USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 984 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 112 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 87 GLN : amide:sc= -1.02 K(o=-2.7,f=-0.62) USER MOD Set 2.2: A 89 HIS : no HE2:sc= -1.7 K(o=-2.7,f=-4.9) USER MOD Set 3.1: A 12 SER OG : rot 180:sc= -0.349 USER MOD Set 3.2: A 61 SER OG : rot -61:sc= 0.419 USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.0567 (180deg=0) USER MOD Single : A 2 SER OG : rot 68:sc= 1.22 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 47:sc= 1.26 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 170:sc= -1.83 USER MOD Single : A 17 ASN : amide:sc= -0.403 K(o=-0.4,f=-2.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.349 K(o=-0.35,f=-1.4) USER MOD Single : A 20 THR OG1 : rot -100:sc= 0.0879 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 30:sc= -0.0749 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 146:sc= -2.25! (180deg=-5.25!) USER MOD Single : A 44 ASN : amide:sc= -1.27! C(o=-1.3!,f=-6.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.211 USER MOD Single : A 51 GLN : amide:sc= -0.0948 X(o=-0.095,f=-0.13) USER MOD Single : A 57 SER OG : rot 180:sc= -0.148 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0279 X(o=-0.028,f=-0.22) USER MOD Single : A 70 GLN : amide:sc= -0.219 K(o=-0.22,f=-2.6!) USER MOD Single : A 71 HIS : no HD1:sc= -6.19! C(o=-6.2!,f=-5.7!) USER MOD Single : A 72 GLN : amide:sc= -0.239 K(o=-0.24,f=-2.8!) USER MOD Single : A 74 HIS : no HD1:sc= -0.03 X(o=-0.03,f=-0.0045) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 178:sc= -1.02 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.837 K(o=-0.84,f=-3.5) USER MOD Single : A 82 MET CE :methyl 179:sc= 0 (180deg=-0.00344) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 92 MET CE :methyl -160:sc= -2.15 (180deg=-3.25!) USER MOD Single : A 94 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.2) USER MOD Single : A 98 MET CE :methyl 178:sc= -0.941 (180deg=-0.95) USER MOD Single : A 104 ASN : amide:sc= 0.869 K(o=0.87,f=-0.54) USER MOD Single : A 105 TYR OH : rot 115:sc= -0.0807 USER MOD Single : A 109 LYS NZ :NH3+ 160:sc= -0.0331 (180deg=-0.41) USER MOD Single : A 110 ASN : amide:sc= -1.87 K(o=-1.9,f=-3.9) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= 0.311 K(o=0.31,f=-2.4!) USER MOD Single : A 125 SER OG : rot 48:sc= 0.548 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.562 -3.882 -5.871 1.00 0.00 N ATOM 2 CA GLY A 1 17.498 -3.164 -4.609 1.00 0.00 C ATOM 3 C GLY A 1 17.365 -4.133 -3.433 1.00 0.00 C ATOM 4 O GLY A 1 17.776 -5.289 -3.526 1.00 0.00 O ATOM 0 H1 GLY A 1 18.172 -3.363 -6.535 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.954 -4.832 -5.710 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.606 -3.965 -6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.395 -2.558 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.650 -2.480 -4.619 1.00 0.00 H new ATOM 8 N SER A 2 16.791 -3.626 -2.352 1.00 0.00 N ATOM 9 CA SER A 2 16.599 -4.432 -1.159 1.00 0.00 C ATOM 10 C SER A 2 15.900 -3.607 -0.076 1.00 0.00 C ATOM 11 O SER A 2 16.383 -2.542 0.306 1.00 0.00 O ATOM 12 CB SER A 2 17.932 -4.971 -0.637 1.00 0.00 C ATOM 13 OG SER A 2 18.228 -6.262 -1.161 1.00 0.00 O ATOM 0 H SER A 2 16.453 -2.667 -2.278 1.00 0.00 H new ATOM 0 HA SER A 2 15.971 -5.284 -1.420 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.732 -4.280 -0.903 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.902 -5.020 0.451 1.00 0.00 H new ATOM 0 HG SER A 2 18.408 -6.192 -2.122 1.00 0.00 H new ATOM 19 N SER A 3 14.774 -4.130 0.388 1.00 0.00 N ATOM 20 CA SER A 3 14.004 -3.454 1.418 1.00 0.00 C ATOM 21 C SER A 3 13.327 -4.484 2.325 1.00 0.00 C ATOM 22 O SER A 3 12.730 -5.445 1.841 1.00 0.00 O ATOM 23 CB SER A 3 12.960 -2.521 0.803 1.00 0.00 C ATOM 24 OG SER A 3 12.574 -1.485 1.703 1.00 0.00 O ATOM 0 H SER A 3 14.377 -5.014 0.069 1.00 0.00 H new ATOM 0 HA SER A 3 14.687 -2.848 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.361 -2.078 -0.109 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.081 -3.099 0.517 1.00 0.00 H new ATOM 0 HG SER A 3 11.908 -0.909 1.273 1.00 0.00 H new ATOM 30 N GLY A 4 13.443 -4.249 3.624 1.00 0.00 N ATOM 31 CA GLY A 4 12.850 -5.144 4.602 1.00 0.00 C ATOM 32 C GLY A 4 11.353 -4.870 4.759 1.00 0.00 C ATOM 33 O GLY A 4 10.916 -4.359 5.790 1.00 0.00 O ATOM 0 H GLY A 4 13.939 -3.451 4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.004 -6.178 4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.349 -5.020 5.563 1.00 0.00 H new ATOM 37 N SER A 5 10.607 -5.221 3.722 1.00 0.00 N ATOM 38 CA SER A 5 9.168 -5.019 3.732 1.00 0.00 C ATOM 39 C SER A 5 8.547 -5.622 2.470 1.00 0.00 C ATOM 40 O SER A 5 8.580 -5.009 1.404 1.00 0.00 O ATOM 41 CB SER A 5 8.821 -3.533 3.837 1.00 0.00 C ATOM 42 OG SER A 5 8.664 -3.115 5.190 1.00 0.00 O ATOM 0 H SER A 5 10.972 -5.644 2.869 1.00 0.00 H new ATOM 0 HA SER A 5 8.758 -5.522 4.607 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.606 -2.943 3.364 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.900 -3.336 3.288 1.00 0.00 H new ATOM 0 HG SER A 5 9.413 -3.451 5.725 1.00 0.00 H new ATOM 48 N SER A 6 7.994 -6.815 2.633 1.00 0.00 N ATOM 49 CA SER A 6 7.366 -7.507 1.521 1.00 0.00 C ATOM 50 C SER A 6 6.006 -8.062 1.951 1.00 0.00 C ATOM 51 O SER A 6 5.927 -9.154 2.510 1.00 0.00 O ATOM 52 CB SER A 6 8.258 -8.634 0.999 1.00 0.00 C ATOM 53 OG SER A 6 9.492 -8.142 0.482 1.00 0.00 O ATOM 0 H SER A 6 7.968 -7.320 3.519 1.00 0.00 H new ATOM 0 HA SER A 6 7.220 -6.792 0.712 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.458 -9.341 1.804 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.730 -9.182 0.218 1.00 0.00 H new ATOM 0 HG SER A 6 10.034 -8.892 0.160 1.00 0.00 H new ATOM 59 N GLY A 7 4.970 -7.284 1.672 1.00 0.00 N ATOM 60 CA GLY A 7 3.618 -7.685 2.023 1.00 0.00 C ATOM 61 C GLY A 7 2.596 -7.047 1.081 1.00 0.00 C ATOM 62 O GLY A 7 2.869 -6.016 0.468 1.00 0.00 O ATOM 0 H GLY A 7 5.040 -6.379 1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.533 -8.771 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.403 -7.392 3.051 1.00 0.00 H new ATOM 66 N PRO A 8 1.408 -7.704 0.991 1.00 0.00 N ATOM 67 CA PRO A 8 0.344 -7.213 0.133 1.00 0.00 C ATOM 68 C PRO A 8 -0.340 -5.992 0.753 1.00 0.00 C ATOM 69 O PRO A 8 -0.801 -6.045 1.892 1.00 0.00 O ATOM 70 CB PRO A 8 -0.597 -8.394 -0.043 1.00 0.00 C ATOM 71 CG PRO A 8 -0.275 -9.356 1.089 1.00 0.00 C ATOM 72 CD PRO A 8 1.050 -8.928 1.701 1.00 0.00 C ATOM 0 HA PRO A 8 0.710 -6.865 -0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.638 -8.074 0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.450 -8.869 -1.013 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.065 -9.340 1.840 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.211 -10.378 0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.952 -8.750 2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.812 -9.697 1.573 1.00 0.00 H new ATOM 80 N VAL A 9 -0.383 -4.920 -0.025 1.00 0.00 N ATOM 81 CA VAL A 9 -1.002 -3.688 0.433 1.00 0.00 C ATOM 82 C VAL A 9 -1.955 -3.169 -0.646 1.00 0.00 C ATOM 83 O VAL A 9 -1.525 -2.828 -1.747 1.00 0.00 O ATOM 84 CB VAL A 9 0.075 -2.672 0.817 1.00 0.00 C ATOM 85 CG1 VAL A 9 -0.535 -1.290 1.061 1.00 0.00 C ATOM 86 CG2 VAL A 9 0.864 -3.146 2.039 1.00 0.00 C ATOM 0 H VAL A 9 0.001 -4.879 -0.969 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.594 -3.869 1.330 1.00 0.00 H new ATOM 0 HB VAL A 9 0.769 -2.588 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.253 -0.587 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.031 -0.946 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.262 -1.351 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.623 -2.406 2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.186 -3.273 2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.346 -4.098 1.814 1.00 0.00 H new ATOM 96 N ASP A 10 -3.231 -3.127 -0.293 1.00 0.00 N ATOM 97 CA ASP A 10 -4.248 -2.655 -1.217 1.00 0.00 C ATOM 98 C ASP A 10 -3.739 -1.403 -1.934 1.00 0.00 C ATOM 99 O ASP A 10 -3.863 -1.287 -3.152 1.00 0.00 O ATOM 100 CB ASP A 10 -5.536 -2.287 -0.478 1.00 0.00 C ATOM 101 CG ASP A 10 -6.549 -3.424 -0.337 1.00 0.00 C ATOM 102 OD1 ASP A 10 -6.390 -4.210 0.622 1.00 0.00 O ATOM 103 OD2 ASP A 10 -7.460 -3.483 -1.191 1.00 0.00 O ATOM 0 H ASP A 10 -3.584 -3.412 0.620 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.456 -3.456 -1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.276 -1.927 0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.013 -1.459 -1.002 1.00 0.00 H new ATOM 108 N CYS A 11 -3.177 -0.497 -1.147 1.00 0.00 N ATOM 109 CA CYS A 11 -2.649 0.742 -1.692 1.00 0.00 C ATOM 110 C CYS A 11 -1.390 1.113 -0.906 1.00 0.00 C ATOM 111 O CYS A 11 -1.474 1.531 0.248 1.00 0.00 O ATOM 112 CB CYS A 11 -3.691 1.862 -1.663 1.00 0.00 C ATOM 113 SG CYS A 11 -3.077 3.312 -2.595 1.00 0.00 S ATOM 0 H CYS A 11 -3.076 -0.596 -0.137 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.393 0.601 -2.742 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.627 1.510 -2.097 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.904 2.145 -0.632 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.042 4.170 -2.748 1.00 0.00 H new ATOM 119 N SER A 12 -0.251 0.948 -1.562 1.00 0.00 N ATOM 120 CA SER A 12 1.024 1.260 -0.940 1.00 0.00 C ATOM 121 C SER A 12 1.454 2.681 -1.312 1.00 0.00 C ATOM 122 O SER A 12 1.503 3.030 -2.490 1.00 0.00 O ATOM 123 CB SER A 12 2.101 0.255 -1.353 1.00 0.00 C ATOM 124 OG SER A 12 2.263 -0.781 -0.388 1.00 0.00 O ATOM 0 H SER A 12 -0.185 0.602 -2.519 1.00 0.00 H new ATOM 0 HA SER A 12 0.901 1.195 0.141 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.837 -0.184 -2.315 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.049 0.775 -1.489 1.00 0.00 H new ATOM 0 HG SER A 12 2.958 -1.403 -0.689 1.00 0.00 H new ATOM 130 N VAL A 13 1.754 3.462 -0.284 1.00 0.00 N ATOM 131 CA VAL A 13 2.178 4.837 -0.489 1.00 0.00 C ATOM 132 C VAL A 13 3.691 4.871 -0.711 1.00 0.00 C ATOM 133 O VAL A 13 4.458 4.433 0.144 1.00 0.00 O ATOM 134 CB VAL A 13 1.727 5.704 0.688 1.00 0.00 C ATOM 135 CG1 VAL A 13 2.260 7.132 0.554 1.00 0.00 C ATOM 136 CG2 VAL A 13 0.203 5.698 0.821 1.00 0.00 C ATOM 0 H VAL A 13 1.712 3.169 0.692 1.00 0.00 H new ATOM 0 HA VAL A 13 1.709 5.253 -1.381 1.00 0.00 H new ATOM 0 HB VAL A 13 2.145 5.275 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.925 7.727 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.350 7.113 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.886 7.575 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.091 6.322 1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.244 6.090 -0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.144 4.678 0.986 1.00 0.00 H new ATOM 146 N ILE A 14 4.076 5.397 -1.865 1.00 0.00 N ATOM 147 CA ILE A 14 5.484 5.495 -2.211 1.00 0.00 C ATOM 148 C ILE A 14 5.983 6.907 -1.902 1.00 0.00 C ATOM 149 O ILE A 14 5.561 7.872 -2.537 1.00 0.00 O ATOM 150 CB ILE A 14 5.710 5.067 -3.662 1.00 0.00 C ATOM 151 CG1 ILE A 14 4.723 3.971 -4.071 1.00 0.00 C ATOM 152 CG2 ILE A 14 7.163 4.644 -3.889 1.00 0.00 C ATOM 153 CD1 ILE A 14 5.046 2.652 -3.366 1.00 0.00 C ATOM 0 H ILE A 14 3.437 5.760 -2.572 1.00 0.00 H new ATOM 0 HA ILE A 14 6.074 4.808 -1.605 1.00 0.00 H new ATOM 0 HB ILE A 14 5.521 5.927 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.707 4.280 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.759 3.829 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.297 4.344 -4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.825 5.480 -3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.404 3.805 -3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.330 1.890 -3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.053 2.333 -3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.985 2.792 -2.287 1.00 0.00 H new ATOM 165 N VAL A 15 6.876 6.984 -0.925 1.00 0.00 N ATOM 166 CA VAL A 15 7.438 8.263 -0.524 1.00 0.00 C ATOM 167 C VAL A 15 8.964 8.161 -0.507 1.00 0.00 C ATOM 168 O VAL A 15 9.549 7.713 0.478 1.00 0.00 O ATOM 169 CB VAL A 15 6.852 8.692 0.823 1.00 0.00 C ATOM 170 CG1 VAL A 15 6.544 7.476 1.699 1.00 0.00 C ATOM 171 CG2 VAL A 15 7.788 9.665 1.543 1.00 0.00 C ATOM 0 H VAL A 15 7.224 6.182 -0.400 1.00 0.00 H new ATOM 0 HA VAL A 15 7.172 9.040 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 15 5.913 9.212 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.129 7.809 2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.822 6.836 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.462 6.916 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.348 9.954 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.750 9.183 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.934 10.552 0.927 1.00 0.00 H new ATOM 181 N VAL A 16 9.566 8.585 -1.609 1.00 0.00 N ATOM 182 CA VAL A 16 11.013 8.547 -1.733 1.00 0.00 C ATOM 183 C VAL A 16 11.633 9.516 -0.723 1.00 0.00 C ATOM 184 O VAL A 16 12.606 9.179 -0.050 1.00 0.00 O ATOM 185 CB VAL A 16 11.423 8.845 -3.176 1.00 0.00 C ATOM 186 CG1 VAL A 16 10.596 8.018 -4.163 1.00 0.00 C ATOM 187 CG2 VAL A 16 11.306 10.340 -3.482 1.00 0.00 C ATOM 0 H VAL A 16 9.078 8.957 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 16 11.390 7.551 -1.502 1.00 0.00 H new ATOM 0 HB VAL A 16 12.468 8.560 -3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.908 8.249 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.751 6.957 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.540 8.258 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 16 11.603 10.524 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.274 10.661 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 16 11.957 10.901 -2.811 1.00 0.00 H new ATOM 197 N ASN A 17 11.043 10.700 -0.650 1.00 0.00 N ATOM 198 CA ASN A 17 11.525 11.720 0.266 1.00 0.00 C ATOM 199 C ASN A 17 11.076 11.376 1.688 1.00 0.00 C ATOM 200 O ASN A 17 10.277 10.462 1.886 1.00 0.00 O ATOM 201 CB ASN A 17 10.955 13.094 -0.090 1.00 0.00 C ATOM 202 CG ASN A 17 12.041 14.170 -0.037 1.00 0.00 C ATOM 203 OD1 ASN A 17 13.208 13.899 0.198 1.00 0.00 O ATOM 204 ND2 ASN A 17 11.595 15.401 -0.267 1.00 0.00 N ATOM 0 H ASN A 17 10.236 10.976 -1.210 1.00 0.00 H new ATOM 0 HA ASN A 17 12.612 11.751 0.194 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.518 13.063 -1.088 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.152 13.349 0.602 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.243 16.189 -0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.605 15.558 -0.457 1.00 0.00 H new ATOM 211 N LYS A 18 11.610 12.126 2.640 1.00 0.00 N ATOM 212 CA LYS A 18 11.274 11.912 4.038 1.00 0.00 C ATOM 213 C LYS A 18 10.399 13.067 4.530 1.00 0.00 C ATOM 214 O LYS A 18 9.581 12.890 5.431 1.00 0.00 O ATOM 215 CB LYS A 18 12.542 11.704 4.868 1.00 0.00 C ATOM 216 CG LYS A 18 13.030 10.257 4.770 1.00 0.00 C ATOM 217 CD LYS A 18 12.703 9.481 6.048 1.00 0.00 C ATOM 218 CE LYS A 18 13.350 10.137 7.269 1.00 0.00 C ATOM 219 NZ LYS A 18 13.707 9.115 8.278 1.00 0.00 N ATOM 0 H LYS A 18 12.273 12.883 2.472 1.00 0.00 H new ATOM 0 HA LYS A 18 10.691 10.998 4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.324 12.380 4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.344 11.955 5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.563 9.769 3.914 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.106 10.243 4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.622 9.437 6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.055 8.454 5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.243 10.684 6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.664 10.863 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.145 9.577 9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.849 8.611 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.378 8.437 7.863 1.00 0.00 H new ATOM 233 N GLN A 19 10.603 14.224 3.918 1.00 0.00 N ATOM 234 CA GLN A 19 9.843 15.408 4.283 1.00 0.00 C ATOM 235 C GLN A 19 8.345 15.095 4.290 1.00 0.00 C ATOM 236 O GLN A 19 7.621 15.527 5.186 1.00 0.00 O ATOM 237 CB GLN A 19 10.156 16.572 3.341 1.00 0.00 C ATOM 238 CG GLN A 19 10.559 17.821 4.128 1.00 0.00 C ATOM 239 CD GLN A 19 9.332 18.509 4.730 1.00 0.00 C ATOM 240 OE1 GLN A 19 8.588 17.939 5.511 1.00 0.00 O ATOM 241 NE2 GLN A 19 9.162 19.764 4.323 1.00 0.00 N ATOM 0 H GLN A 19 11.283 14.367 3.172 1.00 0.00 H new ATOM 0 HA GLN A 19 10.136 15.709 5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.961 16.289 2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.283 16.791 2.726 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.253 17.546 4.923 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.084 18.515 3.472 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.822 20.181 3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.371 20.309 4.667 1.00 0.00 H new ATOM 250 N THR A 20 7.924 14.348 3.280 1.00 0.00 N ATOM 251 CA THR A 20 6.525 13.973 3.159 1.00 0.00 C ATOM 252 C THR A 20 6.226 12.744 4.020 1.00 0.00 C ATOM 253 O THR A 20 5.627 11.780 3.545 1.00 0.00 O ATOM 254 CB THR A 20 6.219 13.764 1.674 1.00 0.00 C ATOM 255 OG1 THR A 20 7.389 13.129 1.164 1.00 0.00 O ATOM 256 CG2 THR A 20 6.144 15.082 0.901 1.00 0.00 C ATOM 0 H THR A 20 8.527 13.992 2.538 1.00 0.00 H new ATOM 0 HA THR A 20 5.870 14.760 3.533 1.00 0.00 H new ATOM 0 HB THR A 20 5.276 13.228 1.570 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.950 13.792 0.711 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.925 14.877 -0.147 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.355 15.706 1.322 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.098 15.603 0.977 1.00 0.00 H new ATOM 264 N LYS A 21 6.656 12.819 5.271 1.00 0.00 N ATOM 265 CA LYS A 21 6.442 11.724 6.202 1.00 0.00 C ATOM 266 C LYS A 21 5.066 11.877 6.853 1.00 0.00 C ATOM 267 O LYS A 21 4.277 10.933 6.875 1.00 0.00 O ATOM 268 CB LYS A 21 7.592 11.644 7.208 1.00 0.00 C ATOM 269 CG LYS A 21 7.191 10.823 8.435 1.00 0.00 C ATOM 270 CD LYS A 21 8.401 10.104 9.034 1.00 0.00 C ATOM 271 CE LYS A 21 7.993 8.763 9.648 1.00 0.00 C ATOM 272 NZ LYS A 21 8.969 8.348 10.681 1.00 0.00 N ATOM 0 H LYS A 21 7.151 13.621 5.661 1.00 0.00 H new ATOM 0 HA LYS A 21 6.443 10.770 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.464 11.194 6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.880 12.649 7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.745 11.477 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.431 10.093 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.151 9.941 8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.861 10.732 9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.000 8.846 10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.933 8.003 8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.678 7.436 11.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.910 8.250 10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.006 9.066 11.432 1.00 0.00 H new ATOM 286 N ASP A 22 4.819 13.073 7.367 1.00 0.00 N ATOM 287 CA ASP A 22 3.551 13.361 8.017 1.00 0.00 C ATOM 288 C ASP A 22 2.469 13.550 6.952 1.00 0.00 C ATOM 289 O ASP A 22 1.278 13.485 7.254 1.00 0.00 O ATOM 290 CB ASP A 22 3.635 14.647 8.841 1.00 0.00 C ATOM 291 CG ASP A 22 4.888 14.780 9.708 1.00 0.00 C ATOM 292 OD1 ASP A 22 5.324 13.736 10.238 1.00 0.00 O ATOM 293 OD2 ASP A 22 5.382 15.923 9.820 1.00 0.00 O ATOM 0 H ASP A 22 5.475 13.854 7.347 1.00 0.00 H new ATOM 0 HA ASP A 22 3.311 12.526 8.676 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.589 15.499 8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.758 14.705 9.486 1.00 0.00 H new ATOM 298 N TYR A 23 2.922 13.782 5.729 1.00 0.00 N ATOM 299 CA TYR A 23 2.007 13.981 4.618 1.00 0.00 C ATOM 300 C TYR A 23 1.576 12.643 4.015 1.00 0.00 C ATOM 301 O TYR A 23 0.399 12.288 4.059 1.00 0.00 O ATOM 302 CB TYR A 23 2.786 14.773 3.566 1.00 0.00 C ATOM 303 CG TYR A 23 2.087 14.861 2.208 1.00 0.00 C ATOM 304 CD1 TYR A 23 2.309 13.888 1.254 1.00 0.00 C ATOM 305 CD2 TYR A 23 1.235 15.912 1.936 1.00 0.00 C ATOM 306 CE1 TYR A 23 1.651 13.970 -0.024 1.00 0.00 C ATOM 307 CE2 TYR A 23 0.578 15.994 0.658 1.00 0.00 C ATOM 308 CZ TYR A 23 0.818 15.019 -0.259 1.00 0.00 C ATOM 309 OH TYR A 23 0.197 15.096 -1.466 1.00 0.00 O ATOM 0 H TYR A 23 3.910 13.837 5.483 1.00 0.00 H new ATOM 0 HA TYR A 23 1.108 14.499 4.951 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.958 15.782 3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.764 14.312 3.430 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.976 13.066 1.466 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.061 16.673 2.682 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.815 13.215 -0.779 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.091 16.812 0.432 1.00 0.00 H new ATOM 0 HH TYR A 23 0.053 14.193 -1.818 1.00 0.00 H new ATOM 319 N ALA A 24 2.553 11.936 3.465 1.00 0.00 N ATOM 320 CA ALA A 24 2.290 10.644 2.854 1.00 0.00 C ATOM 321 C ALA A 24 1.525 9.763 3.844 1.00 0.00 C ATOM 322 O ALA A 24 0.690 8.954 3.444 1.00 0.00 O ATOM 323 CB ALA A 24 3.610 10.011 2.410 1.00 0.00 C ATOM 0 H ALA A 24 3.528 12.234 3.430 1.00 0.00 H new ATOM 0 HA ALA A 24 1.668 10.759 1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.413 9.042 1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.100 10.662 1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.259 9.878 3.276 1.00 0.00 H new ATOM 329 N GLU A 25 1.838 9.950 5.118 1.00 0.00 N ATOM 330 CA GLU A 25 1.191 9.182 6.168 1.00 0.00 C ATOM 331 C GLU A 25 -0.309 9.483 6.198 1.00 0.00 C ATOM 332 O GLU A 25 -1.074 8.779 6.856 1.00 0.00 O ATOM 333 CB GLU A 25 1.834 9.462 7.528 1.00 0.00 C ATOM 334 CG GLU A 25 2.939 8.448 7.831 1.00 0.00 C ATOM 335 CD GLU A 25 3.128 8.279 9.340 1.00 0.00 C ATOM 336 OE1 GLU A 25 2.339 7.508 9.928 1.00 0.00 O ATOM 337 OE2 GLU A 25 4.058 8.924 9.872 1.00 0.00 O ATOM 0 H GLU A 25 2.531 10.622 5.447 1.00 0.00 H new ATOM 0 HA GLU A 25 1.325 8.122 5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.248 10.470 7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.074 9.422 8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.689 7.487 7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.874 8.777 7.378 1.00 0.00 H new ATOM 344 N SER A 26 -0.685 10.529 5.477 1.00 0.00 N ATOM 345 CA SER A 26 -2.079 10.932 5.413 1.00 0.00 C ATOM 346 C SER A 26 -2.781 10.206 4.264 1.00 0.00 C ATOM 347 O SER A 26 -3.634 9.350 4.494 1.00 0.00 O ATOM 348 CB SER A 26 -2.208 12.447 5.241 1.00 0.00 C ATOM 349 OG SER A 26 -3.564 12.879 5.315 1.00 0.00 O ATOM 0 H SER A 26 -0.048 11.110 4.932 1.00 0.00 H new ATOM 0 HA SER A 26 -2.557 10.659 6.354 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.625 12.950 6.012 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.786 12.740 4.280 1.00 0.00 H new ATOM 0 HG SER A 26 -3.604 13.852 5.202 1.00 0.00 H new ATOM 355 N VAL A 27 -2.396 10.574 3.051 1.00 0.00 N ATOM 356 CA VAL A 27 -2.978 9.969 1.865 1.00 0.00 C ATOM 357 C VAL A 27 -3.008 8.449 2.036 1.00 0.00 C ATOM 358 O VAL A 27 -3.849 7.770 1.448 1.00 0.00 O ATOM 359 CB VAL A 27 -2.210 10.415 0.619 1.00 0.00 C ATOM 360 CG1 VAL A 27 -1.178 9.364 0.205 1.00 0.00 C ATOM 361 CG2 VAL A 27 -3.168 10.726 -0.533 1.00 0.00 C ATOM 0 H VAL A 27 -1.688 11.284 2.864 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.007 10.302 1.732 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.674 11.331 0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.646 9.706 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.467 9.212 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.684 8.424 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.597 11.041 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.744 9.834 -0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.847 11.526 -0.236 1.00 0.00 H new ATOM 371 N GLY A 28 -2.080 7.958 2.844 1.00 0.00 N ATOM 372 CA GLY A 28 -1.990 6.530 3.100 1.00 0.00 C ATOM 373 C GLY A 28 -3.101 6.072 4.047 1.00 0.00 C ATOM 374 O GLY A 28 -3.644 4.979 3.889 1.00 0.00 O ATOM 0 H GLY A 28 -1.384 8.523 3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.060 5.983 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.018 6.295 3.533 1.00 0.00 H new ATOM 378 N ARG A 29 -3.406 6.929 5.010 1.00 0.00 N ATOM 379 CA ARG A 29 -4.443 6.625 5.981 1.00 0.00 C ATOM 380 C ARG A 29 -5.823 6.940 5.401 1.00 0.00 C ATOM 381 O ARG A 29 -6.815 6.320 5.779 1.00 0.00 O ATOM 382 CB ARG A 29 -4.243 7.428 7.269 1.00 0.00 C ATOM 383 CG ARG A 29 -5.250 8.577 7.360 1.00 0.00 C ATOM 384 CD ARG A 29 -5.138 9.298 8.705 1.00 0.00 C ATOM 385 NE ARG A 29 -5.660 10.678 8.584 1.00 0.00 N ATOM 386 CZ ARG A 29 -4.901 11.748 8.314 1.00 0.00 C ATOM 387 NH1 ARG A 29 -3.580 11.605 8.136 1.00 0.00 N ATOM 388 NH2 ARG A 29 -5.461 12.962 8.223 1.00 0.00 N ATOM 0 H ARG A 29 -2.953 7.834 5.139 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.378 5.562 6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.355 6.772 8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.228 7.825 7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.075 9.284 6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.261 8.190 7.234 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.697 8.754 9.466 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.098 9.321 9.029 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.661 10.823 8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.153 10.681 8.206 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.002 12.420 7.930 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.466 13.072 8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.882 13.776 8.017 1.00 0.00 H new ATOM 402 N LYS A 30 -5.841 7.903 4.491 1.00 0.00 N ATOM 403 CA LYS A 30 -7.083 8.308 3.855 1.00 0.00 C ATOM 404 C LYS A 30 -7.696 7.107 3.132 1.00 0.00 C ATOM 405 O LYS A 30 -8.917 6.964 3.083 1.00 0.00 O ATOM 406 CB LYS A 30 -6.851 9.518 2.948 1.00 0.00 C ATOM 407 CG LYS A 30 -6.316 10.708 3.748 1.00 0.00 C ATOM 408 CD LYS A 30 -7.408 11.757 3.968 1.00 0.00 C ATOM 409 CE LYS A 30 -6.959 12.810 4.983 1.00 0.00 C ATOM 410 NZ LYS A 30 -8.132 13.431 5.638 1.00 0.00 N ATOM 0 H LYS A 30 -5.015 8.414 4.179 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.805 8.633 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.144 9.257 2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.785 9.795 2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.939 10.363 4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.476 11.158 3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.650 12.239 3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.318 11.272 4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.317 12.349 5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.366 13.576 4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.810 14.143 6.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.730 13.887 4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.682 12.699 6.131 1.00 0.00 H new ATOM 424 N VAL A 31 -6.820 6.273 2.590 1.00 0.00 N ATOM 425 CA VAL A 31 -7.260 5.089 1.872 1.00 0.00 C ATOM 426 C VAL A 31 -7.741 4.039 2.876 1.00 0.00 C ATOM 427 O VAL A 31 -8.575 3.196 2.546 1.00 0.00 O ATOM 428 CB VAL A 31 -6.137 4.579 0.966 1.00 0.00 C ATOM 429 CG1 VAL A 31 -6.502 3.228 0.348 1.00 0.00 C ATOM 430 CG2 VAL A 31 -5.798 5.605 -0.117 1.00 0.00 C ATOM 0 H VAL A 31 -5.808 6.394 2.634 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.102 5.327 1.222 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.249 4.436 1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.687 2.888 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.670 2.499 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.410 3.333 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.997 5.218 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.681 5.795 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.474 6.535 0.351 1.00 0.00 H new ATOM 440 N ARG A 32 -7.197 4.125 4.080 1.00 0.00 N ATOM 441 CA ARG A 32 -7.561 3.193 5.134 1.00 0.00 C ATOM 442 C ARG A 32 -8.950 3.526 5.681 1.00 0.00 C ATOM 443 O ARG A 32 -9.682 2.636 6.111 1.00 0.00 O ATOM 444 CB ARG A 32 -6.546 3.232 6.279 1.00 0.00 C ATOM 445 CG ARG A 32 -5.164 2.782 5.802 1.00 0.00 C ATOM 446 CD ARG A 32 -4.214 2.582 6.984 1.00 0.00 C ATOM 447 NE ARG A 32 -3.885 1.147 7.132 1.00 0.00 N ATOM 448 CZ ARG A 32 -3.131 0.647 8.121 1.00 0.00 C ATOM 449 NH1 ARG A 32 -2.623 1.464 9.054 1.00 0.00 N ATOM 450 NH2 ARG A 32 -2.884 -0.669 8.176 1.00 0.00 N ATOM 0 H ARG A 32 -6.507 4.826 4.350 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.567 2.192 4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.484 4.243 6.681 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.883 2.587 7.090 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.254 1.851 5.242 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.751 3.526 5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.302 3.159 6.830 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.675 2.954 7.899 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.255 0.498 6.438 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.810 2.466 9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.049 1.084 9.807 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.270 -1.290 7.465 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.310 -1.049 8.929 1.00 0.00 H new ATOM 464 N ASP A 33 -9.271 4.811 5.648 1.00 0.00 N ATOM 465 CA ASP A 33 -10.559 5.274 6.136 1.00 0.00 C ATOM 466 C ASP A 33 -11.674 4.629 5.309 1.00 0.00 C ATOM 467 O ASP A 33 -12.837 4.645 5.709 1.00 0.00 O ATOM 468 CB ASP A 33 -10.687 6.792 5.999 1.00 0.00 C ATOM 469 CG ASP A 33 -11.996 7.381 6.530 1.00 0.00 C ATOM 470 OD1 ASP A 33 -12.078 7.561 7.764 1.00 0.00 O ATOM 471 OD2 ASP A 33 -12.884 7.639 5.689 1.00 0.00 O ATOM 0 H ASP A 33 -8.661 5.546 5.291 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.640 4.999 7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.855 7.261 6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.588 7.056 4.946 1.00 0.00 H new ATOM 476 N LEU A 34 -11.279 4.077 4.171 1.00 0.00 N ATOM 477 CA LEU A 34 -12.230 3.428 3.285 1.00 0.00 C ATOM 478 C LEU A 34 -12.265 1.929 3.591 1.00 0.00 C ATOM 479 O LEU A 34 -13.148 1.216 3.117 1.00 0.00 O ATOM 480 CB LEU A 34 -11.907 3.750 1.825 1.00 0.00 C ATOM 481 CG LEU A 34 -11.322 5.138 1.557 1.00 0.00 C ATOM 482 CD1 LEU A 34 -10.420 5.125 0.322 1.00 0.00 C ATOM 483 CD2 LEU A 34 -12.430 6.188 1.446 1.00 0.00 C ATOM 0 H LEU A 34 -10.313 4.066 3.842 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.235 3.812 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.203 3.004 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.820 3.643 1.240 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.699 5.415 2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.018 6.124 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.599 4.425 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.999 4.817 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.987 7.166 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.098 5.926 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.995 6.221 2.378 1.00 0.00 H new ATOM 495 N GLY A 35 -11.294 1.496 4.381 1.00 0.00 N ATOM 496 CA GLY A 35 -11.202 0.095 4.755 1.00 0.00 C ATOM 497 C GLY A 35 -10.220 -0.652 3.851 1.00 0.00 C ATOM 498 O GLY A 35 -10.383 -1.846 3.604 1.00 0.00 O ATOM 0 H GLY A 35 -10.564 2.091 4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.880 0.013 5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.187 -0.368 4.689 1.00 0.00 H new ATOM 502 N MET A 36 -9.222 0.083 3.381 1.00 0.00 N ATOM 503 CA MET A 36 -8.214 -0.495 2.509 1.00 0.00 C ATOM 504 C MET A 36 -6.841 -0.497 3.184 1.00 0.00 C ATOM 505 O MET A 36 -6.448 0.491 3.802 1.00 0.00 O ATOM 506 CB MET A 36 -8.142 0.308 1.209 1.00 0.00 C ATOM 507 CG MET A 36 -9.371 0.047 0.335 1.00 0.00 C ATOM 508 SD MET A 36 -9.382 1.169 -1.054 1.00 0.00 S ATOM 509 CE MET A 36 -7.998 0.528 -1.981 1.00 0.00 C ATOM 0 H MET A 36 -9.090 1.073 3.588 1.00 0.00 H new ATOM 0 HA MET A 36 -8.494 -1.526 2.295 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.073 1.372 1.438 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.238 0.040 0.661 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.363 -0.984 -0.020 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.280 0.175 0.923 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.191 0.641 -3.048 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.096 1.079 -1.715 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.861 -0.528 -1.747 1.00 0.00 H new ATOM 519 N VAL A 37 -6.150 -1.619 3.044 1.00 0.00 N ATOM 520 CA VAL A 37 -4.829 -1.762 3.633 1.00 0.00 C ATOM 521 C VAL A 37 -3.860 -0.801 2.942 1.00 0.00 C ATOM 522 O VAL A 37 -3.661 -0.879 1.730 1.00 0.00 O ATOM 523 CB VAL A 37 -4.379 -3.223 3.557 1.00 0.00 C ATOM 524 CG1 VAL A 37 -3.015 -3.411 4.226 1.00 0.00 C ATOM 525 CG2 VAL A 37 -5.425 -4.152 4.175 1.00 0.00 C ATOM 0 H VAL A 37 -6.480 -2.437 2.532 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.851 -1.496 4.690 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.276 -3.488 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.718 -4.458 4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.274 -2.790 3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.081 -3.119 5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.080 -5.184 4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.574 -3.887 5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.367 -4.048 3.637 1.00 0.00 H new ATOM 535 N VAL A 38 -3.282 0.083 3.742 1.00 0.00 N ATOM 536 CA VAL A 38 -2.339 1.058 3.222 1.00 0.00 C ATOM 537 C VAL A 38 -1.058 1.018 4.058 1.00 0.00 C ATOM 538 O VAL A 38 -1.093 0.665 5.236 1.00 0.00 O ATOM 539 CB VAL A 38 -2.986 2.444 3.185 1.00 0.00 C ATOM 540 CG1 VAL A 38 -2.063 3.462 2.511 1.00 0.00 C ATOM 541 CG2 VAL A 38 -4.348 2.395 2.490 1.00 0.00 C ATOM 0 H VAL A 38 -3.449 0.144 4.746 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.065 0.815 2.195 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.146 2.766 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.547 4.439 2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.127 3.528 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.857 3.145 1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.786 3.393 2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.222 2.041 1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.008 1.716 3.030 1.00 0.00 H new ATOM 551 N ASP A 39 0.041 1.386 3.417 1.00 0.00 N ATOM 552 CA ASP A 39 1.330 1.397 4.087 1.00 0.00 C ATOM 553 C ASP A 39 2.180 2.541 3.531 1.00 0.00 C ATOM 554 O ASP A 39 1.840 3.130 2.505 1.00 0.00 O ATOM 555 CB ASP A 39 2.086 0.088 3.850 1.00 0.00 C ATOM 556 CG ASP A 39 3.524 0.068 4.370 1.00 0.00 C ATOM 557 OD1 ASP A 39 3.679 0.006 5.609 1.00 0.00 O ATOM 558 OD2 ASP A 39 4.437 0.115 3.517 1.00 0.00 O ATOM 0 H ASP A 39 0.066 1.679 2.440 1.00 0.00 H new ATOM 0 HA ASP A 39 1.153 1.523 5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.533 -0.724 4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.100 -0.117 2.780 1.00 0.00 H new ATOM 563 N LEU A 40 3.269 2.822 4.231 1.00 0.00 N ATOM 564 CA LEU A 40 4.170 3.885 3.820 1.00 0.00 C ATOM 565 C LEU A 40 5.539 3.287 3.486 1.00 0.00 C ATOM 566 O LEU A 40 6.103 2.538 4.282 1.00 0.00 O ATOM 567 CB LEU A 40 4.222 4.985 4.882 1.00 0.00 C ATOM 568 CG LEU A 40 3.542 6.305 4.514 1.00 0.00 C ATOM 569 CD1 LEU A 40 2.020 6.178 4.588 1.00 0.00 C ATOM 570 CD2 LEU A 40 4.065 7.451 5.383 1.00 0.00 C ATOM 0 H LEU A 40 3.548 2.332 5.081 1.00 0.00 H new ATOM 0 HA LEU A 40 3.802 4.367 2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.762 4.604 5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.267 5.190 5.114 1.00 0.00 H new ATOM 0 HG LEU A 40 3.794 6.543 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.562 7.131 4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.685 5.408 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.727 5.905 5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.566 8.378 5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.863 7.234 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.140 7.558 5.236 1.00 0.00 H new ATOM 582 N ILE A 41 6.032 3.641 2.308 1.00 0.00 N ATOM 583 CA ILE A 41 7.324 3.149 1.860 1.00 0.00 C ATOM 584 C ILE A 41 8.309 4.316 1.777 1.00 0.00 C ATOM 585 O ILE A 41 8.263 5.106 0.835 1.00 0.00 O ATOM 586 CB ILE A 41 7.176 2.374 0.549 1.00 0.00 C ATOM 587 CG1 ILE A 41 6.693 0.946 0.807 1.00 0.00 C ATOM 588 CG2 ILE A 41 8.478 2.403 -0.255 1.00 0.00 C ATOM 589 CD1 ILE A 41 6.610 0.151 -0.498 1.00 0.00 C ATOM 0 H ILE A 41 5.560 4.262 1.651 1.00 0.00 H new ATOM 0 HA ILE A 41 7.732 2.439 2.579 1.00 0.00 H new ATOM 0 HB ILE A 41 6.414 2.867 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.373 0.448 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.714 0.970 1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.346 1.845 -1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.739 3.435 -0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.277 1.949 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.264 -0.861 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.911 0.639 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.596 0.108 -0.961 1.00 0.00 H new ATOM 601 N PHE A 42 9.176 4.389 2.776 1.00 0.00 N ATOM 602 CA PHE A 42 10.171 5.447 2.828 1.00 0.00 C ATOM 603 C PHE A 42 11.485 4.996 2.189 1.00 0.00 C ATOM 604 O PHE A 42 12.146 4.089 2.694 1.00 0.00 O ATOM 605 CB PHE A 42 10.416 5.759 4.305 1.00 0.00 C ATOM 606 CG PHE A 42 9.330 6.625 4.947 1.00 0.00 C ATOM 607 CD1 PHE A 42 9.355 7.975 4.786 1.00 0.00 C ATOM 608 CD2 PHE A 42 8.341 6.045 5.678 1.00 0.00 C ATOM 609 CE1 PHE A 42 8.347 8.780 5.382 1.00 0.00 C ATOM 610 CE2 PHE A 42 7.334 6.850 6.274 1.00 0.00 C ATOM 611 CZ PHE A 42 7.358 8.200 6.113 1.00 0.00 C ATOM 0 H PHE A 42 9.210 3.733 3.556 1.00 0.00 H new ATOM 0 HA PHE A 42 9.814 6.320 2.282 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.492 4.822 4.856 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.376 6.265 4.404 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.141 8.435 4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.321 4.973 5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.366 9.852 5.254 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.549 6.390 6.855 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.592 8.812 6.566 1.00 0.00 H new ATOM 621 N LEU A 43 11.826 5.649 1.087 1.00 0.00 N ATOM 622 CA LEU A 43 13.050 5.325 0.374 1.00 0.00 C ATOM 623 C LEU A 43 14.076 6.438 0.600 1.00 0.00 C ATOM 624 O LEU A 43 14.485 7.111 -0.345 1.00 0.00 O ATOM 625 CB LEU A 43 12.754 5.052 -1.102 1.00 0.00 C ATOM 626 CG LEU A 43 11.464 4.284 -1.396 1.00 0.00 C ATOM 627 CD1 LEU A 43 10.698 4.923 -2.557 1.00 0.00 C ATOM 628 CD2 LEU A 43 11.752 2.803 -1.646 1.00 0.00 C ATOM 0 H LEU A 43 11.276 6.401 0.671 1.00 0.00 H new ATOM 0 HA LEU A 43 13.486 4.405 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.713 6.007 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.590 4.493 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 43 10.824 4.343 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.785 4.358 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.442 5.951 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.321 4.915 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.818 2.280 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.421 2.702 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.223 2.370 -0.763 1.00 0.00 H new ATOM 640 N ASN A 44 14.461 6.598 1.857 1.00 0.00 N ATOM 641 CA ASN A 44 15.431 7.617 2.219 1.00 0.00 C ATOM 642 C ASN A 44 16.820 7.185 1.745 1.00 0.00 C ATOM 643 O ASN A 44 17.497 6.410 2.419 1.00 0.00 O ATOM 644 CB ASN A 44 15.488 7.810 3.736 1.00 0.00 C ATOM 645 CG ASN A 44 15.777 6.486 4.446 1.00 0.00 C ATOM 646 OD1 ASN A 44 15.032 5.525 4.350 1.00 0.00 O ATOM 647 ND2 ASN A 44 16.897 6.490 5.163 1.00 0.00 N ATOM 0 H ASN A 44 14.119 6.039 2.638 1.00 0.00 H new ATOM 0 HA ASN A 44 15.129 8.552 1.748 1.00 0.00 H new ATOM 0 HB2 ASN A 44 16.261 8.537 3.985 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.541 8.218 4.090 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.178 5.654 5.675 1.00 0.00 H new ATOM 0 HD22 ASN A 44 17.476 7.329 5.201 1.00 0.00 H new ATOM 654 N THR A 45 17.204 7.705 0.588 1.00 0.00 N ATOM 655 CA THR A 45 18.500 7.383 0.016 1.00 0.00 C ATOM 656 C THR A 45 18.655 5.868 -0.132 1.00 0.00 C ATOM 657 O THR A 45 19.757 5.338 0.001 1.00 0.00 O ATOM 658 CB THR A 45 19.577 8.021 0.896 1.00 0.00 C ATOM 659 OG1 THR A 45 19.341 9.421 0.773 1.00 0.00 O ATOM 660 CG2 THR A 45 20.985 7.830 0.329 1.00 0.00 C ATOM 0 H THR A 45 16.640 8.347 0.031 1.00 0.00 H new ATOM 0 HA THR A 45 18.600 7.789 -0.991 1.00 0.00 H new ATOM 0 HB THR A 45 19.528 7.593 1.897 1.00 0.00 H new ATOM 0 HG1 THR A 45 19.995 9.912 1.314 1.00 0.00 H new ATOM 0 HG21 THR A 45 21.711 8.301 0.991 1.00 0.00 H new ATOM 0 HG22 THR A 45 21.204 6.765 0.250 1.00 0.00 H new ATOM 0 HG23 THR A 45 21.045 8.287 -0.659 1.00 0.00 H new ATOM 668 N GLU A 46 17.536 5.215 -0.406 1.00 0.00 N ATOM 669 CA GLU A 46 17.534 3.771 -0.574 1.00 0.00 C ATOM 670 C GLU A 46 17.815 3.407 -2.033 1.00 0.00 C ATOM 671 O GLU A 46 18.970 3.269 -2.431 1.00 0.00 O ATOM 672 CB GLU A 46 16.210 3.166 -0.103 1.00 0.00 C ATOM 673 CG GLU A 46 16.319 2.663 1.338 1.00 0.00 C ATOM 674 CD GLU A 46 14.944 2.612 2.007 1.00 0.00 C ATOM 675 OE1 GLU A 46 14.126 1.779 1.559 1.00 0.00 O ATOM 676 OE2 GLU A 46 14.742 3.406 2.950 1.00 0.00 O ATOM 0 H GLU A 46 16.624 5.659 -0.516 1.00 0.00 H new ATOM 0 HA GLU A 46 18.327 3.351 0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.420 3.913 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.929 2.342 -0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.769 1.670 1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.980 3.318 1.906 1.00 0.00 H new ATOM 683 N VAL A 47 16.738 3.260 -2.791 1.00 0.00 N ATOM 684 CA VAL A 47 16.854 2.913 -4.197 1.00 0.00 C ATOM 685 C VAL A 47 16.049 3.912 -5.032 1.00 0.00 C ATOM 686 O VAL A 47 15.989 5.095 -4.703 1.00 0.00 O ATOM 687 CB VAL A 47 16.419 1.463 -4.417 1.00 0.00 C ATOM 688 CG1 VAL A 47 17.157 0.843 -5.606 1.00 0.00 C ATOM 689 CG2 VAL A 47 16.625 0.631 -3.150 1.00 0.00 C ATOM 0 H VAL A 47 15.781 3.375 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 47 17.892 2.979 -4.522 1.00 0.00 H new ATOM 0 HB VAL A 47 15.354 1.464 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 47 16.829 -0.188 -5.740 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.938 1.414 -6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 47 18.230 0.861 -5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.308 -0.396 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 47 17.680 0.642 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 47 16.034 1.053 -2.337 1.00 0.00 H new ATOM 699 N SER A 48 15.450 3.397 -6.096 1.00 0.00 N ATOM 700 CA SER A 48 14.651 4.229 -6.980 1.00 0.00 C ATOM 701 C SER A 48 13.166 3.902 -6.806 1.00 0.00 C ATOM 702 O SER A 48 12.815 2.812 -6.357 1.00 0.00 O ATOM 703 CB SER A 48 15.068 4.040 -8.440 1.00 0.00 C ATOM 704 OG SER A 48 16.478 4.154 -8.611 1.00 0.00 O ATOM 0 H SER A 48 15.502 2.415 -6.366 1.00 0.00 H new ATOM 0 HA SER A 48 14.821 5.272 -6.714 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.739 3.061 -8.787 1.00 0.00 H new ATOM 0 HB3 SER A 48 14.566 4.783 -9.060 1.00 0.00 H new ATOM 0 HG SER A 48 16.704 4.026 -9.556 1.00 0.00 H new ATOM 710 N LEU A 49 12.334 4.867 -7.171 1.00 0.00 N ATOM 711 CA LEU A 49 10.896 4.695 -7.060 1.00 0.00 C ATOM 712 C LEU A 49 10.497 3.354 -7.680 1.00 0.00 C ATOM 713 O LEU A 49 9.920 2.502 -7.006 1.00 0.00 O ATOM 714 CB LEU A 49 10.165 5.894 -7.668 1.00 0.00 C ATOM 715 CG LEU A 49 8.874 6.320 -6.965 1.00 0.00 C ATOM 716 CD1 LEU A 49 8.208 7.484 -7.700 1.00 0.00 C ATOM 717 CD2 LEU A 49 7.925 5.131 -6.795 1.00 0.00 C ATOM 0 H LEU A 49 12.629 5.770 -7.544 1.00 0.00 H new ATOM 0 HA LEU A 49 10.596 4.664 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.848 6.744 -7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.930 5.662 -8.707 1.00 0.00 H new ATOM 0 HG LEU A 49 9.129 6.674 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.293 7.767 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.889 8.335 -7.726 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.967 7.181 -8.719 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.015 5.460 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.672 4.724 -7.774 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.411 4.360 -6.197 1.00 0.00 H new ATOM 729 N SER A 50 10.821 3.209 -8.956 1.00 0.00 N ATOM 730 CA SER A 50 10.504 1.986 -9.674 1.00 0.00 C ATOM 731 C SER A 50 10.734 0.774 -8.770 1.00 0.00 C ATOM 732 O SER A 50 9.832 -0.039 -8.574 1.00 0.00 O ATOM 733 CB SER A 50 11.340 1.863 -10.949 1.00 0.00 C ATOM 734 OG SER A 50 12.733 1.754 -10.666 1.00 0.00 O ATOM 0 H SER A 50 11.300 3.918 -9.511 1.00 0.00 H new ATOM 0 HA SER A 50 9.454 2.022 -9.963 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.015 0.988 -11.513 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.166 2.733 -11.582 1.00 0.00 H new ATOM 0 HG SER A 50 13.232 1.676 -11.506 1.00 0.00 H new ATOM 740 N GLN A 51 11.947 0.690 -8.242 1.00 0.00 N ATOM 741 CA GLN A 51 12.307 -0.409 -7.363 1.00 0.00 C ATOM 742 C GLN A 51 11.139 -0.751 -6.436 1.00 0.00 C ATOM 743 O GLN A 51 10.851 -1.924 -6.201 1.00 0.00 O ATOM 744 CB GLN A 51 13.566 -0.079 -6.560 1.00 0.00 C ATOM 745 CG GLN A 51 14.535 -1.263 -6.547 1.00 0.00 C ATOM 746 CD GLN A 51 13.874 -2.506 -5.947 1.00 0.00 C ATOM 747 OE1 GLN A 51 13.415 -3.395 -6.645 1.00 0.00 O ATOM 748 NE2 GLN A 51 13.850 -2.517 -4.617 1.00 0.00 N ATOM 0 H GLN A 51 12.693 1.366 -8.407 1.00 0.00 H new ATOM 0 HA GLN A 51 12.526 -1.283 -7.977 1.00 0.00 H new ATOM 0 HB2 GLN A 51 14.058 0.793 -6.991 1.00 0.00 H new ATOM 0 HB3 GLN A 51 13.292 0.182 -5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 51 14.866 -1.478 -7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 51 15.423 -1.005 -5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 51 14.252 -1.740 -4.093 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.429 -3.303 -4.121 1.00 0.00 H new ATOM 757 N ALA A 52 10.498 0.294 -5.934 1.00 0.00 N ATOM 758 CA ALA A 52 9.368 0.118 -5.037 1.00 0.00 C ATOM 759 C ALA A 52 8.135 -0.281 -5.850 1.00 0.00 C ATOM 760 O ALA A 52 7.385 -1.171 -5.450 1.00 0.00 O ATOM 761 CB ALA A 52 9.147 1.403 -4.236 1.00 0.00 C ATOM 0 H ALA A 52 10.739 1.265 -6.131 1.00 0.00 H new ATOM 0 HA ALA A 52 9.565 -0.682 -4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.300 1.271 -3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.041 1.627 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.943 2.227 -4.919 1.00 0.00 H new ATOM 767 N LEU A 53 7.963 0.395 -6.976 1.00 0.00 N ATOM 768 CA LEU A 53 6.833 0.122 -7.848 1.00 0.00 C ATOM 769 C LEU A 53 6.877 -1.343 -8.288 1.00 0.00 C ATOM 770 O LEU A 53 5.839 -1.945 -8.558 1.00 0.00 O ATOM 771 CB LEU A 53 6.804 1.113 -9.013 1.00 0.00 C ATOM 772 CG LEU A 53 6.727 2.593 -8.632 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.541 3.470 -9.872 1.00 0.00 C ATOM 774 CD2 LEU A 53 5.634 2.836 -7.589 1.00 0.00 C ATOM 0 H LEU A 53 8.587 1.132 -7.305 1.00 0.00 H new ATOM 0 HA LEU A 53 5.895 0.267 -7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.698 0.960 -9.617 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.948 0.876 -9.645 1.00 0.00 H new ATOM 0 HG LEU A 53 7.675 2.877 -8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.489 4.517 -9.573 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.384 3.327 -10.548 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.617 3.192 -10.379 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.601 3.896 -7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.670 2.530 -7.994 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.851 2.256 -6.692 1.00 0.00 H new ATOM 786 N GLU A 54 8.090 -1.873 -8.347 1.00 0.00 N ATOM 787 CA GLU A 54 8.283 -3.256 -8.750 1.00 0.00 C ATOM 788 C GLU A 54 7.779 -4.202 -7.658 1.00 0.00 C ATOM 789 O GLU A 54 7.047 -5.149 -7.942 1.00 0.00 O ATOM 790 CB GLU A 54 9.752 -3.531 -9.079 1.00 0.00 C ATOM 791 CG GLU A 54 10.035 -5.035 -9.107 1.00 0.00 C ATOM 792 CD GLU A 54 11.241 -5.349 -9.995 1.00 0.00 C ATOM 793 OE1 GLU A 54 12.243 -4.612 -9.873 1.00 0.00 O ATOM 794 OE2 GLU A 54 11.133 -6.319 -10.776 1.00 0.00 O ATOM 0 H GLU A 54 8.949 -1.370 -8.123 1.00 0.00 H new ATOM 0 HA GLU A 54 7.702 -3.435 -9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.000 -3.092 -10.046 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.391 -3.051 -8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.221 -5.393 -8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.158 -5.567 -9.477 1.00 0.00 H new ATOM 801 N ASP A 55 8.191 -3.913 -6.433 1.00 0.00 N ATOM 802 CA ASP A 55 7.791 -4.726 -5.297 1.00 0.00 C ATOM 803 C ASP A 55 6.289 -4.556 -5.058 1.00 0.00 C ATOM 804 O ASP A 55 5.649 -5.423 -4.465 1.00 0.00 O ATOM 805 CB ASP A 55 8.524 -4.296 -4.025 1.00 0.00 C ATOM 806 CG ASP A 55 8.618 -5.368 -2.938 1.00 0.00 C ATOM 807 OD1 ASP A 55 7.660 -6.165 -2.843 1.00 0.00 O ATOM 808 OD2 ASP A 55 9.646 -5.367 -2.227 1.00 0.00 O ATOM 0 H ASP A 55 8.798 -3.127 -6.202 1.00 0.00 H new ATOM 0 HA ASP A 55 8.039 -5.764 -5.521 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.533 -3.983 -4.294 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.019 -3.423 -3.611 1.00 0.00 H new ATOM 813 N VAL A 56 5.770 -3.433 -5.532 1.00 0.00 N ATOM 814 CA VAL A 56 4.356 -3.138 -5.377 1.00 0.00 C ATOM 815 C VAL A 56 3.535 -4.194 -6.120 1.00 0.00 C ATOM 816 O VAL A 56 2.684 -4.855 -5.527 1.00 0.00 O ATOM 817 CB VAL A 56 4.064 -1.712 -5.848 1.00 0.00 C ATOM 818 CG1 VAL A 56 2.561 -1.494 -6.036 1.00 0.00 C ATOM 819 CG2 VAL A 56 4.651 -0.684 -4.880 1.00 0.00 C ATOM 0 H VAL A 56 6.304 -2.716 -6.024 1.00 0.00 H new ATOM 0 HA VAL A 56 4.069 -3.183 -4.326 1.00 0.00 H new ATOM 0 HB VAL A 56 4.546 -1.573 -6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.381 -0.473 -6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.182 -2.193 -6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.048 -1.661 -5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.429 0.321 -5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.212 -0.822 -3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.731 -0.817 -4.819 1.00 0.00 H new ATOM 829 N SER A 57 3.819 -4.319 -7.408 1.00 0.00 N ATOM 830 CA SER A 57 3.118 -5.283 -8.239 1.00 0.00 C ATOM 831 C SER A 57 3.405 -6.704 -7.748 1.00 0.00 C ATOM 832 O SER A 57 2.490 -7.427 -7.359 1.00 0.00 O ATOM 833 CB SER A 57 3.518 -5.138 -9.708 1.00 0.00 C ATOM 834 OG SER A 57 3.838 -6.394 -10.301 1.00 0.00 O ATOM 0 H SER A 57 4.525 -3.769 -7.897 1.00 0.00 H new ATOM 0 HA SER A 57 2.048 -5.088 -8.161 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.702 -4.673 -10.262 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.377 -4.471 -9.786 1.00 0.00 H new ATOM 0 HG SER A 57 4.087 -6.259 -11.239 1.00 0.00 H new ATOM 840 N ARG A 58 4.680 -7.061 -7.784 1.00 0.00 N ATOM 841 CA ARG A 58 5.100 -8.382 -7.348 1.00 0.00 C ATOM 842 C ARG A 58 4.559 -8.676 -5.947 1.00 0.00 C ATOM 843 O ARG A 58 4.105 -9.786 -5.673 1.00 0.00 O ATOM 844 CB ARG A 58 6.625 -8.499 -7.332 1.00 0.00 C ATOM 845 CG ARG A 58 7.131 -8.896 -5.944 1.00 0.00 C ATOM 846 CD ARG A 58 8.648 -9.096 -5.949 1.00 0.00 C ATOM 847 NE ARG A 58 9.007 -10.220 -6.843 1.00 0.00 N ATOM 848 CZ ARG A 58 10.207 -10.815 -6.856 1.00 0.00 C ATOM 849 NH1 ARG A 58 11.171 -10.397 -6.024 1.00 0.00 N ATOM 850 NH2 ARG A 58 10.444 -11.828 -7.701 1.00 0.00 N ATOM 0 H ARG A 58 5.436 -6.458 -8.108 1.00 0.00 H new ATOM 0 HA ARG A 58 4.699 -9.107 -8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.944 -9.240 -8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.069 -7.548 -7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.865 -8.124 -5.222 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.641 -9.815 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.142 -8.183 -6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.000 -9.298 -4.937 1.00 0.00 H new ATOM 0 HE ARG A 58 8.296 -10.563 -7.489 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.991 -9.626 -5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.085 -10.850 -6.034 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.710 -12.146 -8.334 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.358 -12.281 -7.711 1.00 0.00 H new ATOM 864 N GLY A 59 4.624 -7.661 -5.098 1.00 0.00 N ATOM 865 CA GLY A 59 4.147 -7.796 -3.732 1.00 0.00 C ATOM 866 C GLY A 59 2.637 -8.043 -3.701 1.00 0.00 C ATOM 867 O GLY A 59 2.122 -8.647 -2.762 1.00 0.00 O ATOM 0 H GLY A 59 5.000 -6.741 -5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.664 -8.621 -3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.383 -6.893 -3.169 1.00 0.00 H new ATOM 871 N GLY A 60 1.970 -7.562 -4.740 1.00 0.00 N ATOM 872 CA GLY A 60 0.529 -7.723 -4.844 1.00 0.00 C ATOM 873 C GLY A 60 -0.171 -6.363 -4.903 1.00 0.00 C ATOM 874 O GLY A 60 -1.199 -6.219 -5.562 1.00 0.00 O ATOM 0 H GLY A 60 2.400 -7.061 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.287 -8.300 -5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.160 -8.289 -3.989 1.00 0.00 H new ATOM 878 N SER A 61 0.414 -5.402 -4.204 1.00 0.00 N ATOM 879 CA SER A 61 -0.141 -4.059 -4.168 1.00 0.00 C ATOM 880 C SER A 61 -0.675 -3.677 -5.549 1.00 0.00 C ATOM 881 O SER A 61 0.100 -3.421 -6.469 1.00 0.00 O ATOM 882 CB SER A 61 0.905 -3.043 -3.703 1.00 0.00 C ATOM 883 OG SER A 61 0.848 -2.825 -2.296 1.00 0.00 O ATOM 0 H SER A 61 1.267 -5.526 -3.658 1.00 0.00 H new ATOM 0 HA SER A 61 -0.963 -4.047 -3.452 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.900 -3.396 -3.975 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.749 -2.098 -4.223 1.00 0.00 H new ATOM 0 HG SER A 61 -0.033 -2.469 -2.056 1.00 0.00 H new ATOM 889 N PRO A 62 -2.031 -3.649 -5.654 1.00 0.00 N ATOM 890 CA PRO A 62 -2.678 -3.302 -6.908 1.00 0.00 C ATOM 891 C PRO A 62 -2.592 -1.797 -7.171 1.00 0.00 C ATOM 892 O PRO A 62 -2.469 -1.370 -8.318 1.00 0.00 O ATOM 893 CB PRO A 62 -4.107 -3.800 -6.764 1.00 0.00 C ATOM 894 CG PRO A 62 -4.335 -3.987 -5.273 1.00 0.00 C ATOM 895 CD PRO A 62 -2.980 -3.946 -4.585 1.00 0.00 C ATOM 0 HA PRO A 62 -2.196 -3.760 -7.772 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.814 -3.083 -7.180 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.250 -4.737 -7.302 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.984 -3.202 -4.885 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.833 -4.937 -5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.953 -3.182 -3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.751 -4.897 -4.105 1.00 0.00 H new ATOM 903 N PHE A 63 -2.661 -1.035 -6.089 1.00 0.00 N ATOM 904 CA PHE A 63 -2.593 0.413 -6.188 1.00 0.00 C ATOM 905 C PHE A 63 -1.340 0.952 -5.494 1.00 0.00 C ATOM 906 O PHE A 63 -0.985 0.498 -4.407 1.00 0.00 O ATOM 907 CB PHE A 63 -3.832 0.968 -5.483 1.00 0.00 C ATOM 908 CG PHE A 63 -5.155 0.467 -6.063 1.00 0.00 C ATOM 909 CD1 PHE A 63 -5.186 -0.093 -7.302 1.00 0.00 C ATOM 910 CD2 PHE A 63 -6.302 0.581 -5.340 1.00 0.00 C ATOM 911 CE1 PHE A 63 -6.414 -0.559 -7.841 1.00 0.00 C ATOM 912 CE2 PHE A 63 -7.530 0.115 -5.879 1.00 0.00 C ATOM 913 CZ PHE A 63 -7.561 -0.445 -7.118 1.00 0.00 C ATOM 0 H PHE A 63 -2.763 -1.393 -5.139 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.553 0.713 -7.235 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.786 0.702 -4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.812 2.056 -5.538 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.276 -0.183 -7.876 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.278 1.026 -4.356 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.438 -1.004 -8.825 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.440 0.205 -5.305 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.495 -0.799 -7.528 1.00 0.00 H new ATOM 923 N ALA A 64 -0.706 1.912 -6.150 1.00 0.00 N ATOM 924 CA ALA A 64 0.499 2.518 -5.609 1.00 0.00 C ATOM 925 C ALA A 64 0.382 4.041 -5.694 1.00 0.00 C ATOM 926 O ALA A 64 0.181 4.592 -6.776 1.00 0.00 O ATOM 927 CB ALA A 64 1.721 1.984 -6.361 1.00 0.00 C ATOM 0 H ALA A 64 -1.004 2.285 -7.051 1.00 0.00 H new ATOM 0 HA ALA A 64 0.622 2.255 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.625 2.438 -5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.775 0.902 -6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.634 2.231 -7.419 1.00 0.00 H new ATOM 933 N ILE A 65 0.512 4.678 -4.540 1.00 0.00 N ATOM 934 CA ILE A 65 0.423 6.126 -4.471 1.00 0.00 C ATOM 935 C ILE A 65 1.831 6.723 -4.526 1.00 0.00 C ATOM 936 O ILE A 65 2.736 6.251 -3.839 1.00 0.00 O ATOM 937 CB ILE A 65 -0.378 6.556 -3.240 1.00 0.00 C ATOM 938 CG1 ILE A 65 -1.882 6.446 -3.500 1.00 0.00 C ATOM 939 CG2 ILE A 65 0.024 7.960 -2.787 1.00 0.00 C ATOM 940 CD1 ILE A 65 -2.670 6.489 -2.189 1.00 0.00 C ATOM 0 H ILE A 65 0.678 4.218 -3.645 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.123 6.515 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.141 5.875 -2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.203 7.261 -4.148 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.096 5.516 -4.027 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.560 8.241 -1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.084 7.971 -2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.165 8.670 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.736 6.409 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.364 5.658 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.472 7.430 -1.676 1.00 0.00 H new ATOM 952 N VAL A 66 1.972 7.751 -5.350 1.00 0.00 N ATOM 953 CA VAL A 66 3.255 8.416 -5.503 1.00 0.00 C ATOM 954 C VAL A 66 3.272 9.685 -4.648 1.00 0.00 C ATOM 955 O VAL A 66 2.328 10.474 -4.682 1.00 0.00 O ATOM 956 CB VAL A 66 3.528 8.690 -6.984 1.00 0.00 C ATOM 957 CG1 VAL A 66 3.513 10.191 -7.276 1.00 0.00 C ATOM 958 CG2 VAL A 66 4.852 8.059 -7.422 1.00 0.00 C ATOM 0 H VAL A 66 1.219 8.140 -5.918 1.00 0.00 H new ATOM 0 HA VAL A 66 4.062 7.775 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 66 2.728 8.229 -7.564 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.710 10.358 -8.335 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.537 10.602 -7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.282 10.685 -6.682 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.023 8.268 -8.478 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.667 8.478 -6.833 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.810 6.981 -7.268 1.00 0.00 H new ATOM 968 N ILE A 67 4.355 9.842 -3.901 1.00 0.00 N ATOM 969 CA ILE A 67 4.507 11.001 -3.038 1.00 0.00 C ATOM 970 C ILE A 67 5.865 11.654 -3.304 1.00 0.00 C ATOM 971 O ILE A 67 6.825 10.974 -3.662 1.00 0.00 O ATOM 972 CB ILE A 67 4.287 10.613 -1.575 1.00 0.00 C ATOM 973 CG1 ILE A 67 3.069 9.698 -1.427 1.00 0.00 C ATOM 974 CG2 ILE A 67 4.181 11.855 -0.688 1.00 0.00 C ATOM 975 CD1 ILE A 67 1.771 10.507 -1.437 1.00 0.00 C ATOM 0 H ILE A 67 5.136 9.186 -3.876 1.00 0.00 H new ATOM 0 HA ILE A 67 3.744 11.746 -3.263 1.00 0.00 H new ATOM 0 HB ILE A 67 5.157 10.049 -1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.055 8.971 -2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.144 9.135 -0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.025 11.551 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.102 12.434 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.341 12.467 -1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.921 9.833 -1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.778 11.216 -0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.688 11.050 -2.379 1.00 0.00 H new ATOM 987 N THR A 68 5.901 12.966 -3.118 1.00 0.00 N ATOM 988 CA THR A 68 7.126 13.718 -3.333 1.00 0.00 C ATOM 989 C THR A 68 6.934 15.178 -2.920 1.00 0.00 C ATOM 990 O THR A 68 5.811 15.681 -2.906 1.00 0.00 O ATOM 991 CB THR A 68 7.533 13.550 -4.798 1.00 0.00 C ATOM 992 OG1 THR A 68 8.902 13.942 -4.825 1.00 0.00 O ATOM 993 CG2 THR A 68 6.839 14.556 -5.718 1.00 0.00 C ATOM 0 H THR A 68 5.102 13.527 -2.821 1.00 0.00 H new ATOM 0 HA THR A 68 7.937 13.340 -2.710 1.00 0.00 H new ATOM 0 HB THR A 68 7.298 12.537 -5.126 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.247 13.862 -5.739 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.163 14.393 -6.746 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.759 14.424 -5.653 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.100 15.569 -5.412 1.00 0.00 H new ATOM 1001 N GLN A 69 8.047 15.819 -2.593 1.00 0.00 N ATOM 1002 CA GLN A 69 8.015 17.212 -2.180 1.00 0.00 C ATOM 1003 C GLN A 69 6.992 17.988 -3.011 1.00 0.00 C ATOM 1004 O GLN A 69 5.992 18.468 -2.481 1.00 0.00 O ATOM 1005 CB GLN A 69 9.403 17.846 -2.286 1.00 0.00 C ATOM 1006 CG GLN A 69 9.804 18.511 -0.967 1.00 0.00 C ATOM 1007 CD GLN A 69 10.499 19.851 -1.218 1.00 0.00 C ATOM 1008 OE1 GLN A 69 10.023 20.698 -1.955 1.00 0.00 O ATOM 1009 NE2 GLN A 69 11.648 19.994 -0.565 1.00 0.00 N ATOM 0 H GLN A 69 8.977 15.399 -2.606 1.00 0.00 H new ATOM 0 HA GLN A 69 7.711 17.255 -1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.136 17.084 -2.551 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.409 18.585 -3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.919 18.666 -0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.469 17.851 -0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.989 19.244 0.037 1.00 0.00 H new ATOM 0 HE22 GLN A 69 12.188 20.853 -0.666 1.00 0.00 H new ATOM 1018 N GLN A 70 7.278 18.088 -4.301 1.00 0.00 N ATOM 1019 CA GLN A 70 6.396 18.798 -5.211 1.00 0.00 C ATOM 1020 C GLN A 70 4.938 18.424 -4.937 1.00 0.00 C ATOM 1021 O GLN A 70 4.127 19.282 -4.592 1.00 0.00 O ATOM 1022 CB GLN A 70 6.770 18.518 -6.668 1.00 0.00 C ATOM 1023 CG GLN A 70 6.520 19.747 -7.544 1.00 0.00 C ATOM 1024 CD GLN A 70 7.823 20.503 -7.812 1.00 0.00 C ATOM 1025 OE1 GLN A 70 8.894 20.124 -7.366 1.00 0.00 O ATOM 1026 NE2 GLN A 70 7.673 21.591 -8.562 1.00 0.00 N ATOM 0 H GLN A 70 8.109 17.689 -4.738 1.00 0.00 H new ATOM 0 HA GLN A 70 6.514 19.868 -5.040 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.820 18.231 -6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.187 17.676 -7.041 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.073 19.439 -8.489 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.806 20.408 -7.054 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.748 21.852 -8.903 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.483 22.165 -8.796 1.00 0.00 H new ATOM 1035 N HIS A 71 4.649 17.141 -5.101 1.00 0.00 N ATOM 1036 CA HIS A 71 3.303 16.642 -4.875 1.00 0.00 C ATOM 1037 C HIS A 71 2.720 17.289 -3.617 1.00 0.00 C ATOM 1038 O HIS A 71 1.648 17.890 -3.664 1.00 0.00 O ATOM 1039 CB HIS A 71 3.293 15.114 -4.815 1.00 0.00 C ATOM 1040 CG HIS A 71 3.216 14.446 -6.167 1.00 0.00 C ATOM 1041 ND1 HIS A 71 4.039 13.395 -6.533 1.00 0.00 N ATOM 1042 CD2 HIS A 71 2.405 14.690 -7.236 1.00 0.00 C ATOM 1043 CE1 HIS A 71 3.729 13.032 -7.769 1.00 0.00 C ATOM 1044 NE2 HIS A 71 2.717 13.835 -8.203 1.00 0.00 N ATOM 0 H HIS A 71 5.324 16.432 -5.388 1.00 0.00 H new ATOM 0 HA HIS A 71 2.663 16.919 -5.713 1.00 0.00 H new ATOM 0 HB2 HIS A 71 4.194 14.775 -4.305 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.445 14.790 -4.212 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.639 15.450 -7.287 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.196 12.239 -8.334 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.272 13.787 -9.120 1.00 0.00 H new ATOM 1052 N GLN A 72 3.452 17.144 -2.523 1.00 0.00 N ATOM 1053 CA GLN A 72 3.021 17.706 -1.254 1.00 0.00 C ATOM 1054 C GLN A 72 2.385 19.081 -1.472 1.00 0.00 C ATOM 1055 O GLN A 72 1.331 19.376 -0.911 1.00 0.00 O ATOM 1056 CB GLN A 72 4.188 17.792 -0.268 1.00 0.00 C ATOM 1057 CG GLN A 72 3.685 18.041 1.156 1.00 0.00 C ATOM 1058 CD GLN A 72 4.574 19.052 1.883 1.00 0.00 C ATOM 1059 OE1 GLN A 72 5.506 19.610 1.327 1.00 0.00 O ATOM 1060 NE2 GLN A 72 4.236 19.255 3.153 1.00 0.00 N ATOM 0 H GLN A 72 4.341 16.645 -2.489 1.00 0.00 H new ATOM 0 HA GLN A 72 2.271 17.044 -0.821 1.00 0.00 H new ATOM 0 HB2 GLN A 72 4.763 16.867 -0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.862 18.596 -0.565 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.660 18.410 1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.669 17.102 1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.444 18.755 3.556 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.769 19.911 3.724 1.00 0.00 H new ATOM 1069 N ILE A 73 3.052 19.884 -2.287 1.00 0.00 N ATOM 1070 CA ILE A 73 2.565 21.220 -2.586 1.00 0.00 C ATOM 1071 C ILE A 73 1.161 21.124 -3.186 1.00 0.00 C ATOM 1072 O ILE A 73 0.225 21.746 -2.688 1.00 0.00 O ATOM 1073 CB ILE A 73 3.563 21.969 -3.472 1.00 0.00 C ATOM 1074 CG1 ILE A 73 4.939 22.041 -2.807 1.00 0.00 C ATOM 1075 CG2 ILE A 73 3.033 23.354 -3.845 1.00 0.00 C ATOM 1076 CD1 ILE A 73 6.053 22.078 -3.855 1.00 0.00 C ATOM 0 H ILE A 73 3.926 19.635 -2.750 1.00 0.00 H new ATOM 0 HA ILE A 73 2.482 21.808 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 73 3.683 21.410 -4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.997 22.929 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.077 21.179 -2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.761 23.865 -4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.094 23.250 -4.388 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.866 23.936 -2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.021 22.129 -3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.007 21.177 -4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.926 22.954 -4.490 1.00 0.00 H new ATOM 1088 N HIS A 74 1.059 20.339 -4.249 1.00 0.00 N ATOM 1089 CA HIS A 74 -0.215 20.153 -4.922 1.00 0.00 C ATOM 1090 C HIS A 74 -1.111 19.241 -4.083 1.00 0.00 C ATOM 1091 O HIS A 74 -2.261 18.992 -4.443 1.00 0.00 O ATOM 1092 CB HIS A 74 -0.005 19.633 -6.346 1.00 0.00 C ATOM 1093 CG HIS A 74 1.042 20.388 -7.128 1.00 0.00 C ATOM 1094 ND1 HIS A 74 0.740 21.474 -7.931 1.00 0.00 N ATOM 1095 CD2 HIS A 74 2.390 20.204 -7.222 1.00 0.00 C ATOM 1096 CE1 HIS A 74 1.863 21.915 -8.479 1.00 0.00 C ATOM 1097 NE2 HIS A 74 2.884 21.126 -8.038 1.00 0.00 N ATOM 0 H HIS A 74 1.838 19.825 -4.660 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.723 21.112 -5.019 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.279 18.582 -6.299 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.952 19.684 -6.884 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.959 19.437 -6.717 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.954 22.752 -9.156 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.866 21.228 -8.294 1.00 0.00 H new ATOM 1105 N ARG A 75 -0.551 18.766 -2.980 1.00 0.00 N ATOM 1106 CA ARG A 75 -1.285 17.887 -2.087 1.00 0.00 C ATOM 1107 C ARG A 75 -1.944 16.756 -2.878 1.00 0.00 C ATOM 1108 O ARG A 75 -2.923 16.165 -2.426 1.00 0.00 O ATOM 1109 CB ARG A 75 -2.361 18.656 -1.318 1.00 0.00 C ATOM 1110 CG ARG A 75 -1.810 19.198 0.003 1.00 0.00 C ATOM 1111 CD ARG A 75 -1.867 20.727 0.034 1.00 0.00 C ATOM 1112 NE ARG A 75 -2.859 21.175 1.037 1.00 0.00 N ATOM 1113 CZ ARG A 75 -4.172 21.294 0.794 1.00 0.00 C ATOM 1114 NH1 ARG A 75 -4.658 20.999 -0.419 1.00 0.00 N ATOM 1115 NH2 ARG A 75 -4.998 21.709 1.764 1.00 0.00 N ATOM 0 H ARG A 75 0.403 18.974 -2.685 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.573 17.470 -1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.730 19.481 -1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.210 18.001 -1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.385 18.792 0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.780 18.866 0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.884 21.131 0.276 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.135 21.109 -0.951 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.523 21.408 1.971 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.029 20.684 -1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.657 21.089 -0.604 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.628 21.934 2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.997 21.800 1.579 1.00 0.00 H new ATOM 1129 N SER A 76 -1.380 16.488 -4.047 1.00 0.00 N ATOM 1130 CA SER A 76 -1.901 15.438 -4.906 1.00 0.00 C ATOM 1131 C SER A 76 -0.853 14.337 -5.081 1.00 0.00 C ATOM 1132 O SER A 76 0.337 14.569 -4.873 1.00 0.00 O ATOM 1133 CB SER A 76 -2.316 15.997 -6.269 1.00 0.00 C ATOM 1134 OG SER A 76 -1.409 15.617 -7.300 1.00 0.00 O ATOM 0 H SER A 76 -0.568 16.980 -4.419 1.00 0.00 H new ATOM 0 HA SER A 76 -2.787 15.016 -4.431 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.316 15.642 -6.517 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.368 17.084 -6.214 1.00 0.00 H new ATOM 0 HG SER A 76 -1.709 15.992 -8.154 1.00 0.00 H new ATOM 1140 N CYS A 77 -1.333 13.162 -5.461 1.00 0.00 N ATOM 1141 CA CYS A 77 -0.453 12.025 -5.666 1.00 0.00 C ATOM 1142 C CYS A 77 -0.826 11.362 -6.994 1.00 0.00 C ATOM 1143 O CYS A 77 -1.793 11.760 -7.641 1.00 0.00 O ATOM 1144 CB CYS A 77 -0.520 11.040 -4.497 1.00 0.00 C ATOM 1145 SG CYS A 77 -2.263 10.759 -4.015 1.00 0.00 S ATOM 0 H CYS A 77 -2.321 12.973 -5.632 1.00 0.00 H new ATOM 0 HA CYS A 77 0.582 12.365 -5.709 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.055 10.095 -4.780 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.042 11.431 -3.649 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.312 9.888 -3.052 1.00 0.00 H new ATOM 1151 N THR A 78 -0.038 10.361 -7.360 1.00 0.00 N ATOM 1152 CA THR A 78 -0.274 9.639 -8.599 1.00 0.00 C ATOM 1153 C THR A 78 -0.687 8.196 -8.305 1.00 0.00 C ATOM 1154 O THR A 78 0.112 7.408 -7.800 1.00 0.00 O ATOM 1155 CB THR A 78 0.989 9.747 -9.457 1.00 0.00 C ATOM 1156 OG1 THR A 78 1.031 11.119 -9.841 1.00 0.00 O ATOM 1157 CG2 THR A 78 0.863 8.993 -10.782 1.00 0.00 C ATOM 0 H THR A 78 0.764 10.033 -6.821 1.00 0.00 H new ATOM 0 HA THR A 78 -1.103 10.073 -9.158 1.00 0.00 H new ATOM 0 HB THR A 78 1.841 9.360 -8.899 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.821 11.278 -10.399 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.786 9.102 -11.352 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.682 7.937 -10.584 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.032 9.402 -11.356 1.00 0.00 H new ATOM 1165 N VAL A 79 -1.934 7.892 -8.633 1.00 0.00 N ATOM 1166 CA VAL A 79 -2.463 6.557 -8.410 1.00 0.00 C ATOM 1167 C VAL A 79 -2.208 5.699 -9.651 1.00 0.00 C ATOM 1168 O VAL A 79 -2.771 5.956 -10.714 1.00 0.00 O ATOM 1169 CB VAL A 79 -3.943 6.637 -8.031 1.00 0.00 C ATOM 1170 CG1 VAL A 79 -4.515 5.245 -7.759 1.00 0.00 C ATOM 1171 CG2 VAL A 79 -4.152 7.561 -6.830 1.00 0.00 C ATOM 0 H VAL A 79 -2.594 8.548 -9.052 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.953 6.078 -7.574 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.483 7.061 -8.877 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.568 5.330 -7.492 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.416 4.630 -8.653 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.969 4.781 -6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.213 7.600 -6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.593 7.179 -5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.800 8.563 -7.076 1.00 0.00 H new ATOM 1181 N ASN A 80 -1.360 4.697 -9.474 1.00 0.00 N ATOM 1182 CA ASN A 80 -1.024 3.799 -10.567 1.00 0.00 C ATOM 1183 C ASN A 80 -1.495 2.385 -10.222 1.00 0.00 C ATOM 1184 O ASN A 80 -1.019 1.786 -9.259 1.00 0.00 O ATOM 1185 CB ASN A 80 0.488 3.751 -10.795 1.00 0.00 C ATOM 1186 CG ASN A 80 1.017 5.113 -11.249 1.00 0.00 C ATOM 1187 OD1 ASN A 80 0.356 5.863 -11.949 1.00 0.00 O ATOM 1188 ND2 ASN A 80 2.242 5.390 -10.813 1.00 0.00 N ATOM 0 H ASN A 80 -0.895 4.487 -8.591 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.513 4.167 -11.469 1.00 0.00 H new ATOM 0 HB2 ASN A 80 0.989 3.451 -9.875 1.00 0.00 H new ATOM 0 HB3 ASN A 80 0.722 2.997 -11.546 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.684 6.275 -11.061 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.740 4.717 -10.230 1.00 0.00 H new ATOM 1195 N ILE A 81 -2.425 1.892 -11.027 1.00 0.00 N ATOM 1196 CA ILE A 81 -2.966 0.560 -10.819 1.00 0.00 C ATOM 1197 C ILE A 81 -1.986 -0.476 -11.375 1.00 0.00 C ATOM 1198 O ILE A 81 -1.264 -0.201 -12.332 1.00 0.00 O ATOM 1199 CB ILE A 81 -4.373 0.454 -11.410 1.00 0.00 C ATOM 1200 CG1 ILE A 81 -5.392 1.187 -10.535 1.00 0.00 C ATOM 1201 CG2 ILE A 81 -4.762 -1.007 -11.642 1.00 0.00 C ATOM 1202 CD1 ILE A 81 -6.779 1.175 -11.180 1.00 0.00 C ATOM 0 H ILE A 81 -2.818 2.392 -11.825 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.077 0.356 -9.754 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.372 0.945 -12.383 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.440 0.715 -9.553 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.069 2.216 -10.379 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.767 -1.054 -12.063 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.057 -1.466 -12.335 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.740 -1.544 -10.694 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -7.484 1.703 -10.537 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.733 1.669 -12.151 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.110 0.145 -11.312 1.00 0.00 H new ATOM 1214 N MET A 82 -1.992 -1.644 -10.751 1.00 0.00 N ATOM 1215 CA MET A 82 -1.113 -2.722 -11.171 1.00 0.00 C ATOM 1216 C MET A 82 -1.917 -3.906 -11.712 1.00 0.00 C ATOM 1217 O MET A 82 -1.403 -4.704 -12.494 1.00 0.00 O ATOM 1218 CB MET A 82 -0.265 -3.181 -9.984 1.00 0.00 C ATOM 1219 CG MET A 82 0.539 -2.017 -9.401 1.00 0.00 C ATOM 1220 SD MET A 82 1.735 -1.444 -10.596 1.00 0.00 S ATOM 1221 CE MET A 82 2.966 -0.760 -9.499 1.00 0.00 C ATOM 0 H MET A 82 -2.592 -1.868 -9.957 1.00 0.00 H new ATOM 0 HA MET A 82 -0.468 -2.350 -11.968 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.910 -3.604 -9.214 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.413 -3.973 -10.302 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.131 -1.203 -9.126 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.046 -2.334 -8.490 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.799 -0.371 -10.084 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.525 0.048 -8.915 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.327 -1.538 -8.827 1.00 0.00 H new ATOM 1231 N PHE A 83 -3.166 -3.982 -11.275 1.00 0.00 N ATOM 1232 CA PHE A 83 -4.046 -5.054 -11.706 1.00 0.00 C ATOM 1233 C PHE A 83 -5.084 -4.543 -12.707 1.00 0.00 C ATOM 1234 O PHE A 83 -5.443 -3.367 -12.688 1.00 0.00 O ATOM 1235 CB PHE A 83 -4.767 -5.569 -10.459 1.00 0.00 C ATOM 1236 CG PHE A 83 -6.172 -4.993 -10.270 1.00 0.00 C ATOM 1237 CD1 PHE A 83 -7.238 -5.592 -10.866 1.00 0.00 C ATOM 1238 CD2 PHE A 83 -6.355 -3.883 -9.507 1.00 0.00 C ATOM 1239 CE1 PHE A 83 -8.542 -5.057 -10.691 1.00 0.00 C ATOM 1240 CE2 PHE A 83 -7.658 -3.348 -9.332 1.00 0.00 C ATOM 1241 CZ PHE A 83 -8.725 -3.947 -9.927 1.00 0.00 C ATOM 0 H PHE A 83 -3.589 -3.318 -10.627 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.466 -5.838 -12.194 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.835 -6.655 -10.514 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.167 -5.331 -9.581 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -7.093 -6.474 -11.472 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.508 -3.408 -9.034 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -9.388 -5.532 -11.165 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -7.803 -2.465 -8.727 1.00 0.00 H new ATOM 0 HZ PHE A 83 -9.717 -3.541 -9.793 1.00 0.00 H new ATOM 1251 N GLY A 84 -5.538 -5.453 -13.557 1.00 0.00 N ATOM 1252 CA GLY A 84 -6.528 -5.109 -14.563 1.00 0.00 C ATOM 1253 C GLY A 84 -5.937 -4.166 -15.614 1.00 0.00 C ATOM 1254 O GLY A 84 -4.732 -3.919 -15.624 1.00 0.00 O ATOM 0 H GLY A 84 -5.238 -6.428 -13.569 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.891 -6.016 -15.046 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.387 -4.636 -14.087 1.00 0.00 H new ATOM 1258 N THR A 85 -6.813 -3.665 -16.472 1.00 0.00 N ATOM 1259 CA THR A 85 -6.393 -2.755 -17.524 1.00 0.00 C ATOM 1260 C THR A 85 -5.352 -1.769 -16.992 1.00 0.00 C ATOM 1261 O THR A 85 -5.402 -1.375 -15.828 1.00 0.00 O ATOM 1262 CB THR A 85 -7.643 -2.075 -18.087 1.00 0.00 C ATOM 1263 OG1 THR A 85 -8.209 -3.052 -18.956 1.00 0.00 O ATOM 1264 CG2 THR A 85 -7.305 -0.904 -19.013 1.00 0.00 C ATOM 0 H THR A 85 -7.812 -3.872 -16.460 1.00 0.00 H new ATOM 0 HA THR A 85 -5.902 -3.290 -18.337 1.00 0.00 H new ATOM 0 HB THR A 85 -8.265 -1.721 -17.265 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.026 -2.694 -19.363 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.227 -0.457 -19.385 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.736 -0.156 -18.461 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.711 -1.264 -19.853 1.00 0.00 H new ATOM 1272 N PRO A 86 -4.408 -1.388 -17.894 1.00 0.00 N ATOM 1273 CA PRO A 86 -3.356 -0.455 -17.527 1.00 0.00 C ATOM 1274 C PRO A 86 -3.897 0.974 -17.438 1.00 0.00 C ATOM 1275 O PRO A 86 -3.910 1.700 -18.431 1.00 0.00 O ATOM 1276 CB PRO A 86 -2.292 -0.621 -18.600 1.00 0.00 C ATOM 1277 CG PRO A 86 -2.984 -1.294 -19.773 1.00 0.00 C ATOM 1278 CD PRO A 86 -4.317 -1.833 -19.281 1.00 0.00 C ATOM 0 HA PRO A 86 -2.942 -0.655 -16.539 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -1.878 0.344 -18.892 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.462 -1.227 -18.236 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.136 -0.583 -20.585 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.368 -2.102 -20.167 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.144 -1.446 -19.876 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.355 -2.920 -19.351 1.00 0.00 H new ATOM 1286 N GLN A 87 -4.330 1.335 -16.239 1.00 0.00 N ATOM 1287 CA GLN A 87 -4.870 2.663 -16.007 1.00 0.00 C ATOM 1288 C GLN A 87 -3.907 3.486 -15.148 1.00 0.00 C ATOM 1289 O GLN A 87 -3.677 3.162 -13.984 1.00 0.00 O ATOM 1290 CB GLN A 87 -6.254 2.587 -15.358 1.00 0.00 C ATOM 1291 CG GLN A 87 -7.347 2.994 -16.348 1.00 0.00 C ATOM 1292 CD GLN A 87 -7.594 4.504 -16.302 1.00 0.00 C ATOM 1293 OE1 GLN A 87 -6.761 5.307 -16.689 1.00 0.00 O ATOM 1294 NE2 GLN A 87 -8.781 4.843 -15.807 1.00 0.00 N ATOM 0 H GLN A 87 -4.318 0.730 -15.418 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.983 3.161 -16.970 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.438 1.573 -15.004 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.287 3.240 -14.486 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.057 2.700 -17.357 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.270 2.464 -16.114 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.432 4.119 -15.501 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.041 5.827 -15.733 1.00 0.00 H new ATOM 1303 N GLU A 88 -3.370 4.533 -15.756 1.00 0.00 N ATOM 1304 CA GLU A 88 -2.437 5.404 -15.062 1.00 0.00 C ATOM 1305 C GLU A 88 -3.045 6.796 -14.880 1.00 0.00 C ATOM 1306 O GLU A 88 -3.267 7.512 -15.855 1.00 0.00 O ATOM 1307 CB GLU A 88 -1.102 5.481 -15.805 1.00 0.00 C ATOM 1308 CG GLU A 88 0.044 5.799 -14.843 1.00 0.00 C ATOM 1309 CD GLU A 88 1.366 5.955 -15.597 1.00 0.00 C ATOM 1310 OE1 GLU A 88 1.474 6.943 -16.355 1.00 0.00 O ATOM 1311 OE2 GLU A 88 2.239 5.083 -15.399 1.00 0.00 O ATOM 0 H GLU A 88 -3.563 4.798 -16.722 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.242 4.983 -14.076 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.907 4.534 -16.308 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.156 6.248 -16.578 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.178 6.716 -14.298 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.135 5.003 -14.104 1.00 0.00 H new ATOM 1318 N HIS A 89 -3.297 7.138 -13.625 1.00 0.00 N ATOM 1319 CA HIS A 89 -3.875 8.431 -13.304 1.00 0.00 C ATOM 1320 C HIS A 89 -2.774 9.382 -12.828 1.00 0.00 C ATOM 1321 O HIS A 89 -2.108 9.115 -11.829 1.00 0.00 O ATOM 1322 CB HIS A 89 -5.009 8.282 -12.287 1.00 0.00 C ATOM 1323 CG HIS A 89 -6.236 7.591 -12.833 1.00 0.00 C ATOM 1324 ND1 HIS A 89 -7.400 8.270 -13.151 1.00 0.00 N ATOM 1325 CD2 HIS A 89 -6.467 6.277 -13.115 1.00 0.00 C ATOM 1326 CE1 HIS A 89 -8.285 7.393 -13.602 1.00 0.00 C ATOM 1327 NE2 HIS A 89 -7.706 6.159 -13.578 1.00 0.00 N ATOM 0 H HIS A 89 -3.111 6.542 -12.819 1.00 0.00 H new ATOM 0 HA HIS A 89 -4.321 8.866 -14.199 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -4.641 7.722 -11.427 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -5.292 9.271 -11.926 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -7.551 9.274 -13.055 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.762 5.469 -12.984 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.289 7.617 -13.931 1.00 0.00 H new ATOM 1335 N ARG A 90 -2.617 10.471 -13.566 1.00 0.00 N ATOM 1336 CA ARG A 90 -1.609 11.462 -13.232 1.00 0.00 C ATOM 1337 C ARG A 90 -2.269 12.721 -12.667 1.00 0.00 C ATOM 1338 O ARG A 90 -3.260 13.205 -13.212 1.00 0.00 O ATOM 1339 CB ARG A 90 -0.778 11.837 -14.461 1.00 0.00 C ATOM 1340 CG ARG A 90 0.275 10.768 -14.759 1.00 0.00 C ATOM 1341 CD ARG A 90 0.879 10.965 -16.150 1.00 0.00 C ATOM 1342 NE ARG A 90 2.329 10.668 -16.119 1.00 0.00 N ATOM 1343 CZ ARG A 90 3.241 11.439 -15.512 1.00 0.00 C ATOM 1344 NH1 ARG A 90 2.859 12.558 -14.881 1.00 0.00 N ATOM 1345 NH2 ARG A 90 4.535 11.092 -15.535 1.00 0.00 N ATOM 0 H ARG A 90 -3.171 10.689 -14.394 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.950 11.026 -12.481 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.433 11.958 -15.324 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.290 12.797 -14.295 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.063 10.810 -14.007 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.177 9.779 -14.692 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.381 10.313 -16.867 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.716 11.990 -16.484 1.00 0.00 H new ATOM 0 HE ARG A 90 2.654 9.823 -16.589 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.874 12.822 -14.863 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.553 13.145 -14.419 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.826 10.240 -16.015 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.229 11.680 -15.073 1.00 0.00 H new ATOM 1359 N ASN A 91 -1.693 13.216 -11.582 1.00 0.00 N ATOM 1360 CA ASN A 91 -2.213 14.410 -10.937 1.00 0.00 C ATOM 1361 C ASN A 91 -3.673 14.178 -10.544 1.00 0.00 C ATOM 1362 O ASN A 91 -4.581 14.447 -11.329 1.00 0.00 O ATOM 1363 CB ASN A 91 -2.163 15.613 -11.882 1.00 0.00 C ATOM 1364 CG ASN A 91 -0.771 16.249 -11.887 1.00 0.00 C ATOM 1365 OD1 ASN A 91 0.246 15.577 -11.844 1.00 0.00 O ATOM 1366 ND2 ASN A 91 -0.784 17.577 -11.942 1.00 0.00 N ATOM 0 H ASN A 91 -0.871 12.812 -11.133 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.598 14.614 -10.060 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -2.426 15.298 -12.892 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.903 16.352 -11.575 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.094 18.096 -11.950 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.672 18.077 -11.976 1.00 0.00 H new ATOM 1373 N MET A 92 -3.854 13.679 -9.330 1.00 0.00 N ATOM 1374 CA MET A 92 -5.188 13.407 -8.823 1.00 0.00 C ATOM 1375 C MET A 92 -5.352 13.938 -7.398 1.00 0.00 C ATOM 1376 O MET A 92 -4.464 13.772 -6.563 1.00 0.00 O ATOM 1377 CB MET A 92 -5.443 11.899 -8.839 1.00 0.00 C ATOM 1378 CG MET A 92 -6.085 11.465 -10.159 1.00 0.00 C ATOM 1379 SD MET A 92 -7.843 11.766 -10.110 1.00 0.00 S ATOM 1380 CE MET A 92 -8.350 10.463 -9.001 1.00 0.00 C ATOM 0 H MET A 92 -3.098 13.456 -8.682 1.00 0.00 H new ATOM 0 HA MET A 92 -5.910 13.913 -9.464 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.503 11.366 -8.695 1.00 0.00 H new ATOM 0 HB3 MET A 92 -6.094 11.628 -8.008 1.00 0.00 H new ATOM 0 HG2 MET A 92 -5.637 12.012 -10.988 1.00 0.00 H new ATOM 0 HG3 MET A 92 -5.894 10.407 -10.335 1.00 0.00 H new ATOM 0 HE1 MET A 92 -9.416 10.271 -9.128 1.00 0.00 H new ATOM 0 HE2 MET A 92 -7.789 9.556 -9.225 1.00 0.00 H new ATOM 0 HE3 MET A 92 -8.156 10.765 -7.972 1.00 0.00 H new ATOM 1390 N PRO A 93 -6.525 14.583 -7.156 1.00 0.00 N ATOM 1391 CA PRO A 93 -6.817 15.139 -5.846 1.00 0.00 C ATOM 1392 C PRO A 93 -7.179 14.035 -4.850 1.00 0.00 C ATOM 1393 O PRO A 93 -7.814 13.047 -5.216 1.00 0.00 O ATOM 1394 CB PRO A 93 -7.952 16.122 -6.080 1.00 0.00 C ATOM 1395 CG PRO A 93 -8.564 15.742 -7.419 1.00 0.00 C ATOM 1396 CD PRO A 93 -7.600 14.798 -8.120 1.00 0.00 C ATOM 0 HA PRO A 93 -5.958 15.641 -5.401 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.692 16.062 -5.282 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.583 17.148 -6.096 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.532 15.261 -7.274 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.737 16.631 -8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.087 13.860 -8.386 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.221 15.233 -9.045 1.00 0.00 H new ATOM 1404 N GLN A 94 -6.759 14.240 -3.610 1.00 0.00 N ATOM 1405 CA GLN A 94 -7.030 13.274 -2.559 1.00 0.00 C ATOM 1406 C GLN A 94 -8.430 12.681 -2.731 1.00 0.00 C ATOM 1407 O GLN A 94 -8.574 11.514 -3.092 1.00 0.00 O ATOM 1408 CB GLN A 94 -6.870 13.910 -1.176 1.00 0.00 C ATOM 1409 CG GLN A 94 -5.564 13.465 -0.516 1.00 0.00 C ATOM 1410 CD GLN A 94 -4.757 14.671 -0.031 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -5.287 15.631 0.504 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -3.448 14.568 -0.246 1.00 0.00 N ATOM 0 H GLN A 94 -6.233 15.061 -3.310 1.00 0.00 H new ATOM 0 HA GLN A 94 -6.302 12.466 -2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.884 14.996 -1.267 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.714 13.633 -0.544 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.783 12.807 0.325 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.972 12.888 -1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.070 13.736 -0.699 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.823 15.321 0.043 1.00 0.00 H new ATOM 1421 N ALA A 95 -9.427 13.513 -2.466 1.00 0.00 N ATOM 1422 CA ALA A 95 -10.810 13.085 -2.587 1.00 0.00 C ATOM 1423 C ALA A 95 -10.950 12.160 -3.798 1.00 0.00 C ATOM 1424 O ALA A 95 -11.154 10.957 -3.644 1.00 0.00 O ATOM 1425 CB ALA A 95 -11.718 14.313 -2.684 1.00 0.00 C ATOM 0 H ALA A 95 -9.304 14.481 -2.168 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.115 12.522 -1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.756 13.992 -2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.604 14.922 -1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.442 14.901 -3.559 1.00 0.00 H new ATOM 1431 N ASP A 96 -10.833 12.758 -4.975 1.00 0.00 N ATOM 1432 CA ASP A 96 -10.943 12.003 -6.211 1.00 0.00 C ATOM 1433 C ASP A 96 -10.182 10.683 -6.068 1.00 0.00 C ATOM 1434 O ASP A 96 -10.692 9.625 -6.433 1.00 0.00 O ATOM 1435 CB ASP A 96 -10.335 12.774 -7.384 1.00 0.00 C ATOM 1436 CG ASP A 96 -11.264 13.802 -8.034 1.00 0.00 C ATOM 1437 OD1 ASP A 96 -11.973 14.490 -7.268 1.00 0.00 O ATOM 1438 OD2 ASP A 96 -11.244 13.875 -9.281 1.00 0.00 O ATOM 0 H ASP A 96 -10.663 13.756 -5.098 1.00 0.00 H new ATOM 0 HA ASP A 96 -12.001 11.827 -6.405 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.438 13.286 -7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -10.020 12.060 -8.144 1.00 0.00 H new ATOM 1443 N ALA A 97 -8.973 10.789 -5.535 1.00 0.00 N ATOM 1444 CA ALA A 97 -8.137 9.617 -5.339 1.00 0.00 C ATOM 1445 C ALA A 97 -8.853 8.634 -4.411 1.00 0.00 C ATOM 1446 O ALA A 97 -8.859 7.430 -4.662 1.00 0.00 O ATOM 1447 CB ALA A 97 -6.775 10.048 -4.792 1.00 0.00 C ATOM 0 H ALA A 97 -8.553 11.668 -5.233 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.962 9.108 -6.287 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.147 9.169 -4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.295 10.722 -5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.911 10.560 -3.840 1.00 0.00 H new ATOM 1453 N MET A 98 -9.441 9.184 -3.358 1.00 0.00 N ATOM 1454 CA MET A 98 -10.159 8.371 -2.392 1.00 0.00 C ATOM 1455 C MET A 98 -11.402 7.740 -3.022 1.00 0.00 C ATOM 1456 O MET A 98 -11.833 6.664 -2.610 1.00 0.00 O ATOM 1457 CB MET A 98 -10.573 9.238 -1.202 1.00 0.00 C ATOM 1458 CG MET A 98 -9.453 9.316 -0.163 1.00 0.00 C ATOM 1459 SD MET A 98 -8.506 10.811 -0.397 1.00 0.00 S ATOM 1460 CE MET A 98 -6.974 10.117 -0.996 1.00 0.00 C ATOM 0 H MET A 98 -9.434 10.183 -3.153 1.00 0.00 H new ATOM 0 HA MET A 98 -9.499 7.571 -2.057 1.00 0.00 H new ATOM 0 HB2 MET A 98 -10.823 10.241 -1.548 1.00 0.00 H new ATOM 0 HB3 MET A 98 -11.472 8.826 -0.743 1.00 0.00 H new ATOM 0 HG2 MET A 98 -9.876 9.297 0.842 1.00 0.00 H new ATOM 0 HG3 MET A 98 -8.802 8.446 -0.252 1.00 0.00 H new ATOM 0 HE1 MET A 98 -6.276 10.922 -1.228 1.00 0.00 H new ATOM 0 HE2 MET A 98 -6.543 9.472 -0.230 1.00 0.00 H new ATOM 0 HE3 MET A 98 -7.166 9.533 -1.896 1.00 0.00 H new ATOM 1470 N VAL A 99 -11.943 8.436 -4.011 1.00 0.00 N ATOM 1471 CA VAL A 99 -13.128 7.957 -4.702 1.00 0.00 C ATOM 1472 C VAL A 99 -12.715 6.946 -5.774 1.00 0.00 C ATOM 1473 O VAL A 99 -13.335 5.893 -5.911 1.00 0.00 O ATOM 1474 CB VAL A 99 -13.917 9.140 -5.268 1.00 0.00 C ATOM 1475 CG1 VAL A 99 -13.806 9.193 -6.793 1.00 0.00 C ATOM 1476 CG2 VAL A 99 -15.381 9.083 -4.827 1.00 0.00 C ATOM 0 H VAL A 99 -11.583 9.328 -4.350 1.00 0.00 H new ATOM 0 HA VAL A 99 -13.793 7.442 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 99 -13.482 10.056 -4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.375 10.043 -7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.760 9.302 -7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -14.204 8.272 -7.219 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.920 9.935 -5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -15.833 8.158 -5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -15.435 9.116 -3.739 1.00 0.00 H new ATOM 1486 N LEU A 100 -11.670 7.303 -6.507 1.00 0.00 N ATOM 1487 CA LEU A 100 -11.167 6.440 -7.562 1.00 0.00 C ATOM 1488 C LEU A 100 -10.664 5.132 -6.949 1.00 0.00 C ATOM 1489 O LEU A 100 -10.718 4.082 -7.587 1.00 0.00 O ATOM 1490 CB LEU A 100 -10.115 7.173 -8.397 1.00 0.00 C ATOM 1491 CG LEU A 100 -9.085 6.289 -9.104 1.00 0.00 C ATOM 1492 CD1 LEU A 100 -9.080 6.551 -10.611 1.00 0.00 C ATOM 1493 CD2 LEU A 100 -7.696 6.466 -8.487 1.00 0.00 C ATOM 0 H LEU A 100 -11.158 8.178 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.967 6.180 -8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.629 7.771 -9.150 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.583 7.868 -7.747 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.372 5.247 -8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.339 5.910 -11.089 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.066 6.334 -11.021 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.831 7.596 -10.798 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.983 5.827 -9.007 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.386 7.507 -8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.728 6.190 -7.433 1.00 0.00 H new ATOM 1505 N VAL A 101 -10.185 5.238 -5.718 1.00 0.00 N ATOM 1506 CA VAL A 101 -9.673 4.076 -5.012 1.00 0.00 C ATOM 1507 C VAL A 101 -10.836 3.329 -4.357 1.00 0.00 C ATOM 1508 O VAL A 101 -10.944 2.110 -4.484 1.00 0.00 O ATOM 1509 CB VAL A 101 -8.598 4.505 -4.010 1.00 0.00 C ATOM 1510 CG1 VAL A 101 -9.222 4.878 -2.664 1.00 0.00 C ATOM 1511 CG2 VAL A 101 -7.540 3.414 -3.841 1.00 0.00 C ATOM 0 H VAL A 101 -10.141 6.111 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.195 3.386 -5.708 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.104 5.392 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.437 5.179 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -9.920 5.704 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -9.754 4.017 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.788 3.744 -3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.013 2.502 -3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.064 3.217 -4.801 1.00 0.00 H new ATOM 1521 N ALA A 102 -11.676 4.090 -3.672 1.00 0.00 N ATOM 1522 CA ALA A 102 -12.828 3.515 -2.998 1.00 0.00 C ATOM 1523 C ALA A 102 -13.744 2.859 -4.032 1.00 0.00 C ATOM 1524 O ALA A 102 -14.370 1.837 -3.754 1.00 0.00 O ATOM 1525 CB ALA A 102 -13.542 4.600 -2.191 1.00 0.00 C ATOM 0 H ALA A 102 -11.582 5.100 -3.569 1.00 0.00 H new ATOM 0 HA ALA A 102 -12.515 2.741 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.406 4.168 -1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.857 5.013 -1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.873 5.394 -2.861 1.00 0.00 H new ATOM 1531 N ARG A 103 -13.795 3.473 -5.205 1.00 0.00 N ATOM 1532 CA ARG A 103 -14.624 2.962 -6.283 1.00 0.00 C ATOM 1533 C ARG A 103 -13.992 1.709 -6.891 1.00 0.00 C ATOM 1534 O ARG A 103 -14.599 0.639 -6.890 1.00 0.00 O ATOM 1535 CB ARG A 103 -14.813 4.013 -7.379 1.00 0.00 C ATOM 1536 CG ARG A 103 -15.732 5.141 -6.904 1.00 0.00 C ATOM 1537 CD ARG A 103 -17.040 5.152 -7.697 1.00 0.00 C ATOM 1538 NE ARG A 103 -16.775 5.517 -9.107 1.00 0.00 N ATOM 1539 CZ ARG A 103 -17.700 5.494 -10.076 1.00 0.00 C ATOM 1540 NH1 ARG A 103 -18.957 5.123 -9.794 1.00 0.00 N ATOM 1541 NH2 ARG A 103 -17.369 5.841 -11.327 1.00 0.00 N ATOM 0 H ARG A 103 -13.275 4.321 -5.432 1.00 0.00 H new ATOM 0 HA ARG A 103 -15.598 2.714 -5.862 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.845 4.424 -7.665 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -15.236 3.545 -8.268 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -15.947 5.017 -5.843 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -15.226 6.100 -7.017 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -17.512 4.171 -7.649 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -17.737 5.863 -7.254 1.00 0.00 H new ATOM 0 HE ARG A 103 -15.829 5.804 -9.357 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -19.209 4.858 -8.842 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -19.661 5.105 -10.532 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -16.413 6.123 -11.542 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -18.073 5.823 -12.064 1.00 0.00 H new ATOM 1555 N ASN A 104 -12.779 1.883 -7.397 1.00 0.00 N ATOM 1556 CA ASN A 104 -12.058 0.779 -8.007 1.00 0.00 C ATOM 1557 C ASN A 104 -11.983 -0.385 -7.017 1.00 0.00 C ATOM 1558 O ASN A 104 -12.297 -1.522 -7.366 1.00 0.00 O ATOM 1559 CB ASN A 104 -10.628 1.187 -8.366 1.00 0.00 C ATOM 1560 CG ASN A 104 -10.558 1.750 -9.787 1.00 0.00 C ATOM 1561 OD1 ASN A 104 -10.126 1.095 -10.721 1.00 0.00 O ATOM 1562 ND2 ASN A 104 -11.006 2.997 -9.897 1.00 0.00 N ATOM 0 H ASN A 104 -12.278 2.772 -7.397 1.00 0.00 H new ATOM 0 HA ASN A 104 -12.589 0.489 -8.914 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -10.270 1.934 -7.657 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -9.968 0.324 -8.280 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -11.001 3.462 -10.805 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -11.354 3.488 -9.074 1.00 0.00 H new ATOM 1569 N TYR A 105 -11.565 -0.061 -5.803 1.00 0.00 N ATOM 1570 CA TYR A 105 -11.445 -1.066 -4.760 1.00 0.00 C ATOM 1571 C TYR A 105 -12.690 -1.955 -4.709 1.00 0.00 C ATOM 1572 O TYR A 105 -12.585 -3.179 -4.763 1.00 0.00 O ATOM 1573 CB TYR A 105 -11.328 -0.296 -3.443 1.00 0.00 C ATOM 1574 CG TYR A 105 -11.387 -1.181 -2.197 1.00 0.00 C ATOM 1575 CD1 TYR A 105 -10.594 -2.308 -2.113 1.00 0.00 C ATOM 1576 CD2 TYR A 105 -12.233 -0.854 -1.157 1.00 0.00 C ATOM 1577 CE1 TYR A 105 -10.649 -3.141 -0.940 1.00 0.00 C ATOM 1578 CE2 TYR A 105 -12.288 -1.687 0.016 1.00 0.00 C ATOM 1579 CZ TYR A 105 -11.493 -2.789 0.067 1.00 0.00 C ATOM 1580 OH TYR A 105 -11.545 -3.577 1.175 1.00 0.00 O ATOM 0 H TYR A 105 -11.305 0.883 -5.518 1.00 0.00 H new ATOM 0 HA TYR A 105 -10.585 -1.710 -4.945 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.388 0.256 -3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -12.131 0.440 -3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.932 -2.565 -2.927 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -12.854 0.027 -1.223 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -10.034 -4.025 -0.861 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -12.946 -1.442 0.837 1.00 0.00 H new ATOM 0 HH TYR A 105 -11.210 -3.077 1.948 1.00 0.00 H new ATOM 1590 N GLU A 106 -13.839 -1.303 -4.605 1.00 0.00 N ATOM 1591 CA GLU A 106 -15.102 -2.019 -4.546 1.00 0.00 C ATOM 1592 C GLU A 106 -15.111 -3.165 -5.559 1.00 0.00 C ATOM 1593 O GLU A 106 -15.350 -4.316 -5.198 1.00 0.00 O ATOM 1594 CB GLU A 106 -16.280 -1.071 -4.779 1.00 0.00 C ATOM 1595 CG GLU A 106 -16.547 -0.212 -3.541 1.00 0.00 C ATOM 1596 CD GLU A 106 -17.917 -0.529 -2.938 1.00 0.00 C ATOM 1597 OE1 GLU A 106 -18.918 -0.085 -3.541 1.00 0.00 O ATOM 1598 OE2 GLU A 106 -17.932 -1.208 -1.889 1.00 0.00 O ATOM 0 H GLU A 106 -13.922 -0.287 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 106 -15.211 -2.443 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -16.070 -0.428 -5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -17.172 -1.647 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -15.769 -0.387 -2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -16.499 0.843 -3.809 1.00 0.00 H new ATOM 1605 N ARG A 107 -14.847 -2.810 -6.808 1.00 0.00 N ATOM 1606 CA ARG A 107 -14.822 -3.794 -7.877 1.00 0.00 C ATOM 1607 C ARG A 107 -13.689 -4.797 -7.648 1.00 0.00 C ATOM 1608 O ARG A 107 -13.925 -6.002 -7.589 1.00 0.00 O ATOM 1609 CB ARG A 107 -14.632 -3.123 -9.239 1.00 0.00 C ATOM 1610 CG ARG A 107 -15.588 -3.713 -10.278 1.00 0.00 C ATOM 1611 CD ARG A 107 -14.915 -4.837 -11.067 1.00 0.00 C ATOM 1612 NE ARG A 107 -15.303 -4.758 -12.493 1.00 0.00 N ATOM 1613 CZ ARG A 107 -16.531 -5.032 -12.954 1.00 0.00 C ATOM 1614 NH1 ARG A 107 -17.497 -5.405 -12.105 1.00 0.00 N ATOM 1615 NH2 ARG A 107 -16.792 -4.932 -14.265 1.00 0.00 N ATOM 0 H ARG A 107 -14.648 -1.854 -7.104 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.780 -4.314 -7.872 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.805 -2.051 -9.148 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -13.602 -3.252 -9.572 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -16.479 -4.096 -9.781 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -15.916 -2.930 -10.962 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -13.832 -4.761 -10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.204 -5.804 -10.656 1.00 0.00 H new ATOM 0 HE ARG A 107 -14.591 -4.477 -13.167 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.298 -5.481 -11.107 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.432 -5.614 -12.456 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -16.056 -4.647 -14.911 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.727 -5.141 -14.616 1.00 0.00 H new ATOM 1629 N TYR A 108 -12.483 -4.261 -7.525 1.00 0.00 N ATOM 1630 CA TYR A 108 -11.313 -5.094 -7.304 1.00 0.00 C ATOM 1631 C TYR A 108 -11.631 -6.240 -6.341 1.00 0.00 C ATOM 1632 O TYR A 108 -11.171 -7.365 -6.536 1.00 0.00 O ATOM 1633 CB TYR A 108 -10.262 -4.184 -6.666 1.00 0.00 C ATOM 1634 CG TYR A 108 -9.232 -4.926 -5.813 1.00 0.00 C ATOM 1635 CD1 TYR A 108 -8.147 -5.533 -6.413 1.00 0.00 C ATOM 1636 CD2 TYR A 108 -9.387 -4.989 -4.443 1.00 0.00 C ATOM 1637 CE1 TYR A 108 -7.177 -6.232 -5.610 1.00 0.00 C ATOM 1638 CE2 TYR A 108 -8.417 -5.688 -3.640 1.00 0.00 C ATOM 1639 CZ TYR A 108 -7.360 -6.275 -4.263 1.00 0.00 C ATOM 1640 OH TYR A 108 -6.444 -6.934 -3.504 1.00 0.00 O ATOM 0 H TYR A 108 -12.291 -3.260 -7.574 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.972 -5.533 -8.241 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -9.742 -3.639 -7.454 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -10.766 -3.443 -6.046 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -8.025 -5.484 -7.485 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.236 -4.514 -3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.324 -6.711 -6.067 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.526 -5.745 -2.567 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.703 -6.882 -2.560 1.00 0.00 H new ATOM 1650 N LYS A 109 -12.413 -5.915 -5.323 1.00 0.00 N ATOM 1651 CA LYS A 109 -12.797 -6.903 -4.329 1.00 0.00 C ATOM 1652 C LYS A 109 -13.714 -7.943 -4.977 1.00 0.00 C ATOM 1653 O LYS A 109 -13.508 -9.144 -4.816 1.00 0.00 O ATOM 1654 CB LYS A 109 -13.410 -6.222 -3.104 1.00 0.00 C ATOM 1655 CG LYS A 109 -12.643 -6.589 -1.831 1.00 0.00 C ATOM 1656 CD LYS A 109 -12.819 -5.515 -0.756 1.00 0.00 C ATOM 1657 CE LYS A 109 -14.240 -5.532 -0.191 1.00 0.00 C ATOM 1658 NZ LYS A 109 -14.490 -6.791 0.546 1.00 0.00 N ATOM 0 H LYS A 109 -12.792 -4.981 -5.165 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.919 -7.435 -3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.398 -5.141 -3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.454 -6.519 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.997 -7.548 -1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -11.584 -6.708 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.102 -5.680 0.048 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.604 -4.534 -1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.384 -4.680 0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.961 -5.429 -1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.294 -6.661 1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.709 -7.551 -0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.643 -7.047 1.093 1.00 0.00 H new ATOM 1672 N ASN A 110 -14.708 -7.442 -5.695 1.00 0.00 N ATOM 1673 CA ASN A 110 -15.658 -8.311 -6.368 1.00 0.00 C ATOM 1674 C ASN A 110 -14.897 -9.403 -7.123 1.00 0.00 C ATOM 1675 O ASN A 110 -15.365 -10.536 -7.221 1.00 0.00 O ATOM 1676 CB ASN A 110 -16.496 -7.532 -7.384 1.00 0.00 C ATOM 1677 CG ASN A 110 -17.181 -6.333 -6.724 1.00 0.00 C ATOM 1678 OD1 ASN A 110 -17.142 -6.149 -5.519 1.00 0.00 O ATOM 1679 ND2 ASN A 110 -17.811 -5.532 -7.579 1.00 0.00 N ATOM 0 H ASN A 110 -14.876 -6.444 -5.825 1.00 0.00 H new ATOM 0 HA ASN A 110 -16.316 -8.740 -5.612 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -15.859 -7.188 -8.199 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -17.247 -8.189 -7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -18.301 -4.705 -7.237 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -17.804 -5.745 -8.577 1.00 0.00 H new ATOM 1686 N GLU A 111 -13.736 -9.024 -7.636 1.00 0.00 N ATOM 1687 CA GLU A 111 -12.905 -9.957 -8.378 1.00 0.00 C ATOM 1688 C GLU A 111 -11.881 -10.611 -7.449 1.00 0.00 C ATOM 1689 O GLU A 111 -11.397 -11.707 -7.727 1.00 0.00 O ATOM 1690 CB GLU A 111 -12.214 -9.261 -9.553 1.00 0.00 C ATOM 1691 CG GLU A 111 -13.234 -8.810 -10.600 1.00 0.00 C ATOM 1692 CD GLU A 111 -12.598 -7.848 -11.606 1.00 0.00 C ATOM 1693 OE1 GLU A 111 -12.486 -6.653 -11.255 1.00 0.00 O ATOM 1694 OE2 GLU A 111 -12.240 -8.328 -12.702 1.00 0.00 O ATOM 0 H GLU A 111 -13.351 -8.083 -7.553 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.546 -10.738 -8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.654 -8.399 -9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.494 -9.940 -10.010 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.631 -9.679 -11.124 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.075 -8.323 -10.107 1.00 0.00 H new ATOM 1701 N CYS A 112 -11.582 -9.912 -6.365 1.00 0.00 N ATOM 1702 CA CYS A 112 -10.624 -10.411 -5.393 1.00 0.00 C ATOM 1703 C CYS A 112 -11.146 -11.740 -4.843 1.00 0.00 C ATOM 1704 O CYS A 112 -10.462 -12.760 -4.920 1.00 0.00 O ATOM 1705 CB CYS A 112 -10.366 -9.395 -4.279 1.00 0.00 C ATOM 1706 SG CYS A 112 -8.965 -9.948 -3.239 1.00 0.00 S ATOM 0 H CYS A 112 -11.986 -9.004 -6.138 1.00 0.00 H new ATOM 0 HA CYS A 112 -9.661 -10.572 -5.878 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -10.146 -8.418 -4.710 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -11.260 -9.279 -3.667 1.00 0.00 H new ATOM 0 HG CYS A 112 -8.753 -9.077 -2.297 1.00 0.00 H new ATOM 1712 N ARG A 113 -12.353 -11.686 -4.300 1.00 0.00 N ATOM 1713 CA ARG A 113 -12.975 -12.873 -3.738 1.00 0.00 C ATOM 1714 C ARG A 113 -12.741 -14.078 -4.652 1.00 0.00 C ATOM 1715 O ARG A 113 -12.222 -15.104 -4.212 1.00 0.00 O ATOM 1716 CB ARG A 113 -14.479 -12.670 -3.549 1.00 0.00 C ATOM 1717 CG ARG A 113 -14.861 -12.746 -2.069 1.00 0.00 C ATOM 1718 CD ARG A 113 -14.993 -14.200 -1.611 1.00 0.00 C ATOM 1719 NE ARG A 113 -16.400 -14.643 -1.731 1.00 0.00 N ATOM 1720 CZ ARG A 113 -16.801 -15.915 -1.597 1.00 0.00 C ATOM 1721 NH1 ARG A 113 -15.905 -16.876 -1.337 1.00 0.00 N ATOM 1722 NH2 ARG A 113 -18.098 -16.225 -1.723 1.00 0.00 N ATOM 0 H ARG A 113 -12.917 -10.839 -4.237 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.520 -13.056 -2.765 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -14.773 -11.702 -3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -15.025 -13.429 -4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.106 -12.239 -1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -15.803 -12.222 -1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -14.349 -14.840 -2.214 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.660 -14.296 -0.578 1.00 0.00 H new ATOM 0 HE ARG A 113 -17.109 -13.936 -1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -14.917 -16.640 -1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -16.210 -17.844 -1.235 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -18.780 -15.493 -1.921 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -18.403 -17.193 -1.621 1.00 0.00 H new ATOM 1736 N GLU A 114 -13.134 -13.915 -5.906 1.00 0.00 N ATOM 1737 CA GLU A 114 -12.974 -14.976 -6.885 1.00 0.00 C ATOM 1738 C GLU A 114 -11.519 -15.053 -7.352 1.00 0.00 C ATOM 1739 O GLU A 114 -11.127 -14.359 -8.289 1.00 0.00 O ATOM 1740 CB GLU A 114 -13.920 -14.776 -8.071 1.00 0.00 C ATOM 1741 CG GLU A 114 -14.709 -16.054 -8.365 1.00 0.00 C ATOM 1742 CD GLU A 114 -15.842 -15.783 -9.357 1.00 0.00 C ATOM 1743 OE1 GLU A 114 -15.519 -15.594 -10.549 1.00 0.00 O ATOM 1744 OE2 GLU A 114 -17.005 -15.772 -8.900 1.00 0.00 O ATOM 0 H GLU A 114 -13.563 -13.063 -6.267 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.234 -15.922 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -14.610 -13.960 -7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.348 -14.487 -8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.040 -16.813 -8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -15.120 -16.453 -7.438 1.00 0.00 H new ATOM 1751 N LYS A 115 -10.758 -15.902 -6.676 1.00 0.00 N ATOM 1752 CA LYS A 115 -9.355 -16.078 -7.010 1.00 0.00 C ATOM 1753 C LYS A 115 -8.878 -17.435 -6.489 1.00 0.00 C ATOM 1754 O LYS A 115 -9.660 -18.196 -5.921 1.00 0.00 O ATOM 1755 CB LYS A 115 -8.530 -14.897 -6.496 1.00 0.00 C ATOM 1756 CG LYS A 115 -8.244 -13.897 -7.619 1.00 0.00 C ATOM 1757 CD LYS A 115 -6.778 -13.961 -8.050 1.00 0.00 C ATOM 1758 CE LYS A 115 -6.658 -14.283 -9.541 1.00 0.00 C ATOM 1759 NZ LYS A 115 -6.339 -15.716 -9.737 1.00 0.00 N ATOM 0 H LYS A 115 -11.087 -16.475 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 115 -9.218 -16.085 -8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -9.066 -14.399 -5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.590 -15.259 -6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -8.887 -14.110 -8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -8.484 -12.888 -7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.292 -13.008 -7.840 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.257 -14.720 -7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -7.592 -14.039 -10.048 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -5.880 -13.666 -9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -6.261 -15.918 -10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.437 -15.938 -9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.095 -16.299 -9.325 1.00 0.00 H new ATOM 1773 N GLU A 116 -7.596 -17.696 -6.700 1.00 0.00 N ATOM 1774 CA GLU A 116 -7.005 -18.948 -6.258 1.00 0.00 C ATOM 1775 C GLU A 116 -5.940 -18.685 -5.191 1.00 0.00 C ATOM 1776 O GLU A 116 -5.082 -17.822 -5.366 1.00 0.00 O ATOM 1777 CB GLU A 116 -6.419 -19.724 -7.439 1.00 0.00 C ATOM 1778 CG GLU A 116 -7.406 -20.778 -7.947 1.00 0.00 C ATOM 1779 CD GLU A 116 -7.033 -22.171 -7.434 1.00 0.00 C ATOM 1780 OE1 GLU A 116 -6.044 -22.724 -7.963 1.00 0.00 O ATOM 1781 OE2 GLU A 116 -7.744 -22.650 -6.526 1.00 0.00 O ATOM 0 H GLU A 116 -6.950 -17.062 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.790 -19.562 -5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -6.172 -19.034 -8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.490 -20.207 -7.136 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.415 -20.524 -7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -7.414 -20.778 -9.037 1.00 0.00 H new ATOM 1788 N ARG A 117 -6.031 -19.446 -4.110 1.00 0.00 N ATOM 1789 CA ARG A 117 -5.086 -19.306 -3.016 1.00 0.00 C ATOM 1790 C ARG A 117 -5.124 -17.881 -2.460 1.00 0.00 C ATOM 1791 O ARG A 117 -4.760 -16.931 -3.151 1.00 0.00 O ATOM 1792 CB ARG A 117 -3.662 -19.629 -3.473 1.00 0.00 C ATOM 1793 CG ARG A 117 -3.519 -21.114 -3.814 1.00 0.00 C ATOM 1794 CD ARG A 117 -2.536 -21.319 -4.969 1.00 0.00 C ATOM 1795 NE ARG A 117 -1.218 -21.738 -4.443 1.00 0.00 N ATOM 1796 CZ ARG A 117 -0.273 -20.888 -4.020 1.00 0.00 C ATOM 1797 NH1 ARG A 117 -0.494 -19.567 -4.058 1.00 0.00 N ATOM 1798 NH2 ARG A 117 0.894 -21.359 -3.558 1.00 0.00 N ATOM 0 H ARG A 117 -6.744 -20.161 -3.969 1.00 0.00 H new ATOM 0 HA ARG A 117 -5.375 -20.012 -2.237 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -3.411 -19.026 -4.346 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.955 -19.363 -2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -3.174 -21.661 -2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -4.492 -21.525 -4.083 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -2.920 -22.074 -5.655 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -2.433 -20.395 -5.538 1.00 0.00 H new ATOM 0 HE ARG A 117 -1.016 -22.737 -4.400 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -1.382 -19.208 -4.409 1.00 0.00 H new ATOM 0 HH12 ARG A 117 0.226 -18.920 -3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 117 1.062 -22.365 -3.529 1.00 0.00 H new ATOM 0 HH22 ARG A 117 1.614 -20.712 -3.236 1.00 0.00 H new ATOM 1812 N GLU A 118 -5.569 -17.777 -1.216 1.00 0.00 N ATOM 1813 CA GLU A 118 -5.661 -16.484 -0.559 1.00 0.00 C ATOM 1814 C GLU A 118 -4.406 -15.656 -0.842 1.00 0.00 C ATOM 1815 O GLU A 118 -3.331 -16.208 -1.069 1.00 0.00 O ATOM 1816 CB GLU A 118 -5.882 -16.648 0.945 1.00 0.00 C ATOM 1817 CG GLU A 118 -6.679 -15.472 1.514 1.00 0.00 C ATOM 1818 CD GLU A 118 -6.697 -15.509 3.043 1.00 0.00 C ATOM 1819 OE1 GLU A 118 -5.619 -15.776 3.617 1.00 0.00 O ATOM 1820 OE2 GLU A 118 -7.788 -15.271 3.604 1.00 0.00 O ATOM 0 H GLU A 118 -5.870 -18.567 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 118 -6.523 -15.953 -0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -6.414 -17.580 1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.920 -16.719 1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -6.241 -14.533 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -7.700 -15.503 1.134 1.00 0.00 H new ATOM 1827 N GLU A 119 -4.585 -14.343 -0.819 1.00 0.00 N ATOM 1828 CA GLU A 119 -3.480 -13.433 -1.070 1.00 0.00 C ATOM 1829 C GLU A 119 -2.482 -13.477 0.089 1.00 0.00 C ATOM 1830 O GLU A 119 -1.398 -12.902 0.002 1.00 0.00 O ATOM 1831 CB GLU A 119 -3.986 -12.008 -1.303 1.00 0.00 C ATOM 1832 CG GLU A 119 -3.421 -11.432 -2.603 1.00 0.00 C ATOM 1833 CD GLU A 119 -4.535 -11.190 -3.625 1.00 0.00 C ATOM 1834 OE1 GLU A 119 -5.438 -12.052 -3.694 1.00 0.00 O ATOM 1835 OE2 GLU A 119 -4.457 -10.150 -4.313 1.00 0.00 O ATOM 0 H GLU A 119 -5.478 -13.888 -0.631 1.00 0.00 H new ATOM 0 HA GLU A 119 -2.968 -13.755 -1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.075 -12.007 -1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -3.698 -11.374 -0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -2.903 -10.496 -2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -2.684 -12.118 -3.019 1.00 0.00 H new ATOM 1842 N ILE A 120 -2.883 -14.165 1.148 1.00 0.00 N ATOM 1843 CA ILE A 120 -2.038 -14.292 2.322 1.00 0.00 C ATOM 1844 C ILE A 120 -1.439 -15.700 2.365 1.00 0.00 C ATOM 1845 O ILE A 120 -0.639 -16.064 1.504 1.00 0.00 O ATOM 1846 CB ILE A 120 -2.815 -13.917 3.586 1.00 0.00 C ATOM 1847 CG1 ILE A 120 -3.449 -12.531 3.447 1.00 0.00 C ATOM 1848 CG2 ILE A 120 -1.927 -14.019 4.827 1.00 0.00 C ATOM 1849 CD1 ILE A 120 -4.773 -12.456 4.210 1.00 0.00 C ATOM 0 H ILE A 120 -3.783 -14.640 1.217 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.205 -13.591 2.268 1.00 0.00 H new ATOM 0 HB ILE A 120 -3.627 -14.633 3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.763 -11.773 3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.619 -12.309 2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.504 -13.747 5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -1.564 -15.041 4.931 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.079 -13.341 4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.203 -11.461 4.095 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -5.465 -13.198 3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.596 -12.655 5.267 1.00 0.00 H new ATOM 1861 N ALA A 121 -1.849 -16.453 3.375 1.00 0.00 N ATOM 1862 CA ALA A 121 -1.363 -17.812 3.540 1.00 0.00 C ATOM 1863 C ALA A 121 0.139 -17.850 3.254 1.00 0.00 C ATOM 1864 O ALA A 121 0.570 -18.429 2.258 1.00 0.00 O ATOM 1865 CB ALA A 121 -2.155 -18.752 2.629 1.00 0.00 C ATOM 0 H ALA A 121 -2.512 -16.148 4.087 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.512 -18.151 4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -1.790 -19.772 2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.212 -18.710 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.028 -18.445 1.591 1.00 0.00 H new ATOM 1871 N ARG A 122 0.895 -17.227 4.145 1.00 0.00 N ATOM 1872 CA ARG A 122 2.340 -17.182 4.001 1.00 0.00 C ATOM 1873 C ARG A 122 2.888 -18.581 3.708 1.00 0.00 C ATOM 1874 O ARG A 122 2.815 -19.470 4.555 1.00 0.00 O ATOM 1875 CB ARG A 122 3.004 -16.637 5.267 1.00 0.00 C ATOM 1876 CG ARG A 122 4.529 -16.695 5.155 1.00 0.00 C ATOM 1877 CD ARG A 122 5.185 -15.661 6.073 1.00 0.00 C ATOM 1878 NE ARG A 122 4.697 -14.305 5.737 1.00 0.00 N ATOM 1879 CZ ARG A 122 5.084 -13.189 6.371 1.00 0.00 C ATOM 1880 NH1 ARG A 122 5.965 -13.262 7.378 1.00 0.00 N ATOM 1881 NH2 ARG A 122 4.588 -12.001 5.999 1.00 0.00 N ATOM 0 H ARG A 122 0.534 -16.749 4.970 1.00 0.00 H new ATOM 0 HA ARG A 122 2.569 -16.516 3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 122 2.687 -15.608 5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.677 -17.215 6.131 1.00 0.00 H new ATOM 0 HG2 ARG A 122 4.879 -17.693 5.417 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.829 -16.513 4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 122 4.958 -15.891 7.114 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.269 -15.703 5.966 1.00 0.00 H new ATOM 0 HE ARG A 122 4.024 -14.214 4.976 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.341 -14.167 7.662 1.00 0.00 H new ATOM 0 HH12 ARG A 122 6.260 -12.413 7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.916 -11.946 5.234 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.882 -11.152 6.481 1.00 0.00 H new ATOM 1895 N GLN A 123 3.424 -18.731 2.506 1.00 0.00 N ATOM 1896 CA GLN A 123 3.983 -20.007 2.090 1.00 0.00 C ATOM 1897 C GLN A 123 5.237 -20.327 2.907 1.00 0.00 C ATOM 1898 O GLN A 123 5.741 -19.475 3.637 1.00 0.00 O ATOM 1899 CB GLN A 123 4.290 -20.009 0.591 1.00 0.00 C ATOM 1900 CG GLN A 123 3.619 -21.195 -0.104 1.00 0.00 C ATOM 1901 CD GLN A 123 4.581 -22.379 -0.217 1.00 0.00 C ATOM 1902 OE1 GLN A 123 4.593 -23.282 0.603 1.00 0.00 O ATOM 1903 NE2 GLN A 123 5.383 -22.326 -1.276 1.00 0.00 N ATOM 0 H GLN A 123 3.483 -17.991 1.807 1.00 0.00 H new ATOM 0 HA GLN A 123 3.242 -20.785 2.276 1.00 0.00 H new ATOM 0 HB2 GLN A 123 3.944 -19.077 0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.368 -20.055 0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 123 2.732 -21.494 0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 123 3.285 -20.897 -1.098 1.00 0.00 H new ATOM 0 HE21 GLN A 123 5.321 -21.541 -1.924 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.060 -23.071 -1.440 1.00 0.00 H new ATOM 1912 N ALA A 124 5.703 -21.558 2.757 1.00 0.00 N ATOM 1913 CA ALA A 124 6.888 -22.002 3.471 1.00 0.00 C ATOM 1914 C ALA A 124 7.998 -20.963 3.304 1.00 0.00 C ATOM 1915 O ALA A 124 8.028 -20.236 2.313 1.00 0.00 O ATOM 1916 CB ALA A 124 7.302 -23.385 2.964 1.00 0.00 C ATOM 0 H ALA A 124 5.281 -22.262 2.151 1.00 0.00 H new ATOM 0 HA ALA A 124 6.681 -22.095 4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.191 -23.718 3.500 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.490 -24.093 3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 124 7.520 -23.331 1.897 1.00 0.00 H new ATOM 1922 N SER A 125 8.884 -20.927 4.289 1.00 0.00 N ATOM 1923 CA SER A 125 9.993 -19.989 4.263 1.00 0.00 C ATOM 1924 C SER A 125 10.909 -20.229 5.465 1.00 0.00 C ATOM 1925 O SER A 125 10.682 -19.679 6.542 1.00 0.00 O ATOM 1926 CB SER A 125 9.492 -18.543 4.257 1.00 0.00 C ATOM 1927 OG SER A 125 8.630 -18.273 5.358 1.00 0.00 O ATOM 0 H SER A 125 8.856 -21.532 5.110 1.00 0.00 H new ATOM 0 HA SER A 125 10.558 -20.152 3.345 1.00 0.00 H new ATOM 0 HB2 SER A 125 10.344 -17.864 4.288 1.00 0.00 H new ATOM 0 HB3 SER A 125 8.962 -18.347 3.325 1.00 0.00 H new ATOM 0 HG SER A 125 9.043 -18.600 6.184 1.00 0.00 H new ATOM 1933 N GLY A 126 11.924 -21.050 5.241 1.00 0.00 N ATOM 1934 CA GLY A 126 12.875 -21.369 6.292 1.00 0.00 C ATOM 1935 C GLY A 126 14.312 -21.311 5.768 1.00 0.00 C ATOM 1936 O GLY A 126 14.777 -22.245 5.118 1.00 0.00 O ATOM 0 H GLY A 126 12.109 -21.504 4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 126 12.757 -20.669 7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 126 12.667 -22.364 6.685 1.00 0.00 H new ATOM 1940 N PRO A 127 14.991 -20.175 6.080 1.00 0.00 N ATOM 1941 CA PRO A 127 16.365 -19.983 5.648 1.00 0.00 C ATOM 1942 C PRO A 127 17.327 -20.829 6.485 1.00 0.00 C ATOM 1943 O PRO A 127 17.663 -20.463 7.610 1.00 0.00 O ATOM 1944 CB PRO A 127 16.616 -18.490 5.784 1.00 0.00 C ATOM 1945 CG PRO A 127 15.537 -17.970 6.720 1.00 0.00 C ATOM 1946 CD PRO A 127 14.472 -19.048 6.849 1.00 0.00 C ATOM 0 HA PRO A 127 16.532 -20.310 4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 127 17.610 -18.296 6.188 1.00 0.00 H new ATOM 0 HB3 PRO A 127 16.564 -17.995 4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 127 15.960 -17.733 7.696 1.00 0.00 H new ATOM 0 HG3 PRO A 127 15.103 -17.050 6.329 1.00 0.00 H new ATOM 0 HD2 PRO A 127 14.309 -19.321 7.892 1.00 0.00 H new ATOM 0 HD3 PRO A 127 13.514 -18.708 6.456 1.00 0.00 H new ATOM 1954 N SER A 128 17.742 -21.945 5.904 1.00 0.00 N ATOM 1955 CA SER A 128 18.658 -22.846 6.582 1.00 0.00 C ATOM 1956 C SER A 128 20.059 -22.233 6.627 1.00 0.00 C ATOM 1957 O SER A 128 20.345 -21.279 5.905 1.00 0.00 O ATOM 1958 CB SER A 128 18.698 -24.212 5.893 1.00 0.00 C ATOM 1959 OG SER A 128 18.157 -25.241 6.716 1.00 0.00 O ATOM 0 H SER A 128 17.461 -22.246 4.971 1.00 0.00 H new ATOM 0 HA SER A 128 18.300 -22.993 7.601 1.00 0.00 H new ATOM 0 HB2 SER A 128 18.139 -24.163 4.959 1.00 0.00 H new ATOM 0 HB3 SER A 128 19.728 -24.458 5.635 1.00 0.00 H new ATOM 0 HG SER A 128 18.199 -26.097 6.240 1.00 0.00 H new ATOM 1965 N SER A 129 20.894 -22.806 7.481 1.00 0.00 N ATOM 1966 CA SER A 129 22.258 -22.327 7.629 1.00 0.00 C ATOM 1967 C SER A 129 23.199 -23.146 6.744 1.00 0.00 C ATOM 1968 O SER A 129 23.925 -22.590 5.922 1.00 0.00 O ATOM 1969 CB SER A 129 22.710 -22.394 9.089 1.00 0.00 C ATOM 1970 OG SER A 129 23.005 -21.104 9.617 1.00 0.00 O ATOM 0 H SER A 129 20.653 -23.597 8.078 1.00 0.00 H new ATOM 0 HA SER A 129 22.290 -21.284 7.315 1.00 0.00 H new ATOM 0 HB2 SER A 129 21.929 -22.861 9.689 1.00 0.00 H new ATOM 0 HB3 SER A 129 23.593 -23.028 9.166 1.00 0.00 H new ATOM 0 HG SER A 129 23.288 -21.190 10.551 1.00 0.00 H new ATOM 1976 N GLY A 130 23.156 -24.456 6.942 1.00 0.00 N ATOM 1977 CA GLY A 130 23.996 -25.357 6.172 1.00 0.00 C ATOM 1978 C GLY A 130 23.304 -25.777 4.874 1.00 0.00 C ATOM 1979 O GLY A 130 22.995 -24.936 4.031 1.00 0.00 O ATOM 0 H GLY A 130 22.552 -24.914 7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 130 24.943 -24.869 5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 130 24.229 -26.240 6.767 1.00 0.00 H new TER 1983 GLY A 130