760 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.545 16.157 1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.675 16.292 3.351 1.00 0.00 H new ATOM 1234 N SER A 85 -5.583 17.060 3.105 1.00 0.00 N ATOM 1235 CA SER A 85 -4.607 17.860 3.901 1.00 0.00 C ATOM 1236 C SER A 85 -3.410 18.253 3.029 1.00 0.00 C ATOM 1237 O SER A 85 -2.667 19.158 3.355 1.00 0.00 O ATOM 1238 CB SER A 85 -4.119 17.032 5.091 1.00 0.00 C ATOM 1239 OG SER A 85 -4.542 17.652 6.298 1.00 0.00 O ATOM 0 H SER A 85 -5.458 16.049 3.149 1.00 0.00 H new ATOM 0 HA SER A 85 -5.099 18.765 4.259 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.515 16.018 5.031 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.032 16.951 5.071 1.00 0.00 H new ATOM 0 HG SER A 85 -4.233 17.123 7.063 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.213 17.583 1.927 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.062 17.925 1.045 1.00 0.00 C ATOM 1247 C GLY A 86 -0.776 17.317 1.614 1.00 0.00 C ATOM 1248 O GLY A 86 0.315 17.720 1.268 1.00 0.00 O ATOM 0 H GLY A 86 -3.798 16.815 1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.239 17.548 0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.960 19.007 0.967 1.00 0.00 H new ATOM 1252 N ASN A 87 -0.894 16.351 2.487 1.00 0.00 N ATOM 1253 CA ASN A 87 0.325 15.726 3.073 1.00 0.00 C ATOM 1254 C ASN A 87 -0.044 14.381 3.697 1.00 0.00 C ATOM 1255 O ASN A 87 0.170 14.148 4.870 1.00 0.00 O ATOM 1256 CB ASN A 87 0.903 16.648 4.149 1.00 0.00 C ATOM 1257 CG ASN A 87 2.389 16.340 4.346 1.00 0.00 C ATOM 1258 OD1 ASN A 87 3.235 16.942 3.715 1.00 0.00 O ATOM 1259 ND2 ASN A 87 2.745 15.423 5.203 1.00 0.00 N ATOM 0 H ASN A 87 -1.780 15.970 2.818 1.00 0.00 H new ATOM 0 HA ASN A 87 1.068 15.572 2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.773 17.690 3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.365 16.510 5.087 1.00 0.00 H new ATOM 0 HD21 ASN A 87 3.733 15.212 5.343 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.035 14.917 5.733 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.600 13.494 2.918 1.00 0.00 N ATOM 1267 CA LEU A 88 -0.992 12.156 3.454 1.00 0.00 C ATOM 1268 C LEU A 88 0.171 11.536 4.235 1.00 0.00 C ATOM 1269 O LEU A 88 1.248 11.346 3.714 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.364 11.235 2.291 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.460 10.266 2.736 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.649 10.361 1.778 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -1.912 8.837 2.727 1.00 0.00 C ATOM 0 H LEU A 88 -0.801 13.638 1.928 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.845 12.278 4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.709 11.825 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.487 10.680 1.958 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.785 10.526 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.429 9.670 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.041 11.378 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.325 10.103 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.693 8.146 3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.586 8.579 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.066 8.767 3.411 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.043 11.218 5.481 1.00 0.00 N ATOM 1286 CA ASN A 89 1.045 10.604 6.293 1.00 0.00 C ATOM 1287 C ASN A 89 0.424 9.906 7.502 1.00 0.00 C ATOM 1288 O ASN A 89 0.342 10.469 8.576 1.00 0.00 O ATOM 1289 CB ASN A 89 2.007 11.697 6.768 1.00 0.00 C ATOM 1290 CG ASN A 89 3.238 11.054 7.413 1.00 0.00 C ATOM 1291 OD1 ASN A 89 3.550 9.911 7.145 1.00 0.00 O ATOM 1292 ND2 ASN A 89 3.955 11.747 8.255 1.00 0.00 N ATOM 0 H ASN A 89 -0.926 11.357 5.973 1.00 0.00 H new ATOM 0 HA ASN A 89 1.595 9.881 5.691 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.309 12.320 5.926 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.507 12.349 7.485 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.778 11.329 8.689 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.692 12.707 8.479 1.00 0.00 H new ATOM 1299 N THR A 90 -0.031 8.690 7.343 1.00 0.00 N ATOM 1300 CA THR A 90 -0.658 7.991 8.503 1.00 0.00 C ATOM 1301 C THR A 90 -0.402 6.484 8.430 1.00 0.00 C ATOM 1302 O THR A 90 -0.230 5.921 7.370 1.00 0.00 O ATOM 1303 CB THR A 90 -2.168 8.250 8.490 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.760 7.646 9.632 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.779 7.655 7.220 1.00 0.00 C ATOM 0 H THR A 90 0.003 8.158 6.474 1.00 0.00 H new ATOM 0 HA THR A 90 -0.218 8.375 9.424 1.00 0.00 H new ATOM 0 HB THR A 90 -2.353 9.324 8.510 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.549 8.161 9.902 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.853 7.840 7.212 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.324 8.120 6.345 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.596 6.581 7.197 1.00 0.00 H new ATOM 1313 N MET A 91 -0.390 5.830 9.560 1.00 0.00 N ATOM 1314 CA MET A 91 -0.161 4.357 9.581 1.00 0.00 C ATOM 1315 C MET A 91 -1.135 3.721 10.573 1.00 0.00 C ATOM 1316 O MET A 91 -1.846 4.409 11.279 1.00 0.00 O ATOM 1317 CB MET A 91 1.276 4.067 10.019 1.00 0.00 C ATOM 1318 CG MET A 91 1.612 4.903 11.256 1.00 0.00 C ATOM 1319 SD MET A 91 3.388 4.801 11.588 1.00 0.00 S ATOM 1320 CE MET A 91 3.360 5.592 13.216 1.00 0.00 C ATOM 0 H MET A 91 -0.530 6.256 10.476 1.00 0.00 H new ATOM 0 HA MET A 91 -0.322 3.944 8.585 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.392 3.006 10.241 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.968 4.301 9.210 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.320 5.941 11.097 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.049 4.542 12.116 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.373 5.636 13.617 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.962 6.603 13.123 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.728 5.014 13.890 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.177 2.418 10.642 1.00 0.00 N ATOM 1331 CA PHE A 92 -2.118 1.768 11.600 1.00 0.00 C ATOM 1332 C PHE A 92 -2.004 0.249 11.500 1.00 0.00 C ATOM 1333 O PHE A 92 -1.663 -0.291 10.473 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.552 2.187 11.272 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.806 2.028 9.790 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -3.880 0.751 9.222 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -3.981 3.160 8.987 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.122 0.606 7.854 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.223 3.013 7.615 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.293 1.735 7.051 1.00 0.00 C ATOM 0 H PHE A 92 -0.608 1.781 10.084 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.863 2.081 12.612 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.257 1.578 11.838 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.715 3.223 11.569 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.750 -0.123 9.842 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.930 4.146 9.424 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.177 -0.380 7.417 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.355 3.886 6.993 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.480 1.622 5.993 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.309 -0.442 12.561 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.240 -1.927 12.525 1.00 0.00 C ATOM 1352 C GLU A 93 -3.524 -2.449 11.885 1.00 0.00 C ATOM 1353 O GLU A 93 -4.585 -2.407 12.477 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.113 -2.471 13.950 1.00 0.00 C ATOM 1355 CG GLU A 93 -3.247 -1.915 14.813 1.00 0.00 C ATOM 1356 CD GLU A 93 -2.658 -1.132 15.988 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -2.420 0.054 15.827 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -2.454 -1.732 17.031 1.00 0.00 O ATOM 0 H GLU A 93 -2.603 -0.042 13.452 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.374 -2.251 11.948 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.151 -3.560 13.939 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.149 -2.190 14.373 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.889 -1.267 14.216 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.871 -2.729 15.181 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.444 -2.923 10.674 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.668 -3.422 9.997 1.00 0.00 C ATOM 1367 C TYR A 94 -4.635 -4.945 9.906 1.00 0.00 C ATOM 1368 O TYR A 94 -3.667 -5.583 10.272 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.749 -2.829 8.590 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.145 -2.314 8.350 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.713 -1.399 9.244 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -6.874 -2.753 7.238 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.010 -0.923 9.027 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.172 -2.276 7.020 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.739 -1.360 7.917 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.018 -0.888 7.709 1.00 0.00 O ATOM 0 H TYR A 94 -2.586 -2.986 10.126 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.542 -3.120 10.574 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.026 -2.020 8.481 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.495 -3.586 7.848 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.150 -1.061 10.101 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.435 -3.459 6.549 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.449 -0.218 9.717 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.735 -2.613 6.162 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.547 -1.571 7.247 1.00 0.00 H new ATOM 1386 N THR A 95 -5.690 -5.528 9.414 1.00 0.00 N ATOM 1387 CA THR A 95 -5.740 -7.008 9.288 1.00 0.00 C ATOM 1388 C THR A 95 -6.485 -7.369 8.003 1.00 0.00 C ATOM 1389 O THR A 95 -7.676 -7.163 7.887 1.00 0.00 O ATOM 1390 CB THR A 95 -6.477 -7.600 10.493 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.927 -7.066 11.689 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.323 -9.122 10.494 1.00 0.00 C ATOM 0 H THR A 95 -6.525 -5.039 9.092 1.00 0.00 H new ATOM 0 HA THR A 95 -4.728 -7.412 9.255 1.00 0.00 H new ATOM 0 HB THR A 95 -7.535 -7.346 10.432 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.398 -7.442 12.462 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.848 -9.540 11.353 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.745 -9.531 9.576 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.266 -9.381 10.554 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.795 -7.907 7.035 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.480 -8.274 5.758 1.00 0.00 C ATOM 1402 C PHE A 96 -7.213 -9.602 5.946 1.00 0.00 C ATOM 1403 O PHE A 96 -6.632 -10.660 5.832 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.447 -8.421 4.632 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.776 -7.093 4.311 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.243 -5.885 4.859 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.672 -7.079 3.448 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -4.606 -4.677 4.543 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.038 -5.872 3.133 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.503 -4.672 3.678 1.00 0.00 C ATOM 0 H PHE A 96 -4.796 -8.108 7.069 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.190 -7.491 5.492 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.691 -9.150 4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.935 -8.808 3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.094 -5.888 5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.309 -8.004 3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -4.965 -3.750 4.966 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.188 -5.868 2.467 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.013 -3.741 3.433 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.483 -9.556 6.238 1.00 0.00 N ATOM 1421 CA ASP A 97 -9.243 -10.820 6.443 1.00 0.00 C ATOM 1422 C ASP A 97 -10.279 -10.993 5.336 1.00 0.00 C ATOM 1423 O ASP A 97 -11.312 -11.602 5.530 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.944 -10.776 7.803 1.00 0.00 C ATOM 1425 CG ASP A 97 -10.857 -9.550 7.869 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -11.971 -9.639 7.381 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -10.424 -8.542 8.404 1.00 0.00 O ATOM 0 H ASP A 97 -9.027 -8.699 6.343 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.552 -11.663 6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -10.527 -11.685 7.953 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -9.205 -10.736 8.603 1.00 0.00 H new ATOM 1432 N TYR A 98 -10.003 -10.485 4.170 1.00 0.00 N ATOM 1433 CA TYR A 98 -10.967 -10.649 3.048 1.00 0.00 C ATOM 1434 C TYR A 98 -10.781 -12.066 2.492 1.00 0.00 C ATOM 1435 O TYR A 98 -9.741 -12.643 2.706 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.689 -9.571 1.969 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.700 -10.064 0.923 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -8.540 -10.745 1.313 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -9.961 -9.850 -0.432 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -7.643 -11.215 0.350 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -9.063 -10.318 -1.402 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.904 -11.002 -1.011 1.00 0.00 C ATOM 1443 OH TYR A 98 -7.018 -11.464 -1.964 1.00 0.00 O ATOM 0 H TYR A 98 -9.155 -9.965 3.945 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.997 -10.520 3.379 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.624 -9.293 1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.297 -8.672 2.445 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.338 -10.907 2.361 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.855 -9.324 -0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -6.750 -11.741 0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -9.264 -10.151 -2.450 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.243 -11.869 -1.521 1.00 0.00 H new ATOM 1453 N GLN A 99 -11.770 -12.594 1.786 1.00 0.00 N ATOM 1454 CA GLN A 99 -11.711 -13.987 1.173 1.00 0.00 C ATOM 1455 C GLN A 99 -10.377 -14.691 1.454 1.00 0.00 C ATOM 1456 O GLN A 99 -9.590 -14.936 0.561 1.00 0.00 O ATOM 1457 CB GLN A 99 -11.898 -13.871 -0.342 1.00 0.00 C ATOM 1458 CG GLN A 99 -10.883 -12.874 -0.906 1.00 0.00 C ATOM 1459 CD GLN A 99 -11.547 -12.030 -1.993 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -12.665 -11.581 -1.833 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -10.901 -11.792 -3.101 1.00 0.00 N ATOM 0 H GLN A 99 -12.645 -12.104 1.602 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.504 -14.582 1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.766 -14.846 -0.811 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.912 -13.542 -0.570 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.508 -12.231 -0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.025 -13.406 -1.317 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.963 -12.169 -3.235 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.334 -11.229 -3.833 1.00 0.00 H new ATOM 1470 N MET A 100 -10.108 -14.977 2.699 1.00 0.00 N ATOM 1471 CA MET A 100 -8.814 -15.620 3.060 1.00 0.00 C ATOM 1472 C MET A 100 -8.707 -15.711 4.589 1.00 0.00 C ATOM 1473 O MET A 100 -9.699 -15.759 5.287 1.00 0.00 O ATOM 1474 CB MET A 100 -7.661 -14.756 2.526 1.00 0.00 C ATOM 1475 CG MET A 100 -6.608 -15.661 1.882 1.00 0.00 C ATOM 1476 SD MET A 100 -6.824 -15.661 0.087 1.00 0.00 S ATOM 1477 CE MET A 100 -5.426 -14.582 -0.304 1.00 0.00 C ATOM 0 H MET A 100 -10.732 -14.792 3.484 1.00 0.00 H new ATOM 0 HA MET A 100 -8.762 -16.619 2.626 1.00 0.00 H new ATOM 0 HB2 MET A 100 -8.036 -14.039 1.796 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.216 -14.181 3.338 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.608 -15.311 2.138 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.700 -16.676 2.269 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.008 -14.864 -1.270 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.765 -13.547 -0.344 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.661 -14.684 0.466 1.00 0.00 H new ATOM 1487 N THR A 101 -7.509 -15.723 5.114 1.00 0.00 N ATOM 1488 CA THR A 101 -7.340 -15.795 6.593 1.00 0.00 C ATOM 1489 C THR A 101 -7.118 -14.374 7.141 1.00 0.00 C ATOM 1490 O THR A 101 -6.963 -13.447 6.373 1.00 0.00 O ATOM 1491 CB THR A 101 -6.127 -16.674 6.923 1.00 0.00 C ATOM 1492 OG1 THR A 101 -5.351 -16.866 5.750 1.00 0.00 O ATOM 1493 CG2 THR A 101 -6.604 -18.029 7.449 1.00 0.00 C ATOM 0 H THR A 101 -6.641 -15.686 4.580 1.00 0.00 H new ATOM 0 HA THR A 101 -8.231 -16.227 7.050 1.00 0.00 H new ATOM 0 HB THR A 101 -5.520 -16.185 7.685 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.575 -17.426 5.959 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.741 -18.653 7.683 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.199 -17.880 8.350 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.212 -18.521 6.689 1.00 0.00 H new ATOM 1501 N PRO A 102 -7.118 -14.234 8.451 1.00 0.00 N ATOM 1502 CA PRO A 102 -6.925 -12.922 9.097 1.00 0.00 C ATOM 1503 C PRO A 102 -5.446 -12.513 9.096 1.00 0.00 C ATOM 1504 O PRO A 102 -4.751 -12.658 10.082 1.00 0.00 O ATOM 1505 CB PRO A 102 -7.429 -13.146 10.525 1.00 0.00 C ATOM 1506 CG PRO A 102 -7.347 -14.669 10.786 1.00 0.00 C ATOM 1507 CD PRO A 102 -7.309 -15.352 9.405 1.00 0.00 C ATOM 0 HA PRO A 102 -7.451 -12.119 8.581 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.820 -12.596 11.242 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.453 -12.788 10.636 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.457 -14.915 11.365 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.207 -15.010 11.363 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.495 -16.074 9.340 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.233 -15.894 9.203 1.00 0.00 H new ATOM 1515 N THR A 103 -4.966 -11.993 7.999 1.00 0.00 N ATOM 1516 CA THR A 103 -3.541 -11.559 7.929 1.00 0.00 C ATOM 1517 C THR A 103 -3.357 -10.310 8.796 1.00 0.00 C ATOM 1518 O THR A 103 -4.227 -9.472 8.884 1.00 0.00 O ATOM 1519 CB THR A 103 -3.178 -11.236 6.463 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.975 -12.450 5.754 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.900 -10.382 6.384 1.00 0.00 C ATOM 0 H THR A 103 -5.503 -11.849 7.144 1.00 0.00 H new ATOM 0 HA THR A 103 -2.890 -12.354 8.293 1.00 0.00 H new ATOM 0 HB THR A 103 -3.998 -10.671 6.020 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.746 -12.250 4.822 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.668 -10.170 5.340 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.055 -9.445 6.919 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.071 -10.926 6.837 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.217 -10.174 9.410 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.959 -8.970 10.243 1.00 0.00 C ATOM 1531 C LYS A 104 -0.797 -8.200 9.621 1.00 0.00 C ATOM 1532 O LYS A 104 0.169 -8.784 9.172 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.586 -9.393 11.668 1.00 0.00 C ATOM 1534 CG LYS A 104 -1.980 -8.288 12.650 1.00 0.00 C ATOM 1535 CD LYS A 104 -2.595 -8.915 13.903 1.00 0.00 C ATOM 1536 CE LYS A 104 -1.840 -8.430 15.141 1.00 0.00 C ATOM 1537 NZ LYS A 104 -0.916 -9.502 15.612 1.00 0.00 N ATOM 0 H LYS A 104 -1.451 -10.847 9.371 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.851 -8.346 10.284 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.094 -10.322 11.927 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.515 -9.586 11.732 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.105 -7.696 12.918 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.693 -7.609 12.183 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.648 -8.645 13.978 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.548 -10.002 13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.277 -7.527 14.906 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.545 -8.170 15.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.402 -9.172 16.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.465 -10.352 15.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.236 -9.730 14.859 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.876 -6.899 9.576 1.00 0.00 N ATOM 1552 CA VAL A 105 0.234 -6.116 8.965 1.00 0.00 C ATOM 1553 C VAL A 105 0.244 -4.693 9.530 1.00 0.00 C ATOM 1554 O VAL A 105 -0.795 -4.097 9.736 1.00 0.00 O ATOM 1555 CB VAL A 105 0.012 -6.026 7.447 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.163 -7.430 6.862 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.252 -5.208 7.143 1.00 0.00 C ATOM 0 H VAL A 105 -1.656 -6.347 9.933 1.00 0.00 H new ATOM 0 HA VAL A 105 1.179 -6.611 9.188 1.00 0.00 H new ATOM 0 HB VAL A 105 0.880 -5.541 7.001 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.320 -7.359 5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.731 -8.021 7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.025 -7.911 7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.398 -5.152 6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.116 -5.689 7.602 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.140 -4.202 7.547 1.00 0.00 H new ATOM 1567 N LYS A 106 1.397 -4.113 9.705 1.00 0.00 N ATOM 1568 CA LYS A 106 1.434 -2.698 10.165 1.00 0.00 C ATOM 1569 C LYS A 106 1.571 -1.873 8.892 1.00 0.00 C ATOM 1570 O LYS A 106 2.531 -2.001 8.172 1.00 0.00 O ATOM 1571 CB LYS A 106 2.599 -2.430 11.139 1.00 0.00 C ATOM 1572 CG LYS A 106 3.920 -2.965 10.586 1.00 0.00 C ATOM 1573 CD LYS A 106 4.134 -4.399 11.077 1.00 0.00 C ATOM 1574 CE LYS A 106 5.396 -4.458 11.939 1.00 0.00 C ATOM 1575 NZ LYS A 106 6.598 -4.299 11.071 1.00 0.00 N ATOM 0 H LYS A 106 2.305 -4.551 9.552 1.00 0.00 H new ATOM 0 HA LYS A 106 0.536 -2.441 10.727 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.685 -1.359 11.320 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.388 -2.899 12.100 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.907 -2.940 9.496 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.746 -2.331 10.910 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.271 -4.730 11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 106 4.228 -5.076 10.228 1.00 0.00 H new ATOM 0 HE2 LYS A 106 5.372 -3.671 12.693 1.00 0.00 H new ATOM 0 HE3 LYS A 106 5.442 -5.408 12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.452 -4.539 11.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.520 -4.932 10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.662 -3.314 10.743 1.00 0.00 H new ATOM 1589 N VAL A 107 0.576 -1.095 8.571 1.00 0.00 N ATOM 1590 CA VAL A 107 0.594 -0.316 7.289 1.00 0.00 C ATOM 1591 C VAL A 107 1.282 1.039 7.489 1.00 0.00 C ATOM 1592 O VAL A 107 1.472 1.515 8.593 1.00 0.00 O ATOM 1593 CB VAL A 107 -0.886 -0.122 6.764 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.827 -1.138 7.412 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.423 1.301 7.029 1.00 0.00 C ATOM 0 H VAL A 107 -0.258 -0.960 9.142 1.00 0.00 H new ATOM 0 HA VAL A 107 1.163 -0.872 6.544 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.854 -0.279 5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.839 -0.987 7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.496 -2.148 7.168 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.817 -1.005 8.494 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.442 1.382 6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.418 1.498 8.101 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.789 2.029 6.523 1.00 0.00 H new ATOM 1605 N HIS A 108 1.585 1.675 6.393 1.00 0.00 N ATOM 1606 CA HIS A 108 2.201 3.035 6.423 1.00 0.00 C ATOM 1607 C HIS A 108 1.997 3.666 5.045 1.00 0.00 C ATOM 1608 O HIS A 108 2.673 3.322 4.108 1.00 0.00 O ATOM 1609 CB HIS A 108 3.693 2.951 6.727 1.00 0.00 C ATOM 1610 CG HIS A 108 4.245 4.348 6.781 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.601 4.614 6.707 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.627 5.569 6.888 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.754 5.952 6.770 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.582 6.581 6.881 1.00 0.00 N ATOM 0 H HIS A 108 1.429 1.303 5.456 1.00 0.00 H new ATOM 0 HA HIS A 108 1.733 3.634 7.204 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.859 2.441 7.676 1.00 0.00 H new ATOM 0 HB3 HIS A 108 4.204 2.370 5.959 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.561 5.721 6.966 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.709 6.454 6.735 1.00 0.00 H new ATOM 0 HE2 HIS A 108 4.421 7.586 6.947 1.00 0.00 H new ATOM 1622 N MET A 109 1.048 4.553 4.907 1.00 0.00 N ATOM 1623 CA MET A 109 0.775 5.162 3.563 1.00 0.00 C ATOM 1624 C MET A 109 1.140 6.649 3.562 1.00 0.00 C ATOM 1625 O MET A 109 1.034 7.313 4.575 1.00 0.00 O ATOM 1626 CB MET A 109 -0.728 5.044 3.248 1.00 0.00 C ATOM 1627 CG MET A 109 -1.362 3.871 4.015 1.00 0.00 C ATOM 1628 SD MET A 109 -3.150 3.860 3.730 1.00 0.00 S ATOM 1629 CE MET A 109 -3.580 5.116 4.960 1.00 0.00 C ATOM 0 H MET A 109 0.448 4.885 5.663 1.00 0.00 H new ATOM 0 HA MET A 109 1.373 4.636 2.819 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.233 5.973 3.514 1.00 0.00 H new ATOM 0 HB3 MET A 109 -0.868 4.901 2.177 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.925 2.928 3.686 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.153 3.964 5.081 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.644 5.051 5.189 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.002 4.948 5.869 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.354 6.106 4.564 1.00 0.00 H new ATOM 1639 N LYS A 110 1.543 7.201 2.434 1.00 0.00 N ATOM 1640 CA LYS A 110 1.865 8.661 2.430 1.00 0.00 C ATOM 1641 C LYS A 110 1.452 9.263 1.086 1.00 0.00 C ATOM 1642 O LYS A 110 1.043 8.562 0.188 1.00 0.00 O ATOM 1643 CB LYS A 110 3.365 8.862 2.652 1.00 0.00 C ATOM 1644 CG LYS A 110 3.599 10.099 3.517 1.00 0.00 C ATOM 1645 CD LYS A 110 5.089 10.228 3.833 1.00 0.00 C ATOM 1646 CE LYS A 110 5.520 11.684 3.656 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.696 11.965 4.527 1.00 0.00 N ATOM 0 H LYS A 110 1.659 6.716 1.544 1.00 0.00 H new ATOM 0 HA LYS A 110 1.321 9.157 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.791 7.983 3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.872 8.976 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.248 10.991 2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.026 10.023 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.285 9.900 4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.669 9.582 3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.773 11.875 2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.697 12.351 3.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.989 12.956 4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.439 11.799 5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.482 11.337 4.263 1.00 0.00 H new ATOM 1661 N LYS A 111 1.550 10.555 0.934 1.00 0.00 N ATOM 1662 CA LYS A 111 1.155 11.179 -0.360 1.00 0.00 C ATOM 1663 C LYS A 111 2.321 11.075 -1.342 1.00 0.00 C ATOM 1664 O LYS A 111 3.295 11.796 -1.247 1.00 0.00 O ATOM 1665 CB LYS A 111 0.788 12.650 -0.136 1.00 0.00 C ATOM 1666 CG LYS A 111 0.516 13.330 -1.483 1.00 0.00 C ATOM 1667 CD LYS A 111 -0.476 14.479 -1.290 1.00 0.00 C ATOM 1668 CE LYS A 111 -0.416 15.416 -2.499 1.00 0.00 C ATOM 1669 NZ LYS A 111 0.008 16.775 -2.056 1.00 0.00 N ATOM 0 H LYS A 111 1.885 11.203 1.647 1.00 0.00 H new ATOM 0 HA LYS A 111 0.288 10.659 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -0.093 12.721 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.599 13.161 0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.447 13.708 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 111 0.115 12.606 -2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -1.486 14.085 -1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -0.239 15.028 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.285 15.028 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -1.392 15.467 -2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -0.065 17.439 -2.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -0.607 17.095 -1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 0.993 16.740 -1.724 1.00 0.00 H new ATOM 1683 N ALA A 112 2.225 10.181 -2.286 1.00 0.00 N ATOM 1684 CA ALA A 112 3.318 10.020 -3.282 1.00 0.00 C ATOM 1685 C ALA A 112 3.637 11.375 -3.921 1.00 0.00 C ATOM 1686 O ALA A 112 2.753 12.141 -4.247 1.00 0.00 O ATOM 1687 CB ALA A 112 2.868 9.033 -4.356 1.00 0.00 C ATOM 0 H ALA A 112 1.432 9.552 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 112 4.214 9.642 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.663 8.908 -5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.645 8.071 -3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.974 9.415 -4.849 1.00 0.00 H new ATOM 1693 N LEU A 113 4.896 11.679 -4.093 1.00 0.00 N ATOM 1694 CA LEU A 113 5.272 12.990 -4.699 1.00 0.00 C ATOM 1695 C LEU A 113 5.389 12.866 -6.223 1.00 0.00 C ATOM 1696 O LEU A 113 5.745 13.811 -6.901 1.00 0.00 O ATOM 1697 CB LEU A 113 6.617 13.437 -4.125 1.00 0.00 C ATOM 1698 CG LEU A 113 6.662 14.963 -4.054 1.00 0.00 C ATOM 1699 CD1 LEU A 113 6.529 15.409 -2.597 1.00 0.00 C ATOM 1700 CD2 LEU A 113 7.995 15.458 -4.618 1.00 0.00 C ATOM 0 H LEU A 113 5.680 11.077 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 113 4.499 13.722 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 113 6.759 13.012 -3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.431 13.068 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 113 5.841 15.380 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.561 16.497 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.581 15.054 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.350 14.994 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.029 16.546 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.815 15.042 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.092 15.139 -5.656 1.00 0.00 H new ATOM 1712 N SER A 114 5.096 11.718 -6.775 1.00 0.00 N ATOM 1713 CA SER A 114 5.198 11.559 -8.252 1.00 0.00 C ATOM 1714 C SER A 114 4.245 12.537 -8.939 1.00 0.00 C ATOM 1715 O SER A 114 4.534 13.062 -9.996 1.00 0.00 O ATOM 1716 CB SER A 114 4.823 10.128 -8.638 1.00 0.00 C ATOM 1717 OG SER A 114 5.330 9.844 -9.936 1.00 0.00 O ATOM 0 H SER A 114 4.792 10.887 -6.267 1.00 0.00 H new ATOM 0 HA SER A 114 6.220 11.766 -8.568 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.232 9.424 -7.913 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.740 10.007 -8.623 1.00 0.00 H new ATOM 0 HG SER A 114 5.093 8.927 -10.186 1.00 0.00 H new ATOM 1723 N GLY A 115 3.108 12.784 -8.348 1.00 0.00 N ATOM 1724 CA GLY A 115 2.134 13.726 -8.967 1.00 0.00 C ATOM 1725 C GLY A 115 0.819 13.677 -8.189 1.00 0.00 C ATOM 1726 O GLY A 115 -0.218 13.337 -8.722 1.00 0.00 O ATOM 0 H GLY A 115 2.812 12.374 -7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.536 14.739 -8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 115 1.963 13.458 -10.010 1.00 0.00 H new ATOM 1730 N ASP A 116 0.855 14.012 -6.927 1.00 0.00 N ATOM 1731 CA ASP A 116 -0.393 13.981 -6.113 1.00 0.00 C ATOM 1732 C ASP A 116 -0.950 12.556 -6.103 1.00 0.00 C ATOM 1733 O ASP A 116 -1.967 12.274 -6.705 1.00 0.00 O ATOM 1734 CB ASP A 116 -1.426 14.931 -6.721 1.00 0.00 C ATOM 1735 CG ASP A 116 -0.831 16.337 -6.822 1.00 0.00 C ATOM 1736 OD1 ASP A 116 -0.095 16.713 -5.925 1.00 0.00 O ATOM 1737 OD2 ASP A 116 -1.122 17.014 -7.793 1.00 0.00 O ATOM 0 H ASP A 116 1.694 14.305 -6.426 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.173 14.296 -5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.722 14.578 -7.709 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -2.326 14.949 -6.106 1.00 0.00 H new ATOM 1742 N SER A 117 -0.292 11.655 -5.427 1.00 0.00 N ATOM 1743 CA SER A 117 -0.788 10.251 -5.389 1.00 0.00 C ATOM 1744 C SER A 117 -0.998 9.810 -3.940 1.00 0.00 C ATOM 1745 O SER A 117 -0.984 10.610 -3.025 1.00 0.00 O ATOM 1746 CB SER A 117 0.229 9.328 -6.059 1.00 0.00 C ATOM 1747 OG SER A 117 -0.421 8.570 -7.071 1.00 0.00 O ATOM 0 H SER A 117 0.564 11.829 -4.901 1.00 0.00 H new ATOM 0 HA SER A 117 -1.737 10.196 -5.922 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.040 9.914 -6.492 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.676 8.663 -5.320 1.00 0.00 H new ATOM 0 HG SER A 117 -1.348 8.395 -6.804 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.200 8.539 -3.734 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.429 8.017 -2.355 1.00 0.00 C ATOM 1755 C TYR A 118 -0.917 6.581 -2.293 1.00 0.00 C ATOM 1756 O TYR A 118 -1.546 5.679 -2.813 1.00 0.00 O ATOM 1757 CB TYR A 118 -2.937 8.027 -2.066 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.520 9.336 -2.496 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.315 10.486 -1.730 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.269 9.394 -3.669 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -3.863 11.699 -2.144 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.817 10.602 -4.085 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.617 11.761 -3.323 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.160 12.961 -3.735 1.00 0.00 O ATOM 0 H TYR A 118 -1.217 7.831 -4.468 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.909 8.634 -1.622 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.425 7.208 -2.595 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.115 7.870 -1.002 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.734 10.436 -0.821 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.424 8.500 -4.255 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.706 12.591 -1.556 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.397 10.647 -4.995 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.652 12.827 -4.572 1.00 0.00 H new ATOM 1774 N TRP A 119 0.220 6.343 -1.684 1.00 0.00 N ATOM 1775 CA TRP A 119 0.721 4.948 -1.638 1.00 0.00 C ATOM 1776 C TRP A 119 0.562 4.330 -0.256 1.00 0.00 C ATOM 1777 O TRP A 119 0.729 4.967 0.755 1.00 0.00 O ATOM 1778 CB TRP A 119 2.164 4.849 -2.152 1.00 0.00 C ATOM 1779 CG TRP A 119 3.087 5.838 -1.534 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.651 6.886 -2.156 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.624 5.817 -0.210 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.506 7.523 -1.275 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.521 6.890 -0.053 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.400 4.969 0.852 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 5.192 7.100 1.146 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 4.066 5.165 2.068 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.966 6.227 2.212 1.00 0.00 C ATOM 0 H TRP A 119 0.806 7.042 -1.228 1.00 0.00 H new ATOM 0 HA TRP A 119 0.100 4.361 -2.315 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.541 3.844 -1.960 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.166 4.989 -3.233 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.467 7.183 -3.178 1.00 0.00 H new ATOM 0 HE1 TRP A 119 5.054 8.353 -1.501 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.706 4.148 0.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.879 7.927 1.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.885 4.496 2.896 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.486 6.371 3.148 1.00 0.00 H new ATOM 1798 N VAL A 120 0.212 3.070 -0.236 1.00 0.00 N ATOM 1799 CA VAL A 120 0.006 2.338 1.046 1.00 0.00 C ATOM 1800 C VAL A 120 1.033 1.204 1.144 1.00 0.00 C ATOM 1801 O VAL A 120 1.044 0.294 0.339 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.409 1.735 1.071 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.640 1.022 2.404 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.449 2.844 0.898 1.00 0.00 C ATOM 0 H VAL A 120 0.058 2.508 -1.073 1.00 0.00 H new ATOM 0 HA VAL A 120 0.126 3.026 1.883 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.507 1.020 0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.643 0.596 2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.905 0.226 2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.537 1.736 3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.449 2.411 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.351 3.565 1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.289 3.347 -0.056 1.00 0.00 H new ATOM 1814 N PHE A 121 1.890 1.245 2.126 1.00 0.00 N ATOM 1815 CA PHE A 121 2.906 0.164 2.276 1.00 0.00 C ATOM 1816 C PHE A 121 2.463 -0.787 3.384 1.00 0.00 C ATOM 1817 O PHE A 121 2.311 -0.392 4.521 1.00 0.00 O ATOM 1818 CB PHE A 121 4.276 0.762 2.650 1.00 0.00 C ATOM 1819 CG PHE A 121 4.745 1.759 1.605 1.00 0.00 C ATOM 1820 CD1 PHE A 121 4.198 1.761 0.310 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.740 2.685 1.936 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.642 2.693 -0.639 1.00 0.00 C ATOM 1823 CE2 PHE A 121 6.176 3.612 0.988 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.627 3.618 -0.293 1.00 0.00 C ATOM 0 H PHE A 121 1.931 1.980 2.832 1.00 0.00 H new ATOM 0 HA PHE A 121 2.996 -0.370 1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.208 1.254 3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 121 5.010 -0.038 2.748 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.435 1.044 0.046 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.171 2.683 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 121 4.223 2.695 -1.634 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.942 4.328 1.248 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.965 4.341 -1.020 1.00 0.00 H new ATOM 1834 N VAL A 122 2.245 -2.036 3.075 1.00 0.00 N ATOM 1835 CA VAL A 122 1.811 -2.978 4.135 1.00 0.00 C ATOM 1836 C VAL A 122 2.994 -3.822 4.603 1.00 0.00 C ATOM 1837 O VAL A 122 3.699 -4.428 3.825 1.00 0.00 O ATOM 1838 CB VAL A 122 0.650 -3.854 3.597 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.794 -5.333 4.001 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.661 -3.320 4.164 1.00 0.00 C ATOM 0 H VAL A 122 2.348 -2.438 2.143 1.00 0.00 H new ATOM 0 HA VAL A 122 1.446 -2.425 5.000 1.00 0.00 H new ATOM 0 HB VAL A 122 0.669 -3.804 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.044 -5.903 3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.727 -5.730 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.801 -5.414 5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.490 -3.925 3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.633 -3.367 5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.799 -2.286 3.849 1.00 0.00 H new ATOM 1850 N LYS A 123 3.185 -3.864 5.888 1.00 0.00 N ATOM 1851 CA LYS A 123 4.291 -4.666 6.468 1.00 0.00 C ATOM 1852 C LYS A 123 3.704 -5.949 7.044 1.00 0.00 C ATOM 1853 O LYS A 123 2.820 -5.906 7.875 1.00 0.00 O ATOM 1854 CB LYS A 123 4.939 -3.856 7.589 1.00 0.00 C ATOM 1855 CG LYS A 123 6.426 -3.675 7.310 1.00 0.00 C ATOM 1856 CD LYS A 123 6.632 -2.323 6.628 1.00 0.00 C ATOM 1857 CE LYS A 123 8.122 -1.979 6.579 1.00 0.00 C ATOM 1858 NZ LYS A 123 8.899 -3.116 6.004 1.00 0.00 N ATOM 0 H LYS A 123 2.612 -3.369 6.571 1.00 0.00 H new ATOM 0 HA LYS A 123 5.035 -4.907 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.455 -2.883 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.799 -4.364 8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 123 6.994 -3.721 8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.792 -4.480 6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.224 -2.351 5.618 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.090 -1.548 7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.276 -1.084 5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.483 -1.754 7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 9.861 -2.797 5.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.948 -3.889 6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 8.430 -3.456 5.140 1.00 0.00 H new ATOM 1872 N ARG A 124 4.168 -7.095 6.620 1.00 0.00 N ATOM 1873 CA ARG A 124 3.586 -8.347 7.184 1.00 0.00 C ATOM 1874 C ARG A 124 4.168 -8.586 8.578 1.00 0.00 C ATOM 1875 O ARG A 124 5.364 -8.696 8.760 1.00 0.00 O ATOM 1876 CB ARG A 124 3.880 -9.537 6.254 1.00 0.00 C ATOM 1877 CG ARG A 124 3.499 -10.854 6.946 1.00 0.00 C ATOM 1878 CD ARG A 124 2.817 -11.788 5.944 1.00 0.00 C ATOM 1879 NE ARG A 124 2.373 -13.027 6.645 1.00 0.00 N ATOM 1880 CZ ARG A 124 2.011 -14.076 5.956 1.00 0.00 C ATOM 1881 NH1 ARG A 124 2.914 -14.885 5.472 1.00 0.00 N ATOM 1882 NH2 ARG A 124 0.744 -14.316 5.754 1.00 0.00 N ATOM 0 H ARG A 124 4.905 -7.218 5.926 1.00 0.00 H new ATOM 0 HA ARG A 124 2.504 -8.245 7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.320 -9.430 5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.937 -9.549 5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.390 -11.332 7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.831 -10.655 7.784 1.00 0.00 H new ATOM 0 HD2 ARG A 124 1.962 -11.289 5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.506 -12.040 5.138 1.00 0.00 H new ATOM 0 HE ARG A 124 2.352 -13.055 7.664 1.00 0.00 H new ATOM 0 HH11 ARG A 124 3.904 -14.698 5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.630 -15.704 4.934 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.038 -13.685 6.134 1.00 0.00 H new ATOM 0 HH22 ARG A 124 0.459 -15.135 5.216 1.00 0.00 H new ATOM 1896 N VAL A 125 3.316 -8.653 9.565 1.00 0.00 N ATOM 1897 CA VAL A 125 3.793 -8.870 10.961 1.00 0.00 C ATOM 1898 C VAL A 125 3.883 -10.372 11.235 1.00 0.00 C ATOM 1899 O VAL A 125 3.755 -10.752 12.386 1.00 0.00 O ATOM 1900 CB VAL A 125 2.819 -8.226 11.968 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.612 -7.630 13.118 1.00 0.00 C ATOM 1902 CG2 VAL A 125 2.018 -7.100 11.316 1.00 0.00 C ATOM 1903 OXT VAL A 125 4.077 -11.116 10.287 1.00 0.00 O ATOM 0 H VAL A 125 2.305 -8.566 9.464 1.00 0.00 H new ATOM 0 HA VAL A 125 4.774 -8.410 11.075 1.00 0.00 H new ATOM 0 HB VAL A 125 2.135 -8.999 12.318 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.928 -7.173 13.833 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.182 -8.416 13.613 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.295 -6.872 12.735 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.339 -6.664 12.049 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.700 -6.332 10.952 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.442 -7.499 10.481 1.00 0.00 H new TER 1913 VAL A 125 HETATM 1914 C1 HC4 A 126 -9.171 -6.019 3.539 1.00 0.00 C HETATM 1915 O1 HC4 A 126 -10.156 -6.708 3.363 1.00 0.00 O HETATM 1916 C2 HC4 A 126 -7.918 -6.108 2.711 1.00 0.00 C HETATM 1917 C3 HC4 A 126 -7.896 -6.978 1.743 1.00 0.00 C HETATM 1918 C1' HC4 A 126 -6.693 -7.143 0.871 1.00 0.00 C HETATM 1919 C2' HC4 A 126 -6.740 -8.099 -0.158 1.00 0.00 C HETATM 1920 C3' HC4 A 126 -5.629 -8.272 -0.994 1.00 0.00 C HETATM 1921 C4' HC4 A 126 -4.476 -7.493 -0.794 1.00 0.00 C HETATM 1922 C5' HC4 A 126 -4.422 -6.536 0.242 1.00 0.00 C HETATM 1923 C6' HC4 A 126 -5.537 -6.357 1.079 1.00 0.00 C HETATM 1924 O4' HC4 A 126 -3.520 -7.651 -1.521 1.00 0.00 O HETATM 0 H6' HC4 A 126 -5.510 -5.619 1.881 1.00 0.00 H new HETATM 0 H5' HC4 A 126 -3.522 -5.940 0.392 1.00 0.00 H new HETATM 0 H3' HC4 A 126 -5.659 -9.008 -1.797 1.00 0.00 H new HETATM 0 H3 HC4 A 126 -8.773 -7.599 1.564 1.00 0.00 H new HETATM 0 H2' HC4 A 126 -7.636 -8.703 -0.305 1.00 0.00 H new HETATM 0 H2 HC4 A 126 -7.060 -5.467 2.914 1.00 0.00 H new