USER MOD reduce.3.24.130724 H: found=0, std=0, add=1133, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1134 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 126 ASNHD21 : A 126 ASN ND2 : A 161 NAG C1 :(H bumps) USER MOD Set 1.1: A 106 THR OG1 : rot 45:sc= -1.04! USER MOD Set 1.2: A 111 SER OG : rot -150:sc= -2.68! USER MOD Set 2.1: A 86 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 87 ASN : amide:sc= -0.0356 X(o=-0.036,f=0.0029) USER MOD Set 3.1: A 51 SER OG : rot 143:sc= 0.694 USER MOD Set 3.2: A 84 THR OG1 : rot -106:sc= -1.79 USER MOD Set 4.1: A 47 TYR OH : rot 32:sc= -6.22! USER MOD Set 4.2: A 79 HIS : no HD1:sc= -3.68! C(o=-9.9!,f=-13!) USER MOD Set 5.1: A 20 LYS NZ :NH3+ 175:sc= 0.662 (180deg=0.373!) USER MOD Set 5.2: A 22 GLN : amide:sc= -1.44! C(o=-0.78!,f=-5.4!) USER MOD Set 6.1: A 3 HIS :FLIP no HE2:sc= -18.3! C(o=-44!,f=-38!) USER MOD Set 6.2: A 13 SER OG : rot -52:sc= 1.07 USER MOD Set 6.3: A 16 MET CE :methyl -113:sc= -8.83! (180deg=-13.6!) USER MOD Set 6.4: A 144 THR OG1 : rot -120:sc= -1.48! USER MOD Set 6.5: A 145 THR OG1 : rot 100:sc= 0.878 USER MOD Set 6.6: A 153 LYS NZ :NH3+ -139:sc= -11.8! (180deg=-16.5!) USER MOD Single : A 1 TYR N :NH3+ -143:sc= 0.0645 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.281! USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -48:sc= -1.26! USER MOD Single : A 17 GLN : amide:sc= 0.0631 K(o=0.063,f=-2!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0138 X(o=-0.014,f=-0.24) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.8!) USER MOD Single : A 27 MET CE :methyl -135:sc= -8.34! (180deg=-11.4!) USER MOD Single : A 30 THR OG1 : rot 150:sc= -6.85! USER MOD Single : A 34 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.47) USER MOD Single : A 37 SER OG : rot 38:sc= -3.17! USER MOD Single : A 39 GLN : amide:sc= -0.0165 K(o=-0.016,f=-1.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : A 44 THR OG1 : rot 89:sc= -3.47! USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 179:sc= -0.231! USER MOD Single : A 50 ASN : amide:sc= -6.86! C(o=-6.9!,f=-13!) USER MOD Single : A 52 ASN : amide:sc= -1.57 K(o=-1.6,f=-4.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -5.7! C(o=-6.6!,f=-5.7!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.715 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0603 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot -69:sc= -2.93! USER MOD Single : A 85 THR OG1 : rot 110:sc= -0.544 USER MOD Single : A 88 TYR OH : rot 135:sc= 0.0188 USER MOD Single : A 90 GLN : amide:sc= -0.0531 X(o=-0.053,f=-0.1) USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 145:sc= 0.746 (180deg=-0.935!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 41:sc= 0.767 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.388 USER MOD Single : A 100 HIS : no HD1:sc=-0.00683 X(o=-0.0068,f=0) USER MOD Single : A 101 THR OG1 : rot 160:sc= -0.755 USER MOD Single : A 105 GLN : amide:sc= -0.916 X(o=-0.92,f=-0.88) USER MOD Single : A 110 ASN : amide:sc= 0.046 K(o=0.046,f=-4.8!) USER MOD Single : A 112 ASN : amide:sc= -1.09 K(o=-1.1,f=-5.7!) USER MOD Single : A 117 HIS :FLIP no HE2:sc= -6.63! C(o=-8.5!,f=-6.6!) USER MOD Single : A 122 TYR OH : rot 150:sc= -4.53! USER MOD Single : A 123 ASN : amide:sc= -0.0505 K(o=-0.05,f=-1) USER MOD Single : A 124 ASN : amide:sc= -4.16! C(o=-4.2!,f=-4.5!) USER MOD Single : A 125 HIS : no HD1:sc= -0.098 X(o=-0.098,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= -2.17! USER MOD Single : A 131 THR OG1 : rot -170:sc= 0 USER MOD Single : A 132 SER OG : rot -118:sc= -1.41 USER MOD Single : A 138 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.23) USER MOD Single : A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.43) USER MOD Single : A 147 ASN : amide:sc= -6.16! C(o=-6.2!,f=-15!) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -4.9! C(o=-4.9!,f=-17!) USER MOD Single : A 159 MET CE :methyl 169:sc= -2.26 (180deg=-2.51!) USER MOD Single : A 161 NAG O3 : rot 154:sc= 0.0308 USER MOD Single : A 161 NAG O4 : rot 160:sc= 0.0314 USER MOD Single : A 161 NAG O6 : rot 15:sc= 0.374 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 7.339 0.000 23.852 1.00 0.00 N ATOM 2 CA TYR A 1 8.514 -0.761 23.355 1.00 0.00 C ATOM 3 C TYR A 1 8.421 -1.001 21.852 1.00 0.00 C ATOM 4 O TYR A 1 7.540 -0.462 21.182 1.00 0.00 O ATOM 5 CB TYR A 1 8.579 -2.097 24.100 1.00 0.00 C ATOM 6 CG TYR A 1 9.975 -2.480 24.536 1.00 0.00 C ATOM 7 CD1 TYR A 1 10.725 -1.638 25.347 1.00 0.00 C ATOM 8 CD2 TYR A 1 10.542 -3.684 24.137 1.00 0.00 C ATOM 9 CE1 TYR A 1 12.001 -1.986 25.749 1.00 0.00 C ATOM 10 CE2 TYR A 1 11.816 -4.038 24.535 1.00 0.00 C ATOM 11 CZ TYR A 1 12.542 -3.186 25.341 1.00 0.00 C ATOM 12 OH TYR A 1 13.812 -3.536 25.738 1.00 0.00 O ATOM 0 H1 TYR A 1 7.643 0.661 24.596 1.00 0.00 H new ATOM 0 H2 TYR A 1 6.914 0.534 23.067 1.00 0.00 H new ATOM 0 H3 TYR A 1 6.637 -0.661 24.242 1.00 0.00 H new ATOM 0 HA TYR A 1 9.419 -0.182 23.539 1.00 0.00 H new ATOM 0 HB2 TYR A 1 7.935 -2.046 24.978 1.00 0.00 H new ATOM 0 HB3 TYR A 1 8.180 -2.882 23.457 1.00 0.00 H new ATOM 0 HD1 TYR A 1 10.305 -0.697 25.669 1.00 0.00 H new ATOM 0 HD2 TYR A 1 9.977 -4.354 23.505 1.00 0.00 H new ATOM 0 HE1 TYR A 1 12.571 -1.320 26.380 1.00 0.00 H new ATOM 0 HE2 TYR A 1 12.242 -4.978 24.217 1.00 0.00 H new ATOM 0 HH TYR A 1 14.042 -4.412 25.365 1.00 0.00 H new ATOM 24 N GLY A 2 9.336 -1.810 21.329 1.00 0.00 N ATOM 25 CA GLY A 2 9.339 -2.106 19.909 1.00 0.00 C ATOM 26 C GLY A 2 8.175 -2.985 19.496 1.00 0.00 C ATOM 27 O GLY A 2 7.646 -3.747 20.307 1.00 0.00 O ATOM 0 H GLY A 2 10.076 -2.266 21.863 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.303 -1.173 19.347 1.00 0.00 H new ATOM 0 HA3 GLY A 2 10.274 -2.600 19.646 1.00 0.00 H new ATOM 31 N HIS A 3 7.775 -2.880 18.233 1.00 0.00 N ATOM 32 CA HIS A 3 6.666 -3.672 17.715 1.00 0.00 C ATOM 33 C HIS A 3 5.329 -3.120 18.200 1.00 0.00 C ATOM 34 O HIS A 3 5.282 -2.290 19.109 1.00 0.00 O ATOM 35 CB HIS A 3 6.811 -5.134 18.142 1.00 0.00 C ATOM 36 CG HIS A 3 6.792 -6.098 16.997 1.00 0.00 C ATOM 37 ND1 HIS A 3 5.757 -6.637 16.309 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 7.937 -6.617 16.429 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 6.291 -7.463 15.352 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 7.607 -7.432 15.444 1.00 0.00 N flip ATOM 0 H HIS A 3 8.202 -2.255 17.550 1.00 0.00 H new ATOM 0 HA HIS A 3 6.690 -3.614 16.627 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.746 -5.253 18.690 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.004 -5.384 18.830 1.00 0.00 H new ATOM 0 HD1 HIS A 3 4.765 -6.462 16.472 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.946 -6.392 16.741 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.726 -8.044 14.639 1.00 0.00 H new ATOM 49 N CYS A 4 4.246 -3.584 17.588 1.00 0.00 N ATOM 50 CA CYS A 4 2.908 -3.136 17.957 1.00 0.00 C ATOM 51 C CYS A 4 1.862 -4.185 17.591 1.00 0.00 C ATOM 52 O CYS A 4 1.502 -4.336 16.423 1.00 0.00 O ATOM 53 CB CYS A 4 2.582 -1.811 17.266 1.00 0.00 C ATOM 54 SG CYS A 4 3.991 -0.660 17.160 1.00 0.00 S ATOM 0 H CYS A 4 4.268 -4.270 16.834 1.00 0.00 H new ATOM 0 HA CYS A 4 2.887 -2.989 19.037 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.220 -2.018 16.259 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.768 -1.324 17.804 1.00 0.00 H new ATOM 59 N VAL A 5 1.379 -4.907 18.596 1.00 0.00 N ATOM 60 CA VAL A 5 0.376 -5.940 18.382 1.00 0.00 C ATOM 61 C VAL A 5 -0.998 -5.329 18.129 1.00 0.00 C ATOM 62 O VAL A 5 -1.463 -4.483 18.894 1.00 0.00 O ATOM 63 CB VAL A 5 0.286 -6.894 19.587 1.00 0.00 C ATOM 64 CG1 VAL A 5 1.332 -7.993 19.478 1.00 0.00 C ATOM 65 CG2 VAL A 5 0.441 -6.127 20.892 1.00 0.00 C ATOM 0 H VAL A 5 1.667 -4.795 19.568 1.00 0.00 H new ATOM 0 HA VAL A 5 0.687 -6.505 17.503 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.699 -7.360 19.583 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.253 -8.657 20.339 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.167 -8.563 18.563 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.327 -7.548 19.454 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.374 -6.819 21.731 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.411 -5.629 20.908 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.351 -5.382 20.973 1.00 0.00 H new ATOM 75 N THR A 6 -1.645 -5.762 17.053 1.00 0.00 N ATOM 76 CA THR A 6 -2.966 -5.258 16.699 1.00 0.00 C ATOM 77 C THR A 6 -3.893 -6.391 16.274 1.00 0.00 C ATOM 78 O THR A 6 -3.493 -7.556 16.248 1.00 0.00 O ATOM 79 CB THR A 6 -2.887 -4.222 15.562 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.205 -3.886 15.112 1.00 0.00 O ATOM 81 CG2 THR A 6 -2.070 -4.759 14.397 1.00 0.00 C ATOM 0 H THR A 6 -1.275 -6.462 16.410 1.00 0.00 H new ATOM 0 HA THR A 6 -3.369 -4.778 17.591 1.00 0.00 H new ATOM 0 HB THR A 6 -2.397 -3.328 15.948 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.146 -3.226 14.390 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.028 -4.010 13.606 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.059 -4.986 14.736 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.536 -5.666 14.013 1.00 0.00 H new ATOM 89 N ASP A 7 -5.132 -6.045 15.942 1.00 0.00 N ATOM 90 CA ASP A 7 -6.115 -7.034 15.519 1.00 0.00 C ATOM 91 C ASP A 7 -6.507 -7.943 16.679 1.00 0.00 C ATOM 92 O ASP A 7 -7.449 -7.653 17.417 1.00 0.00 O ATOM 93 CB ASP A 7 -5.562 -7.870 14.364 1.00 0.00 C ATOM 94 CG ASP A 7 -6.009 -7.355 13.010 1.00 0.00 C ATOM 95 OD1 ASP A 7 -5.743 -6.172 12.708 1.00 0.00 O ATOM 96 OD2 ASP A 7 -6.626 -8.134 12.252 1.00 0.00 O ATOM 0 H ASP A 7 -5.479 -5.086 15.958 1.00 0.00 H new ATOM 0 HA ASP A 7 -7.005 -6.504 15.181 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.473 -7.870 14.408 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.885 -8.904 14.481 1.00 0.00 H new ATOM 101 N SER A 8 -5.778 -9.043 16.834 1.00 0.00 N ATOM 102 CA SER A 8 -6.049 -9.995 17.905 1.00 0.00 C ATOM 103 C SER A 8 -4.759 -10.640 18.399 1.00 0.00 C ATOM 104 O SER A 8 -4.738 -11.818 18.755 1.00 0.00 O ATOM 105 CB SER A 8 -7.020 -11.074 17.423 1.00 0.00 C ATOM 106 OG SER A 8 -8.311 -10.883 17.976 1.00 0.00 O ATOM 0 H SER A 8 -4.995 -9.297 16.232 1.00 0.00 H new ATOM 0 HA SER A 8 -6.503 -9.452 18.734 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.080 -11.053 16.335 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.643 -12.058 17.703 1.00 0.00 H new ATOM 0 HG SER A 8 -8.913 -11.585 17.651 1.00 0.00 H new ATOM 112 N GLY A 9 -3.682 -9.860 18.417 1.00 0.00 N ATOM 113 CA GLY A 9 -2.402 -10.373 18.868 1.00 0.00 C ATOM 114 C GLY A 9 -1.359 -10.381 17.768 1.00 0.00 C ATOM 115 O GLY A 9 -0.293 -10.976 17.918 1.00 0.00 O ATOM 0 H GLY A 9 -3.674 -8.882 18.127 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.044 -9.766 19.699 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.534 -11.387 19.247 1.00 0.00 H new ATOM 119 N VAL A 10 -1.669 -9.719 16.658 1.00 0.00 N ATOM 120 CA VAL A 10 -0.752 -9.651 15.528 1.00 0.00 C ATOM 121 C VAL A 10 0.387 -8.673 15.801 1.00 0.00 C ATOM 122 O VAL A 10 0.218 -7.460 15.680 1.00 0.00 O ATOM 123 CB VAL A 10 -1.478 -9.226 14.238 1.00 0.00 C ATOM 124 CG1 VAL A 10 -0.659 -9.604 13.013 1.00 0.00 C ATOM 125 CG2 VAL A 10 -2.864 -9.850 14.176 1.00 0.00 C ATOM 0 H VAL A 10 -2.549 -9.222 16.518 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.344 -10.653 15.393 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.592 -8.142 14.248 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.189 -9.295 12.112 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.309 -9.104 13.054 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.509 -10.684 12.994 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.362 -9.539 13.258 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.775 -10.936 14.190 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.449 -9.523 15.035 1.00 0.00 H new ATOM 135 N VAL A 11 1.545 -9.210 16.171 1.00 0.00 N ATOM 136 CA VAL A 11 2.711 -8.384 16.462 1.00 0.00 C ATOM 137 C VAL A 11 3.383 -7.910 15.178 1.00 0.00 C ATOM 138 O VAL A 11 4.068 -8.679 14.503 1.00 0.00 O ATOM 139 CB VAL A 11 3.743 -9.148 17.314 1.00 0.00 C ATOM 140 CG1 VAL A 11 4.462 -8.198 18.259 1.00 0.00 C ATOM 141 CG2 VAL A 11 3.070 -10.272 18.087 1.00 0.00 C ATOM 0 H VAL A 11 1.701 -10.212 16.276 1.00 0.00 H new ATOM 0 HA VAL A 11 2.354 -7.521 17.024 1.00 0.00 H new ATOM 0 HB VAL A 11 4.483 -9.590 16.647 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.187 -8.755 18.853 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.978 -7.432 17.681 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.737 -7.726 18.922 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.814 -10.800 18.683 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.308 -9.855 18.745 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.605 -10.967 17.388 1.00 0.00 H new ATOM 151 N TYR A 12 3.181 -6.640 14.844 1.00 0.00 N ATOM 152 CA TYR A 12 3.767 -6.063 13.640 1.00 0.00 C ATOM 153 C TYR A 12 5.015 -5.254 13.976 1.00 0.00 C ATOM 154 O TYR A 12 4.993 -4.398 14.861 1.00 0.00 O ATOM 155 CB TYR A 12 2.747 -5.174 12.926 1.00 0.00 C ATOM 156 CG TYR A 12 1.587 -5.940 12.329 1.00 0.00 C ATOM 157 CD1 TYR A 12 1.783 -6.836 11.287 1.00 0.00 C ATOM 158 CD2 TYR A 12 0.295 -5.765 12.810 1.00 0.00 C ATOM 159 CE1 TYR A 12 0.726 -7.536 10.738 1.00 0.00 C ATOM 160 CE2 TYR A 12 -0.768 -6.463 12.267 1.00 0.00 C ATOM 161 CZ TYR A 12 -0.547 -7.346 11.232 1.00 0.00 C ATOM 162 OH TYR A 12 -1.602 -8.043 10.690 1.00 0.00 O ATOM 0 H TYR A 12 2.616 -5.990 15.391 1.00 0.00 H new ATOM 0 HA TYR A 12 4.053 -6.881 12.978 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.361 -4.439 13.632 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.252 -4.620 12.134 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.779 -6.989 10.899 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.118 -5.073 13.620 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.896 -8.228 9.926 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.766 -6.317 12.652 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.572 -7.975 9.713 1.00 0.00 H new ATOM 172 N SER A 13 6.103 -5.531 13.263 1.00 0.00 N ATOM 173 CA SER A 13 7.361 -4.828 13.486 1.00 0.00 C ATOM 174 C SER A 13 7.266 -3.381 13.010 1.00 0.00 C ATOM 175 O SER A 13 6.397 -3.036 12.211 1.00 0.00 O ATOM 176 CB SER A 13 8.504 -5.542 12.761 1.00 0.00 C ATOM 177 OG SER A 13 8.467 -6.938 13.001 1.00 0.00 O ATOM 0 H SER A 13 6.138 -6.236 12.527 1.00 0.00 H new ATOM 0 HA SER A 13 7.564 -4.827 14.557 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.434 -5.352 11.690 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.460 -5.138 13.095 1.00 0.00 H new ATOM 0 HG SER A 13 8.416 -7.103 13.966 1.00 0.00 H new ATOM 183 N VAL A 14 8.167 -2.541 13.509 1.00 0.00 N ATOM 184 CA VAL A 14 8.186 -1.135 13.138 1.00 0.00 C ATOM 185 C VAL A 14 8.167 -0.962 11.625 1.00 0.00 C ATOM 186 O VAL A 14 8.302 -1.932 10.878 1.00 0.00 O ATOM 187 CB VAL A 14 9.426 -0.430 13.713 1.00 0.00 C ATOM 188 CG1 VAL A 14 9.619 -0.812 15.169 1.00 0.00 C ATOM 189 CG2 VAL A 14 10.663 -0.765 12.895 1.00 0.00 C ATOM 0 H VAL A 14 8.893 -2.812 14.172 1.00 0.00 H new ATOM 0 HA VAL A 14 7.288 -0.681 13.557 1.00 0.00 H new ATOM 0 HB VAL A 14 9.270 0.647 13.658 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.500 -0.306 15.564 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.742 -0.514 15.743 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.754 -1.891 15.247 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.528 -0.256 13.319 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.831 -1.842 12.913 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.518 -0.438 11.865 1.00 0.00 H new ATOM 199 N GLY A 15 7.992 0.277 11.177 1.00 0.00 N ATOM 200 CA GLY A 15 7.952 0.547 9.753 1.00 0.00 C ATOM 201 C GLY A 15 7.224 -0.537 8.985 1.00 0.00 C ATOM 202 O GLY A 15 7.517 -0.782 7.815 1.00 0.00 O ATOM 0 H GLY A 15 7.878 1.096 11.773 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.461 1.505 9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.970 0.638 9.373 1.00 0.00 H new ATOM 206 N MET A 16 6.271 -1.189 9.646 1.00 0.00 N ATOM 207 CA MET A 16 5.500 -2.255 9.016 1.00 0.00 C ATOM 208 C MET A 16 4.011 -1.927 9.013 1.00 0.00 C ATOM 209 O MET A 16 3.392 -1.795 10.068 1.00 0.00 O ATOM 210 CB MET A 16 5.737 -3.583 9.740 1.00 0.00 C ATOM 211 CG MET A 16 5.400 -4.802 8.898 1.00 0.00 C ATOM 212 SD MET A 16 5.080 -6.269 9.895 1.00 0.00 S ATOM 213 CE MET A 16 6.475 -7.296 9.438 1.00 0.00 C ATOM 0 H MET A 16 6.015 -0.998 10.615 1.00 0.00 H new ATOM 0 HA MET A 16 5.836 -2.345 7.983 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.782 -3.640 10.045 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.138 -3.603 10.650 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.524 -4.585 8.286 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.224 -5.005 8.214 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.121 -8.164 8.882 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.161 -6.722 8.815 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.993 -7.627 10.338 1.00 0.00 H new ATOM 223 N GLN A 17 3.443 -1.796 7.819 1.00 0.00 N ATOM 224 CA GLN A 17 2.027 -1.483 7.676 1.00 0.00 C ATOM 225 C GLN A 17 1.193 -2.757 7.593 1.00 0.00 C ATOM 226 O GLN A 17 1.724 -3.846 7.374 1.00 0.00 O ATOM 227 CB GLN A 17 1.794 -0.627 6.430 1.00 0.00 C ATOM 228 CG GLN A 17 3.032 0.120 5.963 1.00 0.00 C ATOM 229 CD GLN A 17 3.647 -0.489 4.718 1.00 0.00 C ATOM 230 OE1 GLN A 17 3.985 -1.673 4.694 1.00 0.00 O ATOM 231 NE2 GLN A 17 3.796 0.319 3.675 1.00 0.00 N ATOM 0 H GLN A 17 3.942 -1.902 6.936 1.00 0.00 H new ATOM 0 HA GLN A 17 1.716 -0.922 8.557 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.440 -1.266 5.622 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.002 0.093 6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.771 1.159 5.763 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.772 0.125 6.763 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.502 1.294 3.739 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.204 -0.035 2.810 1.00 0.00 H new ATOM 240 N TRP A 18 -0.117 -2.611 7.766 1.00 0.00 N ATOM 241 CA TRP A 18 -1.026 -3.749 7.708 1.00 0.00 C ATOM 242 C TRP A 18 -2.455 -3.287 7.442 1.00 0.00 C ATOM 243 O TRP A 18 -3.010 -2.487 8.195 1.00 0.00 O ATOM 244 CB TRP A 18 -0.966 -4.546 9.013 1.00 0.00 C ATOM 245 CG TRP A 18 -1.563 -3.825 10.183 1.00 0.00 C ATOM 246 CD1 TRP A 18 -2.887 -3.730 10.499 1.00 0.00 C ATOM 247 CD2 TRP A 18 -0.854 -3.101 11.195 1.00 0.00 C ATOM 248 NE1 TRP A 18 -3.046 -2.991 11.647 1.00 0.00 N ATOM 249 CE2 TRP A 18 -1.813 -2.594 12.094 1.00 0.00 C ATOM 250 CE3 TRP A 18 0.497 -2.831 11.430 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -1.461 -1.835 13.207 1.00 0.00 C ATOM 252 CZ3 TRP A 18 0.844 -2.078 12.536 1.00 0.00 C ATOM 253 CH2 TRP A 18 -0.132 -1.589 13.413 1.00 0.00 C ATOM 0 H TRP A 18 -0.572 -1.716 7.947 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.712 -4.393 6.886 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.488 -5.493 8.875 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.074 -4.785 9.236 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.692 -4.171 9.930 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.937 -2.773 12.094 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.257 -3.204 10.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.211 -1.454 13.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.885 -1.863 12.727 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.171 -1.006 14.270 1.00 0.00 H new ATOM 264 N LEU A 19 -3.043 -3.796 6.365 1.00 0.00 N ATOM 265 CA LEU A 19 -4.407 -3.434 5.995 1.00 0.00 C ATOM 266 C LEU A 19 -5.391 -3.818 7.094 1.00 0.00 C ATOM 267 O LEU A 19 -5.482 -4.983 7.483 1.00 0.00 O ATOM 268 CB LEU A 19 -4.799 -4.113 4.682 1.00 0.00 C ATOM 269 CG LEU A 19 -4.901 -3.178 3.476 1.00 0.00 C ATOM 270 CD1 LEU A 19 -5.660 -3.851 2.342 1.00 0.00 C ATOM 271 CD2 LEU A 19 -5.573 -1.871 3.869 1.00 0.00 C ATOM 0 H LEU A 19 -2.597 -4.460 5.733 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.445 -2.353 5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.067 -4.890 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.759 -4.610 4.820 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.893 -2.954 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.723 -3.171 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.137 -4.759 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.665 -4.106 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.637 -1.218 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.576 -2.076 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.988 -1.381 4.648 1.00 0.00 H new ATOM 283 N LYS A 20 -6.130 -2.830 7.588 1.00 0.00 N ATOM 284 CA LYS A 20 -7.112 -3.061 8.642 1.00 0.00 C ATOM 285 C LYS A 20 -8.325 -2.155 8.455 1.00 0.00 C ATOM 286 O LYS A 20 -8.205 -0.930 8.470 1.00 0.00 O ATOM 287 CB LYS A 20 -6.486 -2.818 10.016 1.00 0.00 C ATOM 288 CG LYS A 20 -5.573 -1.604 10.063 1.00 0.00 C ATOM 289 CD LYS A 20 -6.278 -0.399 10.664 1.00 0.00 C ATOM 290 CE LYS A 20 -6.343 -0.491 12.180 1.00 0.00 C ATOM 291 NZ LYS A 20 -6.624 0.830 12.806 1.00 0.00 N ATOM 0 H LYS A 20 -6.068 -1.861 7.275 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.439 -4.099 8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.281 -2.693 10.751 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.918 -3.701 10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.685 -1.838 10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.234 -1.363 9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.753 0.512 10.376 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.287 -0.327 10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.119 -1.201 12.467 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.398 -0.879 12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.744 0.709 13.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.830 1.476 12.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.495 1.228 12.400 1.00 0.00 H new ATOM 305 N THR A 21 -9.492 -2.764 8.276 1.00 0.00 N ATOM 306 CA THR A 21 -10.722 -2.007 8.084 1.00 0.00 C ATOM 307 C THR A 21 -11.314 -1.563 9.415 1.00 0.00 C ATOM 308 O THR A 21 -12.148 -2.257 9.997 1.00 0.00 O ATOM 309 CB THR A 21 -11.780 -2.826 7.322 1.00 0.00 C ATOM 310 OG1 THR A 21 -11.144 -3.710 6.393 1.00 0.00 O ATOM 311 CG2 THR A 21 -12.743 -1.910 6.582 1.00 0.00 C ATOM 0 H THR A 21 -9.611 -3.777 8.260 1.00 0.00 H new ATOM 0 HA THR A 21 -10.455 -1.130 7.494 1.00 0.00 H new ATOM 0 HB THR A 21 -12.345 -3.411 8.048 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.825 -4.227 5.915 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.481 -2.511 6.051 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.249 -1.261 7.296 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.189 -1.301 5.868 1.00 0.00 H new ATOM 319 N GLN A 22 -10.891 -0.397 9.888 1.00 0.00 N ATOM 320 CA GLN A 22 -11.396 0.141 11.143 1.00 0.00 C ATOM 321 C GLN A 22 -12.807 0.672 10.940 1.00 0.00 C ATOM 322 O GLN A 22 -13.058 1.443 10.014 1.00 0.00 O ATOM 323 CB GLN A 22 -10.484 1.258 11.652 1.00 0.00 C ATOM 324 CG GLN A 22 -10.510 1.421 13.164 1.00 0.00 C ATOM 325 CD GLN A 22 -9.841 0.269 13.887 1.00 0.00 C ATOM 326 OE1 GLN A 22 -10.031 -0.895 13.533 1.00 0.00 O ATOM 327 NE2 GLN A 22 -9.051 0.588 14.906 1.00 0.00 N ATOM 0 H GLN A 22 -10.201 0.192 9.422 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.414 -0.656 11.887 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.461 1.055 11.334 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.781 2.199 11.188 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.012 2.352 13.434 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.544 1.504 13.499 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.922 1.566 15.165 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.573 -0.145 15.430 1.00 0.00 H new ATOM 336 N GLY A 23 -13.733 0.252 11.793 1.00 0.00 N ATOM 337 CA GLY A 23 -15.097 0.703 11.652 1.00 0.00 C ATOM 338 C GLY A 23 -15.746 0.144 10.413 1.00 0.00 C ATOM 339 O GLY A 23 -15.576 -1.027 10.075 1.00 0.00 O ATOM 0 H GLY A 23 -13.563 -0.386 12.571 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.671 0.404 12.529 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.118 1.792 11.613 1.00 0.00 H new ATOM 343 N ASN A 24 -16.484 0.995 9.738 1.00 0.00 N ATOM 344 CA ASN A 24 -17.172 0.615 8.513 1.00 0.00 C ATOM 345 C ASN A 24 -16.442 1.182 7.301 1.00 0.00 C ATOM 346 O ASN A 24 -17.054 1.497 6.280 1.00 0.00 O ATOM 347 CB ASN A 24 -18.618 1.116 8.535 1.00 0.00 C ATOM 348 CG ASN A 24 -19.609 0.041 8.133 1.00 0.00 C ATOM 349 OD1 ASN A 24 -19.345 -0.759 7.235 1.00 0.00 O ATOM 350 ND2 ASN A 24 -20.758 0.018 8.797 1.00 0.00 N ATOM 0 H ASN A 24 -16.628 1.966 10.016 1.00 0.00 H new ATOM 0 HA ASN A 24 -17.180 -0.473 8.444 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -18.860 1.474 9.536 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -18.715 1.966 7.860 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.464 -0.682 8.570 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.935 0.700 9.534 1.00 0.00 H new ATOM 357 N LYS A 25 -15.123 1.304 7.426 1.00 0.00 N ATOM 358 CA LYS A 25 -14.294 1.830 6.348 1.00 0.00 C ATOM 359 C LYS A 25 -12.899 1.214 6.385 1.00 0.00 C ATOM 360 O LYS A 25 -12.533 0.539 7.348 1.00 0.00 O ATOM 361 CB LYS A 25 -14.192 3.353 6.452 1.00 0.00 C ATOM 362 CG LYS A 25 -15.506 4.029 6.810 1.00 0.00 C ATOM 363 CD LYS A 25 -16.436 4.107 5.611 1.00 0.00 C ATOM 364 CE LYS A 25 -17.855 4.459 6.029 1.00 0.00 C ATOM 365 NZ LYS A 25 -18.676 4.918 4.875 1.00 0.00 N ATOM 0 H LYS A 25 -14.605 1.045 8.266 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.764 1.567 5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.445 3.608 7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.836 3.750 5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.993 3.478 7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.309 5.033 7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.066 4.855 4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -16.436 3.151 5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -18.325 3.588 6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -17.827 5.241 6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -19.636 5.148 5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -18.241 5.764 4.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -18.725 4.163 4.162 1.00 0.00 H new ATOM 379 N GLN A 26 -12.124 1.449 5.331 1.00 0.00 N ATOM 380 CA GLN A 26 -10.769 0.915 5.244 1.00 0.00 C ATOM 381 C GLN A 26 -9.763 1.873 5.874 1.00 0.00 C ATOM 382 O GLN A 26 -9.889 3.091 5.750 1.00 0.00 O ATOM 383 CB GLN A 26 -10.394 0.654 3.783 1.00 0.00 C ATOM 384 CG GLN A 26 -9.757 -0.708 3.553 1.00 0.00 C ATOM 385 CD GLN A 26 -10.729 -1.714 2.968 1.00 0.00 C ATOM 386 OE1 GLN A 26 -11.936 -1.475 2.923 1.00 0.00 O ATOM 387 NE2 GLN A 26 -10.206 -2.847 2.515 1.00 0.00 N ATOM 0 H GLN A 26 -12.411 2.005 4.526 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.741 -0.026 5.794 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.289 0.736 3.166 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.705 1.430 3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.905 -0.598 2.882 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.371 -1.089 4.498 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.200 -3.003 2.572 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.811 -3.562 2.110 1.00 0.00 H new ATOM 396 N MET A 27 -8.765 1.314 6.552 1.00 0.00 N ATOM 397 CA MET A 27 -7.738 2.120 7.202 1.00 0.00 C ATOM 398 C MET A 27 -6.408 1.373 7.251 1.00 0.00 C ATOM 399 O MET A 27 -6.320 0.279 7.807 1.00 0.00 O ATOM 400 CB MET A 27 -8.176 2.494 8.619 1.00 0.00 C ATOM 401 CG MET A 27 -8.789 3.882 8.718 1.00 0.00 C ATOM 402 SD MET A 27 -8.062 4.870 10.040 1.00 0.00 S ATOM 403 CE MET A 27 -6.602 5.508 9.222 1.00 0.00 C ATOM 0 H MET A 27 -8.646 0.307 6.665 1.00 0.00 H new ATOM 0 HA MET A 27 -7.602 3.030 6.617 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.900 1.760 8.973 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.314 2.438 9.284 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.659 4.401 7.768 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.862 3.790 8.887 1.00 0.00 H new ATOM 0 HE1 MET A 27 -5.743 5.415 9.886 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.419 4.940 8.310 1.00 0.00 H new ATOM 0 HE3 MET A 27 -6.755 6.558 8.972 1.00 0.00 H new ATOM 413 N LEU A 28 -5.375 1.973 6.668 1.00 0.00 N ATOM 414 CA LEU A 28 -4.050 1.365 6.648 1.00 0.00 C ATOM 415 C LEU A 28 -3.265 1.739 7.902 1.00 0.00 C ATOM 416 O LEU A 28 -3.051 2.918 8.183 1.00 0.00 O ATOM 417 CB LEU A 28 -3.282 1.806 5.401 1.00 0.00 C ATOM 418 CG LEU A 28 -1.944 1.098 5.181 1.00 0.00 C ATOM 419 CD1 LEU A 28 -1.973 0.291 3.892 1.00 0.00 C ATOM 420 CD2 LEU A 28 -0.805 2.106 5.156 1.00 0.00 C ATOM 0 H LEU A 28 -5.430 2.879 6.203 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.173 0.282 6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.912 1.640 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.102 2.879 5.464 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.777 0.412 6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.013 -0.206 3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.764 -0.457 3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.163 0.957 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.139 1.584 4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.966 2.817 4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.771 2.640 6.106 1.00 0.00 H new ATOM 432 N CYS A 29 -2.840 0.728 8.654 1.00 0.00 N ATOM 433 CA CYS A 29 -2.082 0.955 9.879 1.00 0.00 C ATOM 434 C CYS A 29 -0.642 0.477 9.729 1.00 0.00 C ATOM 435 O CYS A 29 -0.313 -0.258 8.798 1.00 0.00 O ATOM 436 CB CYS A 29 -2.750 0.240 11.055 1.00 0.00 C ATOM 437 SG CYS A 29 -3.942 1.269 11.971 1.00 0.00 S ATOM 0 H CYS A 29 -3.007 -0.254 8.437 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.068 2.027 10.073 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.263 -0.647 10.683 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.978 -0.103 11.744 1.00 0.00 H new ATOM 442 N THR A 30 0.214 0.899 10.655 1.00 0.00 N ATOM 443 CA THR A 30 1.620 0.517 10.631 1.00 0.00 C ATOM 444 C THR A 30 2.270 0.735 11.992 1.00 0.00 C ATOM 445 O THR A 30 1.946 1.687 12.701 1.00 0.00 O ATOM 446 CB THR A 30 2.406 1.317 9.576 1.00 0.00 C ATOM 447 OG1 THR A 30 1.805 1.155 8.285 1.00 0.00 O ATOM 448 CG2 THR A 30 3.858 0.868 9.526 1.00 0.00 C ATOM 0 H THR A 30 -0.043 1.507 11.433 1.00 0.00 H new ATOM 0 HA THR A 30 1.652 -0.542 10.374 1.00 0.00 H new ATOM 0 HB THR A 30 2.378 2.370 9.858 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.956 1.962 7.750 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.392 1.448 8.773 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.321 1.024 10.500 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.903 -0.190 9.268 1.00 0.00 H new ATOM 456 N CYS A 31 3.194 -0.150 12.348 1.00 0.00 N ATOM 457 CA CYS A 31 3.895 -0.051 13.622 1.00 0.00 C ATOM 458 C CYS A 31 5.244 0.634 13.437 1.00 0.00 C ATOM 459 O CYS A 31 5.920 0.431 12.429 1.00 0.00 O ATOM 460 CB CYS A 31 4.093 -1.440 14.230 1.00 0.00 C ATOM 461 SG CYS A 31 5.160 -1.461 15.706 1.00 0.00 S ATOM 0 H CYS A 31 3.475 -0.944 11.772 1.00 0.00 H new ATOM 0 HA CYS A 31 3.289 0.548 14.302 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.119 -1.852 14.493 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.523 -2.097 13.475 1.00 0.00 H new ATOM 466 N LEU A 32 5.630 1.449 14.413 1.00 0.00 N ATOM 467 CA LEU A 32 6.898 2.164 14.352 1.00 0.00 C ATOM 468 C LEU A 32 7.502 2.324 15.744 1.00 0.00 C ATOM 469 O LEU A 32 8.257 3.262 16.000 1.00 0.00 O ATOM 470 CB LEU A 32 6.701 3.538 13.709 1.00 0.00 C ATOM 471 CG LEU A 32 6.072 3.516 12.313 1.00 0.00 C ATOM 472 CD1 LEU A 32 4.706 4.183 12.333 1.00 0.00 C ATOM 473 CD2 LEU A 32 6.987 4.197 11.307 1.00 0.00 C ATOM 0 H LEU A 32 5.083 1.630 15.255 1.00 0.00 H new ATOM 0 HA LEU A 32 7.587 1.579 13.742 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.073 4.142 14.364 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.669 4.035 13.647 1.00 0.00 H new ATOM 0 HG LEU A 32 5.941 2.477 12.009 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.274 4.158 11.332 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.052 3.652 13.024 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.811 5.218 12.657 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.525 4.173 10.320 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.150 5.232 11.606 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.943 3.675 11.273 1.00 0.00 H new ATOM 485 N GLY A 33 7.167 1.400 16.638 1.00 0.00 N ATOM 486 CA GLY A 33 7.687 1.454 17.992 1.00 0.00 C ATOM 487 C GLY A 33 7.030 2.538 18.824 1.00 0.00 C ATOM 488 O GLY A 33 6.507 2.268 19.906 1.00 0.00 O ATOM 0 H GLY A 33 6.544 0.614 16.449 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.536 0.488 18.475 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.762 1.628 17.958 1.00 0.00 H new ATOM 492 N ASN A 34 7.059 3.768 18.322 1.00 0.00 N ATOM 493 CA ASN A 34 6.464 4.897 19.028 1.00 0.00 C ATOM 494 C ASN A 34 4.940 4.864 18.932 1.00 0.00 C ATOM 495 O ASN A 34 4.257 5.721 19.491 1.00 0.00 O ATOM 496 CB ASN A 34 6.992 6.215 18.461 1.00 0.00 C ATOM 497 CG ASN A 34 6.491 7.420 19.233 1.00 0.00 C ATOM 498 OD1 ASN A 34 5.735 8.237 18.709 1.00 0.00 O ATOM 499 ND2 ASN A 34 6.910 7.534 20.488 1.00 0.00 N ATOM 0 H ASN A 34 7.488 4.009 17.429 1.00 0.00 H new ATOM 0 HA ASN A 34 6.744 4.821 20.079 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.082 6.204 18.478 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.690 6.305 17.417 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.605 8.323 21.058 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.537 6.833 20.882 1.00 0.00 H new ATOM 506 N GLY A 35 4.415 3.870 18.221 1.00 0.00 N ATOM 507 CA GLY A 35 2.977 3.750 18.068 1.00 0.00 C ATOM 508 C GLY A 35 2.582 3.168 16.725 1.00 0.00 C ATOM 509 O GLY A 35 3.441 2.795 15.925 1.00 0.00 O ATOM 0 H GLY A 35 4.959 3.147 17.749 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.582 3.119 18.864 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.519 4.733 18.183 1.00 0.00 H new ATOM 513 N VAL A 36 1.280 3.089 16.477 1.00 0.00 N ATOM 514 CA VAL A 36 0.772 2.548 15.222 1.00 0.00 C ATOM 515 C VAL A 36 0.310 3.663 14.289 1.00 0.00 C ATOM 516 O VAL A 36 -0.748 4.259 14.493 1.00 0.00 O ATOM 517 CB VAL A 36 -0.401 1.579 15.461 1.00 0.00 C ATOM 518 CG1 VAL A 36 -1.074 1.220 14.144 1.00 0.00 C ATOM 519 CG2 VAL A 36 0.077 0.329 16.183 1.00 0.00 C ATOM 0 H VAL A 36 0.557 3.393 17.129 1.00 0.00 H new ATOM 0 HA VAL A 36 1.595 2.005 14.757 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.136 2.076 16.094 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.900 0.535 14.333 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.454 2.125 13.671 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.350 0.742 13.484 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.766 -0.344 16.343 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.833 -0.173 15.579 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.507 0.607 17.145 1.00 0.00 H new ATOM 529 N SER A 37 1.110 3.941 13.265 1.00 0.00 N ATOM 530 CA SER A 37 0.783 4.984 12.301 1.00 0.00 C ATOM 531 C SER A 37 -0.256 4.490 11.298 1.00 0.00 C ATOM 532 O SER A 37 0.020 3.604 10.490 1.00 0.00 O ATOM 533 CB SER A 37 2.043 5.441 11.563 1.00 0.00 C ATOM 534 OG SER A 37 2.461 4.473 10.618 1.00 0.00 O ATOM 0 H SER A 37 1.990 3.458 13.082 1.00 0.00 H new ATOM 0 HA SER A 37 0.364 5.829 12.847 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.849 6.387 11.057 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.843 5.622 12.281 1.00 0.00 H new ATOM 0 HG SER A 37 1.675 4.070 10.193 1.00 0.00 H new ATOM 540 N CYS A 38 -1.451 5.067 11.358 1.00 0.00 N ATOM 541 CA CYS A 38 -2.531 4.684 10.456 1.00 0.00 C ATOM 542 C CYS A 38 -2.925 5.846 9.551 1.00 0.00 C ATOM 543 O CYS A 38 -2.766 7.012 9.913 1.00 0.00 O ATOM 544 CB CYS A 38 -3.747 4.210 11.255 1.00 0.00 C ATOM 545 SG CYS A 38 -4.502 2.678 10.621 1.00 0.00 S ATOM 0 H CYS A 38 -1.696 5.802 12.022 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.174 3.866 9.830 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.449 4.053 12.292 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.498 5.000 11.255 1.00 0.00 H new ATOM 550 N GLN A 39 -3.438 5.520 8.369 1.00 0.00 N ATOM 551 CA GLN A 39 -3.855 6.535 7.409 1.00 0.00 C ATOM 552 C GLN A 39 -5.150 6.128 6.714 1.00 0.00 C ATOM 553 O GLN A 39 -5.199 5.116 6.013 1.00 0.00 O ATOM 554 CB GLN A 39 -2.756 6.768 6.371 1.00 0.00 C ATOM 555 CG GLN A 39 -2.591 8.227 5.975 1.00 0.00 C ATOM 556 CD GLN A 39 -1.302 8.484 5.220 1.00 0.00 C ATOM 557 OE1 GLN A 39 -0.364 7.689 5.281 1.00 0.00 O ATOM 558 NE2 GLN A 39 -1.250 9.601 4.504 1.00 0.00 N ATOM 0 H GLN A 39 -3.575 4.560 8.053 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.033 7.462 7.953 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.810 6.399 6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.979 6.181 5.480 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.436 8.530 5.357 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.613 8.847 6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.052 10.231 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.408 9.829 3.975 1.00 0.00 H new ATOM 567 N GLU A 40 -6.197 6.921 6.913 1.00 0.00 N ATOM 568 CA GLU A 40 -7.494 6.643 6.305 1.00 0.00 C ATOM 569 C GLU A 40 -7.375 6.544 4.788 1.00 0.00 C ATOM 570 O GLU A 40 -6.272 6.521 4.242 1.00 0.00 O ATOM 571 CB GLU A 40 -8.500 7.733 6.679 1.00 0.00 C ATOM 572 CG GLU A 40 -9.724 7.207 7.412 1.00 0.00 C ATOM 573 CD GLU A 40 -10.985 7.971 7.064 1.00 0.00 C ATOM 574 OE1 GLU A 40 -11.607 7.653 6.029 1.00 0.00 O ATOM 575 OE2 GLU A 40 -11.352 8.890 7.827 1.00 0.00 O ATOM 0 H GLU A 40 -6.173 7.761 7.490 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.847 5.685 6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.003 8.475 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.822 8.245 5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.863 6.154 7.169 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.553 7.266 8.487 1.00 0.00 H new ATOM 582 N THR A 41 -8.518 6.486 4.114 1.00 0.00 N ATOM 583 CA THR A 41 -8.543 6.389 2.659 1.00 0.00 C ATOM 584 C THR A 41 -7.409 7.194 2.034 1.00 0.00 C ATOM 585 O THR A 41 -6.889 6.834 0.978 1.00 0.00 O ATOM 586 CB THR A 41 -9.884 6.885 2.086 1.00 0.00 C ATOM 587 OG1 THR A 41 -10.957 6.518 2.961 1.00 0.00 O ATOM 588 CG2 THR A 41 -10.130 6.302 0.703 1.00 0.00 C ATOM 0 H THR A 41 -9.439 6.504 4.551 1.00 0.00 H new ATOM 0 HA THR A 41 -8.417 5.335 2.411 1.00 0.00 H new ATOM 0 HB THR A 41 -9.839 7.971 2.003 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.806 6.839 2.590 1.00 0.00 H new ATOM 0 HG21 THR A 41 -11.083 6.666 0.319 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.327 6.607 0.032 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.156 5.214 0.766 1.00 0.00 H new ATOM 596 N ALA A 42 -7.030 8.284 2.694 1.00 0.00 N ATOM 597 CA ALA A 42 -5.956 9.139 2.202 1.00 0.00 C ATOM 598 C ALA A 42 -4.860 8.317 1.534 1.00 0.00 C ATOM 599 O ALA A 42 -3.994 7.756 2.205 1.00 0.00 O ATOM 600 CB ALA A 42 -5.377 9.965 3.342 1.00 0.00 C ATOM 0 H ALA A 42 -7.450 8.596 3.570 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.375 9.812 1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.576 10.599 2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.160 10.589 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.980 9.299 4.108 1.00 0.00 H new ATOM 606 N VAL A 43 -4.905 8.248 0.207 1.00 0.00 N ATOM 607 CA VAL A 43 -3.917 7.495 -0.553 1.00 0.00 C ATOM 608 C VAL A 43 -3.080 8.416 -1.433 1.00 0.00 C ATOM 609 O VAL A 43 -3.387 9.599 -1.578 1.00 0.00 O ATOM 610 CB VAL A 43 -4.583 6.425 -1.438 1.00 0.00 C ATOM 611 CG1 VAL A 43 -5.215 7.065 -2.665 1.00 0.00 C ATOM 612 CG2 VAL A 43 -3.576 5.359 -1.841 1.00 0.00 C ATOM 0 H VAL A 43 -5.616 8.705 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.270 7.003 0.173 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.372 5.943 -0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.681 6.294 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.971 7.785 -2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.447 7.576 -3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.067 4.613 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.761 5.820 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.177 4.879 -0.947 1.00 0.00 H new ATOM 622 N THR A 44 -2.022 7.867 -2.019 1.00 0.00 N ATOM 623 CA THR A 44 -1.140 8.641 -2.886 1.00 0.00 C ATOM 624 C THR A 44 -0.368 9.688 -2.091 1.00 0.00 C ATOM 625 O THR A 44 -0.476 9.757 -0.867 1.00 0.00 O ATOM 626 CB THR A 44 -1.928 9.342 -4.007 1.00 0.00 C ATOM 627 OG1 THR A 44 -3.313 8.983 -3.933 1.00 0.00 O ATOM 628 CG2 THR A 44 -1.376 8.967 -5.374 1.00 0.00 C ATOM 0 H THR A 44 -1.754 6.889 -1.910 1.00 0.00 H new ATOM 0 HA THR A 44 -0.438 7.937 -3.332 1.00 0.00 H new ATOM 0 HB THR A 44 -1.824 10.419 -3.873 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.782 9.608 -3.342 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.949 9.475 -6.150 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.331 9.268 -5.439 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.452 7.889 -5.514 1.00 0.00 H new ATOM 636 N GLN A 45 0.413 10.501 -2.795 1.00 0.00 N ATOM 637 CA GLN A 45 1.204 11.545 -2.155 1.00 0.00 C ATOM 638 C GLN A 45 2.139 12.211 -3.158 1.00 0.00 C ATOM 639 O GLN A 45 3.314 11.857 -3.257 1.00 0.00 O ATOM 640 CB GLN A 45 2.012 10.963 -0.995 1.00 0.00 C ATOM 641 CG GLN A 45 1.539 11.430 0.372 1.00 0.00 C ATOM 642 CD GLN A 45 2.180 10.656 1.507 1.00 0.00 C ATOM 643 OE1 GLN A 45 3.157 11.105 2.106 1.00 0.00 O ATOM 644 NE2 GLN A 45 1.633 9.485 1.809 1.00 0.00 N ATOM 0 H GLN A 45 0.515 10.457 -3.809 1.00 0.00 H new ATOM 0 HA GLN A 45 0.519 12.299 -1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.959 9.875 -1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.060 11.236 -1.120 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.764 12.490 0.488 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.456 11.326 0.433 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.823 9.150 1.287 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.022 8.920 2.564 1.00 0.00 H new ATOM 653 N THR A 46 1.610 13.179 -3.901 1.00 0.00 N ATOM 654 CA THR A 46 2.399 13.895 -4.897 1.00 0.00 C ATOM 655 C THR A 46 3.834 14.091 -4.425 1.00 0.00 C ATOM 656 O THR A 46 4.077 14.664 -3.363 1.00 0.00 O ATOM 657 CB THR A 46 1.784 15.270 -5.216 1.00 0.00 C ATOM 658 OG1 THR A 46 1.304 15.884 -4.014 1.00 0.00 O ATOM 659 CG2 THR A 46 0.642 15.134 -6.212 1.00 0.00 C ATOM 0 H THR A 46 0.639 13.485 -3.832 1.00 0.00 H new ATOM 0 HA THR A 46 2.397 13.285 -5.800 1.00 0.00 H new ATOM 0 HB THR A 46 2.559 15.896 -5.658 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.932 16.766 -4.223 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.223 16.118 -6.422 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.016 14.694 -7.136 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.133 14.492 -5.792 1.00 0.00 H new ATOM 667 N TYR A 47 4.785 13.613 -5.221 1.00 0.00 N ATOM 668 CA TYR A 47 6.198 13.737 -4.886 1.00 0.00 C ATOM 669 C TYR A 47 7.014 14.140 -6.109 1.00 0.00 C ATOM 670 O TYR A 47 6.644 13.833 -7.244 1.00 0.00 O ATOM 671 CB TYR A 47 6.726 12.419 -4.316 1.00 0.00 C ATOM 672 CG TYR A 47 6.513 11.233 -5.229 1.00 0.00 C ATOM 673 CD1 TYR A 47 7.362 10.998 -6.303 1.00 0.00 C ATOM 674 CD2 TYR A 47 5.463 10.348 -5.016 1.00 0.00 C ATOM 675 CE1 TYR A 47 7.171 9.915 -7.140 1.00 0.00 C ATOM 676 CE2 TYR A 47 5.266 9.262 -5.850 1.00 0.00 C ATOM 677 CZ TYR A 47 6.122 9.051 -6.909 1.00 0.00 C ATOM 678 OH TYR A 47 5.929 7.971 -7.740 1.00 0.00 O ATOM 0 H TYR A 47 4.602 13.136 -6.104 1.00 0.00 H new ATOM 0 HA TYR A 47 6.300 14.517 -4.132 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.792 12.523 -4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.237 12.224 -3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.185 11.673 -6.487 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.790 10.511 -4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.840 9.746 -7.971 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.445 8.583 -5.672 1.00 0.00 H new ATOM 0 HH TYR A 47 6.795 7.656 -8.073 1.00 0.00 H new ATOM 688 N GLY A 48 8.126 14.828 -5.873 1.00 0.00 N ATOM 689 CA GLY A 48 8.976 15.262 -6.966 1.00 0.00 C ATOM 690 C GLY A 48 8.230 16.107 -7.981 1.00 0.00 C ATOM 691 O GLY A 48 7.245 16.765 -7.646 1.00 0.00 O ATOM 0 H GLY A 48 8.454 15.093 -4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.813 15.835 -6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.397 14.388 -7.464 1.00 0.00 H new ATOM 695 N GLY A 49 8.698 16.085 -9.224 1.00 0.00 N ATOM 696 CA GLY A 49 8.056 16.858 -10.271 1.00 0.00 C ATOM 697 C GLY A 49 8.546 18.291 -10.318 1.00 0.00 C ATOM 698 O GLY A 49 9.400 18.689 -9.526 1.00 0.00 O ATOM 0 H GLY A 49 9.510 15.546 -9.525 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.241 16.383 -11.234 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.977 16.851 -10.114 1.00 0.00 H new ATOM 702 N ASN A 50 8.004 19.069 -11.250 1.00 0.00 N ATOM 703 CA ASN A 50 8.392 20.467 -11.399 1.00 0.00 C ATOM 704 C ASN A 50 7.513 21.369 -10.539 1.00 0.00 C ATOM 705 O ASN A 50 7.277 22.529 -10.876 1.00 0.00 O ATOM 706 CB ASN A 50 8.295 20.891 -12.866 1.00 0.00 C ATOM 707 CG ASN A 50 6.860 21.040 -13.332 1.00 0.00 C ATOM 708 OD1 ASN A 50 6.049 21.701 -12.684 1.00 0.00 O ATOM 709 ND2 ASN A 50 6.538 20.423 -14.463 1.00 0.00 N ATOM 0 H ASN A 50 7.295 18.755 -11.913 1.00 0.00 H new ATOM 0 HA ASN A 50 9.425 20.570 -11.065 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.819 21.837 -13.003 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.801 20.153 -13.489 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.587 20.487 -14.826 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.242 19.885 -14.969 1.00 0.00 H new ATOM 716 N SER A 51 7.030 20.827 -9.425 1.00 0.00 N ATOM 717 CA SER A 51 6.178 21.582 -8.515 1.00 0.00 C ATOM 718 C SER A 51 6.538 21.289 -7.061 1.00 0.00 C ATOM 719 O SER A 51 5.826 21.694 -6.142 1.00 0.00 O ATOM 720 CB SER A 51 4.706 21.248 -8.765 1.00 0.00 C ATOM 721 OG SER A 51 3.866 22.325 -8.390 1.00 0.00 O ATOM 0 H SER A 51 7.215 19.868 -9.132 1.00 0.00 H new ATOM 0 HA SER A 51 6.340 22.643 -8.703 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.557 21.017 -9.820 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.432 20.356 -8.202 1.00 0.00 H new ATOM 0 HG SER A 51 3.124 22.398 -9.026 1.00 0.00 H new ATOM 727 N ASN A 52 7.647 20.584 -6.860 1.00 0.00 N ATOM 728 CA ASN A 52 8.100 20.239 -5.518 1.00 0.00 C ATOM 729 C ASN A 52 7.135 19.266 -4.850 1.00 0.00 C ATOM 730 O ASN A 52 6.613 19.537 -3.769 1.00 0.00 O ATOM 731 CB ASN A 52 8.239 21.503 -4.667 1.00 0.00 C ATOM 732 CG ASN A 52 8.591 21.195 -3.226 1.00 0.00 C ATOM 733 OD1 ASN A 52 8.907 20.056 -2.882 1.00 0.00 O ATOM 734 ND2 ASN A 52 8.539 22.212 -2.374 1.00 0.00 N ATOM 0 H ASN A 52 8.248 20.241 -7.609 1.00 0.00 H new ATOM 0 HA ASN A 52 9.073 19.755 -5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.009 22.144 -5.097 1.00 0.00 H new ATOM 0 HB3 ASN A 52 7.304 22.063 -4.698 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.766 22.065 -1.390 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.272 23.140 -2.703 1.00 0.00 H new ATOM 741 N GLY A 53 6.905 18.130 -5.500 1.00 0.00 N ATOM 742 CA GLY A 53 6.004 17.130 -4.954 1.00 0.00 C ATOM 743 C GLY A 53 4.822 17.747 -4.234 1.00 0.00 C ATOM 744 O GLY A 53 4.371 17.229 -3.211 1.00 0.00 O ATOM 0 H GLY A 53 7.326 17.883 -6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.642 16.492 -5.761 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.552 16.490 -4.263 1.00 0.00 H new ATOM 748 N GLU A 54 4.319 18.856 -4.765 1.00 0.00 N ATOM 749 CA GLU A 54 3.181 19.544 -4.166 1.00 0.00 C ATOM 750 C GLU A 54 1.868 18.885 -4.581 1.00 0.00 C ATOM 751 O GLU A 54 1.862 17.844 -5.235 1.00 0.00 O ATOM 752 CB GLU A 54 3.180 21.019 -4.569 1.00 0.00 C ATOM 753 CG GLU A 54 3.368 21.972 -3.400 1.00 0.00 C ATOM 754 CD GLU A 54 4.309 23.115 -3.724 1.00 0.00 C ATOM 755 OE1 GLU A 54 4.125 23.754 -4.782 1.00 0.00 O ATOM 756 OE2 GLU A 54 5.229 23.374 -2.921 1.00 0.00 O ATOM 0 H GLU A 54 4.682 19.298 -5.610 1.00 0.00 H new ATOM 0 HA GLU A 54 3.273 19.474 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.974 21.188 -5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.238 21.250 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.399 22.376 -3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.755 21.419 -2.544 1.00 0.00 H new ATOM 763 N PRO A 55 0.735 19.491 -4.195 1.00 0.00 N ATOM 764 CA PRO A 55 -0.597 18.974 -4.513 1.00 0.00 C ATOM 765 C PRO A 55 -0.943 19.147 -5.987 1.00 0.00 C ATOM 766 O PRO A 55 -0.146 19.670 -6.765 1.00 0.00 O ATOM 767 CB PRO A 55 -1.538 19.820 -3.637 1.00 0.00 C ATOM 768 CG PRO A 55 -0.648 20.571 -2.699 1.00 0.00 C ATOM 769 CD PRO A 55 0.662 20.725 -3.412 1.00 0.00 C ATOM 0 HA PRO A 55 -0.672 17.903 -4.323 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.131 20.503 -4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.239 19.188 -3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.074 21.543 -2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.522 20.029 -1.762 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.678 21.611 -4.046 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.496 20.816 -2.716 1.00 0.00 H new ATOM 777 N CYS A 56 -2.137 18.704 -6.366 1.00 0.00 N ATOM 778 CA CYS A 56 -2.586 18.810 -7.749 1.00 0.00 C ATOM 779 C CYS A 56 -3.616 19.922 -7.908 1.00 0.00 C ATOM 780 O CYS A 56 -3.963 20.605 -6.945 1.00 0.00 O ATOM 781 CB CYS A 56 -3.180 17.482 -8.221 1.00 0.00 C ATOM 782 SG CYS A 56 -1.938 16.213 -8.628 1.00 0.00 S ATOM 0 H CYS A 56 -2.810 18.269 -5.736 1.00 0.00 H new ATOM 0 HA CYS A 56 -1.719 19.052 -8.363 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.838 17.094 -7.444 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.798 17.665 -9.100 1.00 0.00 H new ATOM 787 N VAL A 57 -4.099 20.095 -9.132 1.00 0.00 N ATOM 788 CA VAL A 57 -5.090 21.121 -9.427 1.00 0.00 C ATOM 789 C VAL A 57 -5.964 20.707 -10.606 1.00 0.00 C ATOM 790 O VAL A 57 -6.091 21.442 -11.586 1.00 0.00 O ATOM 791 CB VAL A 57 -4.418 22.470 -9.745 1.00 0.00 C ATOM 792 CG1 VAL A 57 -5.348 23.623 -9.404 1.00 0.00 C ATOM 793 CG2 VAL A 57 -3.099 22.596 -8.998 1.00 0.00 C ATOM 0 H VAL A 57 -3.819 19.536 -9.938 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.711 21.235 -8.539 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.208 22.510 -10.814 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.856 24.568 -9.635 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.263 23.538 -9.990 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.592 23.592 -8.342 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.637 23.555 -9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.281 22.535 -7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.432 21.788 -9.299 1.00 0.00 H new ATOM 803 N LEU A 58 -6.561 19.525 -10.504 1.00 0.00 N ATOM 804 CA LEU A 58 -7.423 19.009 -11.562 1.00 0.00 C ATOM 805 C LEU A 58 -8.874 19.424 -11.333 1.00 0.00 C ATOM 806 O LEU A 58 -9.184 20.112 -10.361 1.00 0.00 O ATOM 807 CB LEU A 58 -7.317 17.483 -11.631 1.00 0.00 C ATOM 808 CG LEU A 58 -6.311 16.857 -10.660 1.00 0.00 C ATOM 809 CD1 LEU A 58 -6.975 16.557 -9.326 1.00 0.00 C ATOM 810 CD2 LEU A 58 -5.713 15.593 -11.258 1.00 0.00 C ATOM 0 H LEU A 58 -6.464 18.906 -9.699 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.091 19.433 -12.510 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.301 17.057 -11.435 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.043 17.199 -12.647 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.505 17.570 -10.488 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.246 16.113 -8.648 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.356 17.482 -8.893 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.800 15.861 -9.479 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.000 15.160 -10.556 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.507 14.874 -11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.202 15.838 -12.189 1.00 0.00 H new ATOM 822 N PRO A 59 -9.786 19.010 -12.230 1.00 0.00 N ATOM 823 CA PRO A 59 -9.450 18.187 -13.400 1.00 0.00 C ATOM 824 C PRO A 59 -8.416 18.852 -14.301 1.00 0.00 C ATOM 825 O PRO A 59 -8.476 20.056 -14.549 1.00 0.00 O ATOM 826 CB PRO A 59 -10.786 18.048 -14.140 1.00 0.00 C ATOM 827 CG PRO A 59 -11.826 18.311 -13.108 1.00 0.00 C ATOM 828 CD PRO A 59 -11.225 19.315 -12.167 1.00 0.00 C ATOM 0 HA PRO A 59 -9.007 17.235 -13.108 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -10.857 18.759 -14.963 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.898 17.052 -14.569 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.738 18.698 -13.562 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.095 17.395 -12.582 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.435 20.338 -12.481 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.617 19.205 -11.156 1.00 0.00 H new ATOM 836 N PHE A 60 -7.466 18.060 -14.787 1.00 0.00 N ATOM 837 CA PHE A 60 -6.417 18.573 -15.660 1.00 0.00 C ATOM 838 C PHE A 60 -6.367 17.793 -16.969 1.00 0.00 C ATOM 839 O PHE A 60 -6.063 16.599 -16.982 1.00 0.00 O ATOM 840 CB PHE A 60 -5.059 18.499 -14.958 1.00 0.00 C ATOM 841 CG PHE A 60 -4.403 17.152 -15.059 1.00 0.00 C ATOM 842 CD1 PHE A 60 -4.873 16.081 -14.317 1.00 0.00 C ATOM 843 CD2 PHE A 60 -3.316 16.958 -15.896 1.00 0.00 C ATOM 844 CE1 PHE A 60 -4.271 14.839 -14.408 1.00 0.00 C ATOM 845 CE2 PHE A 60 -2.711 15.720 -15.992 1.00 0.00 C ATOM 846 CZ PHE A 60 -3.188 14.659 -15.247 1.00 0.00 C ATOM 0 H PHE A 60 -7.401 17.061 -14.591 1.00 0.00 H new ATOM 0 HA PHE A 60 -6.646 19.614 -15.887 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -4.396 19.250 -15.388 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.189 18.753 -13.906 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -5.719 16.217 -13.660 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.938 17.784 -16.480 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.647 14.012 -13.824 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.865 15.582 -16.649 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.715 13.691 -15.320 1.00 0.00 H new ATOM 856 N THR A 61 -6.666 18.474 -18.070 1.00 0.00 N ATOM 857 CA THR A 61 -6.655 17.851 -19.384 1.00 0.00 C ATOM 858 C THR A 61 -5.240 17.782 -19.948 1.00 0.00 C ATOM 859 O THR A 61 -4.407 18.644 -19.665 1.00 0.00 O ATOM 860 CB THR A 61 -7.549 18.621 -20.370 1.00 0.00 C ATOM 861 OG1 THR A 61 -7.364 20.031 -20.202 1.00 0.00 O ATOM 862 CG2 THR A 61 -9.015 18.271 -20.162 1.00 0.00 C ATOM 0 H THR A 61 -6.920 19.462 -18.076 1.00 0.00 H new ATOM 0 HA THR A 61 -7.043 16.840 -19.261 1.00 0.00 H new ATOM 0 HB THR A 61 -7.263 18.334 -21.382 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.936 20.514 -20.835 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.626 18.829 -20.871 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.160 17.202 -20.320 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.310 18.531 -19.146 1.00 0.00 H new ATOM 870 N TYR A 62 -4.973 16.755 -20.748 1.00 0.00 N ATOM 871 CA TYR A 62 -3.657 16.580 -21.354 1.00 0.00 C ATOM 872 C TYR A 62 -3.741 15.705 -22.601 1.00 0.00 C ATOM 873 O TYR A 62 -4.293 14.606 -22.566 1.00 0.00 O ATOM 874 CB TYR A 62 -2.680 15.970 -20.345 1.00 0.00 C ATOM 875 CG TYR A 62 -1.475 15.320 -20.986 1.00 0.00 C ATOM 876 CD1 TYR A 62 -0.396 16.084 -21.410 1.00 0.00 C ATOM 877 CD2 TYR A 62 -1.417 13.944 -21.167 1.00 0.00 C ATOM 878 CE1 TYR A 62 0.708 15.495 -21.996 1.00 0.00 C ATOM 879 CE2 TYR A 62 -0.316 13.347 -21.752 1.00 0.00 C ATOM 880 CZ TYR A 62 0.743 14.127 -22.165 1.00 0.00 C ATOM 881 OH TYR A 62 1.841 13.538 -22.748 1.00 0.00 O ATOM 0 H TYR A 62 -5.649 16.032 -20.992 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.289 17.562 -21.650 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.342 16.750 -19.663 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -3.207 15.228 -19.745 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.420 17.156 -21.280 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.246 13.331 -20.845 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.540 16.103 -22.320 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.286 12.276 -21.885 1.00 0.00 H new ATOM 0 HH TYR A 62 1.707 12.568 -22.792 1.00 0.00 H new ATOM 891 N ASN A 63 -3.194 16.208 -23.705 1.00 0.00 N ATOM 892 CA ASN A 63 -3.199 15.484 -24.974 1.00 0.00 C ATOM 893 C ASN A 63 -4.571 15.539 -25.653 1.00 0.00 C ATOM 894 O ASN A 63 -4.709 15.161 -26.816 1.00 0.00 O ATOM 895 CB ASN A 63 -2.764 14.027 -24.758 1.00 0.00 C ATOM 896 CG ASN A 63 -3.930 13.071 -24.581 1.00 0.00 C ATOM 897 OD1 ASN A 63 -3.952 12.364 -23.458 1.00 0.00 O flip ATOM 898 ND2 ASN A 63 -4.802 12.971 -25.445 1.00 0.00 N flip ATOM 0 H ASN A 63 -2.739 17.120 -23.746 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.485 15.973 -25.637 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.165 13.704 -25.609 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.123 13.973 -23.878 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.746 13.534 -26.294 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.580 12.325 -25.312 1.00 0.00 H new ATOM 905 N GLY A 64 -5.582 16.003 -24.923 1.00 0.00 N ATOM 906 CA GLY A 64 -6.918 16.085 -25.476 1.00 0.00 C ATOM 907 C GLY A 64 -7.937 15.389 -24.598 1.00 0.00 C ATOM 908 O GLY A 64 -9.128 15.370 -24.911 1.00 0.00 O ATOM 0 H GLY A 64 -5.497 16.323 -23.958 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.197 17.132 -25.596 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.928 15.636 -26.469 1.00 0.00 H new ATOM 912 N ARG A 65 -7.465 14.815 -23.496 1.00 0.00 N ATOM 913 CA ARG A 65 -8.339 14.112 -22.568 1.00 0.00 C ATOM 914 C ARG A 65 -8.366 14.824 -21.215 1.00 0.00 C ATOM 915 O ARG A 65 -7.373 15.422 -20.799 1.00 0.00 O ATOM 916 CB ARG A 65 -7.875 12.651 -22.423 1.00 0.00 C ATOM 917 CG ARG A 65 -7.552 12.216 -20.999 1.00 0.00 C ATOM 918 CD ARG A 65 -8.801 11.789 -20.245 1.00 0.00 C ATOM 919 NE ARG A 65 -9.725 11.044 -21.094 1.00 0.00 N ATOM 920 CZ ARG A 65 -11.039 11.001 -20.894 1.00 0.00 C ATOM 921 NH1 ARG A 65 -11.579 11.657 -19.876 1.00 0.00 N ATOM 922 NH2 ARG A 65 -11.814 10.302 -21.711 1.00 0.00 N ATOM 0 H ARG A 65 -6.482 14.824 -23.225 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.356 14.112 -22.961 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.653 11.998 -22.819 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.990 12.504 -23.041 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.841 11.390 -21.023 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.069 13.037 -20.468 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.516 11.173 -19.392 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.304 12.671 -19.848 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.341 10.527 -21.885 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.986 12.196 -19.245 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.587 11.623 -19.724 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.403 9.796 -22.495 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.822 10.270 -21.556 1.00 0.00 H new ATOM 936 N THR A 66 -9.504 14.753 -20.534 1.00 0.00 N ATOM 937 CA THR A 66 -9.652 15.389 -19.231 1.00 0.00 C ATOM 938 C THR A 66 -9.433 14.386 -18.103 1.00 0.00 C ATOM 939 O THR A 66 -10.318 13.592 -17.784 1.00 0.00 O ATOM 940 CB THR A 66 -11.045 16.028 -19.071 1.00 0.00 C ATOM 941 OG1 THR A 66 -11.398 16.739 -20.263 1.00 0.00 O ATOM 942 CG2 THR A 66 -11.071 16.977 -17.882 1.00 0.00 C ATOM 0 H THR A 66 -10.336 14.262 -20.862 1.00 0.00 H new ATOM 0 HA THR A 66 -8.894 16.170 -19.173 1.00 0.00 H new ATOM 0 HB THR A 66 -11.768 15.231 -18.896 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.285 17.141 -20.154 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.064 17.416 -17.789 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.831 16.427 -16.972 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.337 17.769 -18.032 1.00 0.00 H new ATOM 950 N PHE A 67 -8.247 14.426 -17.504 1.00 0.00 N ATOM 951 CA PHE A 67 -7.909 13.519 -16.414 1.00 0.00 C ATOM 952 C PHE A 67 -8.363 14.086 -15.073 1.00 0.00 C ATOM 953 O PHE A 67 -8.089 15.242 -14.750 1.00 0.00 O ATOM 954 CB PHE A 67 -6.401 13.261 -16.385 1.00 0.00 C ATOM 955 CG PHE A 67 -5.817 12.964 -17.737 1.00 0.00 C ATOM 956 CD1 PHE A 67 -5.512 13.993 -18.614 1.00 0.00 C ATOM 957 CD2 PHE A 67 -5.576 11.659 -18.131 1.00 0.00 C ATOM 958 CE1 PHE A 67 -4.975 13.724 -19.858 1.00 0.00 C ATOM 959 CE2 PHE A 67 -5.040 11.383 -19.375 1.00 0.00 C ATOM 960 CZ PHE A 67 -4.739 12.418 -20.239 1.00 0.00 C ATOM 0 H PHE A 67 -7.504 15.078 -17.756 1.00 0.00 H new ATOM 0 HA PHE A 67 -8.429 12.577 -16.586 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.899 14.133 -15.965 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -6.197 12.424 -15.718 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.696 15.016 -18.322 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.810 10.847 -17.458 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.740 14.535 -20.532 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.857 10.361 -19.671 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.320 12.206 -21.211 1.00 0.00 H new ATOM 970 N TYR A 68 -9.055 13.262 -14.292 1.00 0.00 N ATOM 971 CA TYR A 68 -9.543 13.679 -12.983 1.00 0.00 C ATOM 972 C TYR A 68 -8.558 13.285 -11.887 1.00 0.00 C ATOM 973 O TYR A 68 -8.881 13.335 -10.700 1.00 0.00 O ATOM 974 CB TYR A 68 -10.913 13.056 -12.703 1.00 0.00 C ATOM 975 CG TYR A 68 -12.065 13.831 -13.299 1.00 0.00 C ATOM 976 CD1 TYR A 68 -12.150 14.043 -14.670 1.00 0.00 C ATOM 977 CD2 TYR A 68 -13.068 14.353 -12.491 1.00 0.00 C ATOM 978 CE1 TYR A 68 -13.202 14.752 -15.218 1.00 0.00 C ATOM 979 CE2 TYR A 68 -14.123 15.062 -13.031 1.00 0.00 C ATOM 980 CZ TYR A 68 -14.186 15.260 -14.395 1.00 0.00 C ATOM 981 OH TYR A 68 -15.235 15.966 -14.937 1.00 0.00 O ATOM 0 H TYR A 68 -9.290 12.302 -14.543 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.641 14.765 -12.987 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.928 12.040 -13.097 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.055 12.982 -11.625 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.382 13.647 -15.317 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.022 14.202 -11.423 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -13.254 14.908 -16.285 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -14.895 15.460 -12.389 1.00 0.00 H new ATOM 0 HH TYR A 68 -15.840 16.253 -14.222 1.00 0.00 H new ATOM 991 N SER A 69 -7.355 12.893 -12.294 1.00 0.00 N ATOM 992 CA SER A 69 -6.320 12.489 -11.350 1.00 0.00 C ATOM 993 C SER A 69 -5.056 12.055 -12.085 1.00 0.00 C ATOM 994 O SER A 69 -5.049 11.933 -13.309 1.00 0.00 O ATOM 995 CB SER A 69 -6.825 11.350 -10.462 1.00 0.00 C ATOM 996 OG SER A 69 -8.020 10.790 -10.981 1.00 0.00 O ATOM 0 H SER A 69 -7.073 12.847 -13.273 1.00 0.00 H new ATOM 0 HA SER A 69 -6.079 13.347 -10.723 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.060 10.577 -10.387 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.002 11.722 -9.453 1.00 0.00 H new ATOM 0 HG SER A 69 -8.322 10.063 -10.397 1.00 0.00 H new ATOM 1002 N CYS A 70 -3.988 11.822 -11.329 1.00 0.00 N ATOM 1003 CA CYS A 70 -2.719 11.402 -11.912 1.00 0.00 C ATOM 1004 C CYS A 70 -2.945 10.429 -13.064 1.00 0.00 C ATOM 1005 O CYS A 70 -4.015 9.836 -13.188 1.00 0.00 O ATOM 1006 CB CYS A 70 -1.833 10.752 -10.846 1.00 0.00 C ATOM 1007 SG CYS A 70 -1.714 11.703 -9.297 1.00 0.00 S ATOM 0 H CYS A 70 -3.976 11.917 -10.313 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.216 12.287 -12.301 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.223 9.759 -10.621 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.832 10.617 -11.254 1.00 0.00 H new ATOM 1012 N THR A 71 -1.927 10.270 -13.904 1.00 0.00 N ATOM 1013 CA THR A 71 -2.014 9.369 -15.047 1.00 0.00 C ATOM 1014 C THR A 71 -0.630 9.062 -15.610 1.00 0.00 C ATOM 1015 O THR A 71 0.209 9.954 -15.742 1.00 0.00 O ATOM 1016 CB THR A 71 -2.890 9.961 -16.166 1.00 0.00 C ATOM 1017 OG1 THR A 71 -3.281 8.930 -17.082 1.00 0.00 O ATOM 1018 CG2 THR A 71 -2.143 11.054 -16.917 1.00 0.00 C ATOM 0 H THR A 71 -1.033 10.753 -13.814 1.00 0.00 H new ATOM 0 HA THR A 71 -2.472 8.447 -14.688 1.00 0.00 H new ATOM 0 HB THR A 71 -3.778 10.396 -15.708 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.839 9.315 -17.789 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.782 11.457 -17.703 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.872 11.851 -16.225 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.239 10.637 -17.362 1.00 0.00 H new ATOM 1026 N THR A 72 -0.397 7.797 -15.941 1.00 0.00 N ATOM 1027 CA THR A 72 0.885 7.373 -16.490 1.00 0.00 C ATOM 1028 C THR A 72 1.030 7.808 -17.945 1.00 0.00 C ATOM 1029 O THR A 72 2.115 7.729 -18.521 1.00 0.00 O ATOM 1030 CB THR A 72 1.055 5.844 -16.405 1.00 0.00 C ATOM 1031 OG1 THR A 72 -0.194 5.195 -16.675 1.00 0.00 O ATOM 1032 CG2 THR A 72 1.559 5.432 -15.030 1.00 0.00 C ATOM 0 H THR A 72 -1.080 7.047 -15.838 1.00 0.00 H new ATOM 0 HA THR A 72 1.659 7.851 -15.890 1.00 0.00 H new ATOM 0 HB THR A 72 1.790 5.540 -17.151 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.076 4.224 -16.621 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.671 4.348 -14.993 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.523 5.904 -14.840 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.844 5.748 -14.271 1.00 0.00 H new ATOM 1040 N GLU A 73 -0.071 8.265 -18.534 1.00 0.00 N ATOM 1041 CA GLU A 73 -0.065 8.713 -19.921 1.00 0.00 C ATOM 1042 C GLU A 73 1.244 9.416 -20.261 1.00 0.00 C ATOM 1043 O GLU A 73 1.410 10.606 -19.993 1.00 0.00 O ATOM 1044 CB GLU A 73 -1.244 9.653 -20.180 1.00 0.00 C ATOM 1045 CG GLU A 73 -2.309 9.059 -21.086 1.00 0.00 C ATOM 1046 CD GLU A 73 -1.721 8.284 -22.249 1.00 0.00 C ATOM 1047 OE1 GLU A 73 -1.436 7.081 -22.077 1.00 0.00 O ATOM 1048 OE2 GLU A 73 -1.544 8.882 -23.332 1.00 0.00 O ATOM 0 H GLU A 73 -0.978 8.334 -18.072 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.161 7.835 -20.560 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.699 9.922 -19.227 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.871 10.575 -20.627 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.950 8.399 -20.502 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.941 9.859 -21.470 1.00 0.00 H new ATOM 1055 N GLY A 74 2.174 8.672 -20.852 1.00 0.00 N ATOM 1056 CA GLY A 74 3.457 9.241 -21.219 1.00 0.00 C ATOM 1057 C GLY A 74 4.602 8.649 -20.421 1.00 0.00 C ATOM 1058 O GLY A 74 5.677 8.390 -20.963 1.00 0.00 O ATOM 0 H GLY A 74 2.061 7.685 -21.083 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.634 9.075 -22.282 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.430 10.320 -21.065 1.00 0.00 H new ATOM 1062 N ARG A 75 4.372 8.437 -19.129 1.00 0.00 N ATOM 1063 CA ARG A 75 5.393 7.872 -18.255 1.00 0.00 C ATOM 1064 C ARG A 75 5.438 6.353 -18.380 1.00 0.00 C ATOM 1065 O ARG A 75 4.431 5.716 -18.687 1.00 0.00 O ATOM 1066 CB ARG A 75 5.126 8.268 -16.801 1.00 0.00 C ATOM 1067 CG ARG A 75 5.248 9.761 -16.545 1.00 0.00 C ATOM 1068 CD ARG A 75 6.655 10.262 -16.827 1.00 0.00 C ATOM 1069 NE ARG A 75 7.609 9.811 -15.818 1.00 0.00 N ATOM 1070 CZ ARG A 75 7.788 10.420 -14.650 1.00 0.00 C ATOM 1071 NH1 ARG A 75 7.079 11.499 -14.347 1.00 0.00 N ATOM 1072 NH2 ARG A 75 8.674 9.950 -13.783 1.00 0.00 N ATOM 0 H ARG A 75 3.488 8.648 -18.665 1.00 0.00 H new ATOM 0 HA ARG A 75 6.359 8.272 -18.562 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.124 7.941 -16.522 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.826 7.739 -16.155 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.537 10.298 -17.173 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.985 9.976 -15.509 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.974 9.913 -17.809 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.652 11.351 -16.861 1.00 0.00 H new ATOM 0 HE ARG A 75 8.169 8.983 -16.020 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.395 11.863 -15.011 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.218 11.965 -13.450 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.220 9.119 -14.012 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.810 10.419 -12.887 1.00 0.00 H new ATOM 1086 N GLN A 76 6.613 5.778 -18.140 1.00 0.00 N ATOM 1087 CA GLN A 76 6.787 4.333 -18.227 1.00 0.00 C ATOM 1088 C GLN A 76 7.792 3.843 -17.188 1.00 0.00 C ATOM 1089 O GLN A 76 8.676 3.044 -17.495 1.00 0.00 O ATOM 1090 CB GLN A 76 7.252 3.938 -19.629 1.00 0.00 C ATOM 1091 CG GLN A 76 7.227 2.439 -19.879 1.00 0.00 C ATOM 1092 CD GLN A 76 8.048 2.035 -21.088 1.00 0.00 C ATOM 1093 OE1 GLN A 76 7.503 1.695 -22.138 1.00 0.00 O ATOM 1094 NE2 GLN A 76 9.368 2.070 -20.945 1.00 0.00 N ATOM 0 H GLN A 76 7.457 6.290 -17.884 1.00 0.00 H new ATOM 0 HA GLN A 76 5.824 3.863 -18.025 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.618 4.431 -20.365 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.266 4.307 -19.784 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.606 1.921 -18.998 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.196 2.115 -20.020 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.777 2.358 -20.056 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.972 1.809 -21.724 1.00 0.00 H new ATOM 1103 N ASP A 77 7.650 4.329 -15.960 1.00 0.00 N ATOM 1104 CA ASP A 77 8.546 3.940 -14.876 1.00 0.00 C ATOM 1105 C ASP A 77 7.769 3.291 -13.735 1.00 0.00 C ATOM 1106 O ASP A 77 8.356 2.702 -12.827 1.00 0.00 O ATOM 1107 CB ASP A 77 9.312 5.159 -14.359 1.00 0.00 C ATOM 1108 CG ASP A 77 8.601 6.462 -14.663 1.00 0.00 C ATOM 1109 OD1 ASP A 77 8.450 6.791 -15.858 1.00 0.00 O ATOM 1110 OD2 ASP A 77 8.194 7.155 -13.705 1.00 0.00 O ATOM 0 H ASP A 77 6.924 4.992 -15.690 1.00 0.00 H new ATOM 0 HA ASP A 77 9.257 3.212 -15.267 1.00 0.00 H new ATOM 0 HB2 ASP A 77 9.451 5.067 -13.282 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.305 5.177 -14.808 1.00 0.00 H new ATOM 1115 N GLY A 78 6.446 3.401 -13.788 1.00 0.00 N ATOM 1116 CA GLY A 78 5.612 2.819 -12.753 1.00 0.00 C ATOM 1117 C GLY A 78 4.644 3.823 -12.156 1.00 0.00 C ATOM 1118 O GLY A 78 3.430 3.681 -12.292 1.00 0.00 O ATOM 0 H GLY A 78 5.937 3.883 -14.529 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.052 1.982 -13.170 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.246 2.416 -11.963 1.00 0.00 H new ATOM 1122 N HIS A 79 5.186 4.839 -11.492 1.00 0.00 N ATOM 1123 CA HIS A 79 4.362 5.870 -10.871 1.00 0.00 C ATOM 1124 C HIS A 79 3.658 6.714 -11.930 1.00 0.00 C ATOM 1125 O HIS A 79 4.012 6.671 -13.108 1.00 0.00 O ATOM 1126 CB HIS A 79 5.221 6.768 -9.977 1.00 0.00 C ATOM 1127 CG HIS A 79 6.420 6.075 -9.409 1.00 0.00 C ATOM 1128 ND1 HIS A 79 7.603 6.725 -9.128 1.00 0.00 N ATOM 1129 CD2 HIS A 79 6.616 4.778 -9.068 1.00 0.00 C ATOM 1130 CE1 HIS A 79 8.474 5.860 -8.641 1.00 0.00 C ATOM 1131 NE2 HIS A 79 7.900 4.673 -8.593 1.00 0.00 N ATOM 0 H HIS A 79 6.190 4.970 -11.370 1.00 0.00 H new ATOM 0 HA HIS A 79 3.605 5.377 -10.261 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.550 7.633 -10.553 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.608 7.145 -9.159 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.897 3.977 -9.154 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.485 6.086 -8.334 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.339 3.816 -8.257 1.00 0.00 H new ATOM 1140 N LEU A 80 2.658 7.478 -11.502 1.00 0.00 N ATOM 1141 CA LEU A 80 1.904 8.330 -12.414 1.00 0.00 C ATOM 1142 C LEU A 80 2.300 9.794 -12.245 1.00 0.00 C ATOM 1143 O LEU A 80 2.928 10.168 -11.254 1.00 0.00 O ATOM 1144 CB LEU A 80 0.402 8.166 -12.176 1.00 0.00 C ATOM 1145 CG LEU A 80 -0.131 6.745 -12.369 1.00 0.00 C ATOM 1146 CD1 LEU A 80 0.120 5.908 -11.125 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -1.614 6.774 -12.705 1.00 0.00 C ATOM 0 H LEU A 80 2.351 7.524 -10.530 1.00 0.00 H new ATOM 0 HA LEU A 80 2.139 8.024 -13.433 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.173 8.489 -11.161 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.133 8.834 -12.852 1.00 0.00 H new ATOM 0 HG LEU A 80 0.401 6.287 -13.203 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.266 4.900 -11.280 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.191 5.860 -10.929 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.385 6.362 -10.273 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.977 5.755 -12.839 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.162 7.250 -11.892 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.768 7.338 -13.625 1.00 0.00 H new ATOM 1159 N TRP A 81 1.926 10.617 -13.219 1.00 0.00 N ATOM 1160 CA TRP A 81 2.238 12.040 -13.180 1.00 0.00 C ATOM 1161 C TRP A 81 0.964 12.874 -13.253 1.00 0.00 C ATOM 1162 O TRP A 81 0.130 12.676 -14.137 1.00 0.00 O ATOM 1163 CB TRP A 81 3.170 12.410 -14.335 1.00 0.00 C ATOM 1164 CG TRP A 81 2.555 12.199 -15.684 1.00 0.00 C ATOM 1165 CD1 TRP A 81 2.463 11.022 -16.370 1.00 0.00 C ATOM 1166 CD2 TRP A 81 1.944 13.195 -16.512 1.00 0.00 C ATOM 1167 NE1 TRP A 81 1.832 11.225 -17.572 1.00 0.00 N ATOM 1168 CE2 TRP A 81 1.503 12.551 -17.683 1.00 0.00 C ATOM 1169 CE3 TRP A 81 1.725 14.569 -16.376 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 0.858 13.234 -18.712 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 1.085 15.245 -17.397 1.00 0.00 C ATOM 1172 CH2 TRP A 81 0.658 14.578 -18.551 1.00 0.00 C ATOM 0 H TRP A 81 1.406 10.322 -14.045 1.00 0.00 H new ATOM 0 HA TRP A 81 2.739 12.253 -12.236 1.00 0.00 H new ATOM 0 HB2 TRP A 81 3.462 13.455 -14.236 1.00 0.00 H new ATOM 0 HB3 TRP A 81 4.081 11.816 -14.262 1.00 0.00 H new ATOM 0 HD1 TRP A 81 2.833 10.070 -16.018 1.00 0.00 H new ATOM 0 HE1 TRP A 81 1.639 10.506 -18.269 1.00 0.00 H new ATOM 0 HE3 TRP A 81 2.050 15.093 -15.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 0.528 12.722 -19.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 0.911 16.307 -17.303 1.00 0.00 H new ATOM 0 HH2 TRP A 81 0.160 15.136 -19.331 1.00 0.00 H new ATOM 1183 N CYS A 82 0.818 13.807 -12.317 1.00 0.00 N ATOM 1184 CA CYS A 82 -0.358 14.668 -12.276 1.00 0.00 C ATOM 1185 C CYS A 82 0.035 16.134 -12.426 1.00 0.00 C ATOM 1186 O CYS A 82 1.167 16.519 -12.128 1.00 0.00 O ATOM 1187 CB CYS A 82 -1.118 14.463 -10.965 1.00 0.00 C ATOM 1188 SG CYS A 82 -2.305 15.789 -10.578 1.00 0.00 S ATOM 0 H CYS A 82 1.498 13.986 -11.578 1.00 0.00 H new ATOM 0 HA CYS A 82 -1.005 14.398 -13.110 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -1.652 13.514 -11.012 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.399 14.384 -10.149 1.00 0.00 H new ATOM 1193 N SER A 83 -0.908 16.949 -12.888 1.00 0.00 N ATOM 1194 CA SER A 83 -0.663 18.374 -13.078 1.00 0.00 C ATOM 1195 C SER A 83 -0.977 19.155 -11.806 1.00 0.00 C ATOM 1196 O SER A 83 -1.964 18.880 -11.124 1.00 0.00 O ATOM 1197 CB SER A 83 -1.505 18.908 -14.238 1.00 0.00 C ATOM 1198 OG SER A 83 -2.839 19.153 -13.830 1.00 0.00 O ATOM 0 H SER A 83 -1.850 16.646 -13.138 1.00 0.00 H new ATOM 0 HA SER A 83 0.393 18.507 -13.313 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.063 19.829 -14.618 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.498 18.189 -15.057 1.00 0.00 H new ATOM 0 HG SER A 83 -3.286 18.301 -13.644 1.00 0.00 H new ATOM 1204 N THR A 84 -0.130 20.131 -11.492 1.00 0.00 N ATOM 1205 CA THR A 84 -0.317 20.952 -10.302 1.00 0.00 C ATOM 1206 C THR A 84 -0.804 22.349 -10.668 1.00 0.00 C ATOM 1207 O THR A 84 -0.285 23.348 -10.171 1.00 0.00 O ATOM 1208 CB THR A 84 0.987 21.072 -9.492 1.00 0.00 C ATOM 1209 OG1 THR A 84 2.053 21.514 -10.342 1.00 0.00 O ATOM 1210 CG2 THR A 84 1.356 19.740 -8.858 1.00 0.00 C ATOM 0 H THR A 84 0.692 20.372 -12.046 1.00 0.00 H new ATOM 0 HA THR A 84 -1.071 20.456 -9.692 1.00 0.00 H new ATOM 0 HB THR A 84 0.829 21.802 -8.698 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.655 20.764 -10.529 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.281 19.850 -8.291 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.556 19.421 -8.189 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.496 18.992 -9.638 1.00 0.00 H new ATOM 1218 N THR A 85 -1.805 22.411 -11.542 1.00 0.00 N ATOM 1219 CA THR A 85 -2.361 23.688 -11.974 1.00 0.00 C ATOM 1220 C THR A 85 -3.598 23.482 -12.842 1.00 0.00 C ATOM 1221 O THR A 85 -3.562 22.746 -13.828 1.00 0.00 O ATOM 1222 CB THR A 85 -1.328 24.514 -12.761 1.00 0.00 C ATOM 1223 OG1 THR A 85 -0.466 23.644 -13.503 1.00 0.00 O ATOM 1224 CG2 THR A 85 -0.498 25.376 -11.821 1.00 0.00 C ATOM 0 H THR A 85 -2.246 21.594 -11.964 1.00 0.00 H new ATOM 0 HA THR A 85 -2.639 24.233 -11.072 1.00 0.00 H new ATOM 0 HB THR A 85 -1.865 25.166 -13.450 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.658 23.732 -14.460 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.226 25.951 -12.399 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.153 26.057 -11.278 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.029 24.738 -11.112 1.00 0.00 H new ATOM 1232 N SER A 86 -4.693 24.137 -12.468 1.00 0.00 N ATOM 1233 CA SER A 86 -5.941 24.027 -13.212 1.00 0.00 C ATOM 1234 C SER A 86 -5.675 23.919 -14.710 1.00 0.00 C ATOM 1235 O SER A 86 -5.992 22.908 -15.335 1.00 0.00 O ATOM 1236 CB SER A 86 -6.837 25.235 -12.927 1.00 0.00 C ATOM 1237 OG SER A 86 -7.901 25.313 -13.859 1.00 0.00 O ATOM 0 H SER A 86 -4.740 24.749 -11.654 1.00 0.00 H new ATOM 0 HA SER A 86 -6.450 23.120 -12.886 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.239 25.163 -11.917 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.245 26.149 -12.970 1.00 0.00 H new ATOM 0 HG SER A 86 -8.459 26.092 -13.654 1.00 0.00 H new ATOM 1243 N ASN A 87 -5.092 24.969 -15.279 1.00 0.00 N ATOM 1244 CA ASN A 87 -4.783 24.992 -16.704 1.00 0.00 C ATOM 1245 C ASN A 87 -3.406 24.391 -16.972 1.00 0.00 C ATOM 1246 O ASN A 87 -2.440 25.114 -17.220 1.00 0.00 O ATOM 1247 CB ASN A 87 -4.839 26.424 -17.237 1.00 0.00 C ATOM 1248 CG ASN A 87 -6.231 27.020 -17.148 1.00 0.00 C ATOM 1249 OD1 ASN A 87 -6.980 27.024 -18.124 1.00 0.00 O ATOM 1250 ND2 ASN A 87 -6.583 27.527 -15.973 1.00 0.00 N ATOM 0 H ASN A 87 -4.824 25.815 -14.775 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.530 24.390 -17.221 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.144 27.046 -16.673 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.507 26.436 -18.275 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.507 27.941 -15.853 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -5.929 27.502 -15.190 1.00 0.00 H new ATOM 1257 N TYR A 88 -3.323 23.066 -16.917 1.00 0.00 N ATOM 1258 CA TYR A 88 -2.065 22.368 -17.154 1.00 0.00 C ATOM 1259 C TYR A 88 -1.347 22.938 -18.373 1.00 0.00 C ATOM 1260 O TYR A 88 -0.122 23.059 -18.383 1.00 0.00 O ATOM 1261 CB TYR A 88 -2.317 20.872 -17.348 1.00 0.00 C ATOM 1262 CG TYR A 88 -1.160 20.140 -17.990 1.00 0.00 C ATOM 1263 CD1 TYR A 88 -0.063 19.739 -17.237 1.00 0.00 C ATOM 1264 CD2 TYR A 88 -1.164 19.851 -19.349 1.00 0.00 C ATOM 1265 CE1 TYR A 88 0.996 19.070 -17.820 1.00 0.00 C ATOM 1266 CE2 TYR A 88 -0.109 19.183 -19.939 1.00 0.00 C ATOM 1267 CZ TYR A 88 0.968 18.794 -19.171 1.00 0.00 C ATOM 1268 OH TYR A 88 2.022 18.128 -19.755 1.00 0.00 O ATOM 0 H TYR A 88 -4.112 22.454 -16.710 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.428 22.512 -16.281 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.529 20.420 -16.379 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.206 20.739 -17.964 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.038 19.954 -16.179 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.006 20.154 -19.954 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.841 18.765 -17.221 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.128 18.966 -20.997 1.00 0.00 H new ATOM 0 HH TYR A 88 1.678 17.428 -20.349 1.00 0.00 H new ATOM 1278 N GLU A 89 -2.117 23.284 -19.399 1.00 0.00 N ATOM 1279 CA GLU A 89 -1.554 23.840 -20.623 1.00 0.00 C ATOM 1280 C GLU A 89 -0.958 25.221 -20.370 1.00 0.00 C ATOM 1281 O GLU A 89 -0.114 25.693 -21.133 1.00 0.00 O ATOM 1282 CB GLU A 89 -2.627 23.927 -21.710 1.00 0.00 C ATOM 1283 CG GLU A 89 -3.617 22.773 -21.681 1.00 0.00 C ATOM 1284 CD GLU A 89 -4.256 22.519 -23.032 1.00 0.00 C ATOM 1285 OE1 GLU A 89 -4.775 23.483 -23.633 1.00 0.00 O ATOM 1286 OE2 GLU A 89 -4.239 21.356 -23.489 1.00 0.00 O ATOM 0 H GLU A 89 -3.133 23.189 -19.407 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.758 23.176 -20.960 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.171 24.865 -21.598 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.142 23.955 -22.686 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.106 21.869 -21.349 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.396 22.986 -20.949 1.00 0.00 H new ATOM 1293 N GLN A 90 -1.402 25.864 -19.295 1.00 0.00 N ATOM 1294 CA GLN A 90 -0.912 27.190 -18.942 1.00 0.00 C ATOM 1295 C GLN A 90 0.342 27.096 -18.078 1.00 0.00 C ATOM 1296 O GLN A 90 1.416 27.544 -18.475 1.00 0.00 O ATOM 1297 CB GLN A 90 -1.996 27.978 -18.204 1.00 0.00 C ATOM 1298 CG GLN A 90 -2.396 29.267 -18.903 1.00 0.00 C ATOM 1299 CD GLN A 90 -1.241 30.239 -19.038 1.00 0.00 C ATOM 1300 OE1 GLN A 90 -0.616 30.335 -20.094 1.00 0.00 O ATOM 1301 NE2 GLN A 90 -0.950 30.966 -17.966 1.00 0.00 N ATOM 0 H GLN A 90 -2.100 25.488 -18.654 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.657 27.712 -19.864 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -2.878 27.347 -18.091 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -1.642 28.214 -17.200 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.787 29.033 -19.893 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.203 29.743 -18.346 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.494 30.854 -17.111 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.182 31.636 -17.998 1.00 0.00 H new ATOM 1310 N ASP A 91 0.194 26.510 -16.894 1.00 0.00 N ATOM 1311 CA ASP A 91 1.315 26.357 -15.973 1.00 0.00 C ATOM 1312 C ASP A 91 2.244 25.238 -16.428 1.00 0.00 C ATOM 1313 O ASP A 91 3.467 25.380 -16.395 1.00 0.00 O ATOM 1314 CB ASP A 91 0.805 26.069 -14.560 1.00 0.00 C ATOM 1315 CG ASP A 91 1.126 27.188 -13.589 1.00 0.00 C ATOM 1316 OD1 ASP A 91 1.007 28.367 -13.982 1.00 0.00 O ATOM 1317 OD2 ASP A 91 1.495 26.885 -12.435 1.00 0.00 O ATOM 0 H ASP A 91 -0.690 26.134 -16.550 1.00 0.00 H new ATOM 0 HA ASP A 91 1.877 27.291 -15.966 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.274 25.917 -14.590 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.248 25.141 -14.199 1.00 0.00 H new ATOM 1322 N GLN A 92 1.657 24.125 -16.856 1.00 0.00 N ATOM 1323 CA GLN A 92 2.432 22.981 -17.320 1.00 0.00 C ATOM 1324 C GLN A 92 3.105 22.267 -16.150 1.00 0.00 C ATOM 1325 O GLN A 92 3.972 21.416 -16.345 1.00 0.00 O ATOM 1326 CB GLN A 92 3.488 23.430 -18.332 1.00 0.00 C ATOM 1327 CG GLN A 92 3.013 24.543 -19.251 1.00 0.00 C ATOM 1328 CD GLN A 92 2.515 24.024 -20.586 1.00 0.00 C ATOM 1329 OE1 GLN A 92 1.755 22.936 -20.552 1.00 0.00 O flip ATOM 1330 NE2 GLN A 92 2.810 24.594 -21.637 1.00 0.00 N flip ATOM 0 H GLN A 92 0.646 23.991 -16.891 1.00 0.00 H new ATOM 0 HA GLN A 92 1.748 22.284 -17.803 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.374 23.767 -17.795 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.788 22.574 -18.936 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.214 25.098 -18.760 1.00 0.00 H new ATOM 0 HG3 GLN A 92 3.831 25.244 -19.420 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.397 25.428 -21.618 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.467 24.232 -22.527 1.00 0.00 H new ATOM 1339 N LYS A 93 2.697 22.620 -14.935 1.00 0.00 N ATOM 1340 CA LYS A 93 3.259 22.013 -13.735 1.00 0.00 C ATOM 1341 C LYS A 93 2.687 20.616 -13.513 1.00 0.00 C ATOM 1342 O LYS A 93 1.641 20.269 -14.062 1.00 0.00 O ATOM 1343 CB LYS A 93 2.980 22.890 -12.514 1.00 0.00 C ATOM 1344 CG LYS A 93 3.180 24.374 -12.772 1.00 0.00 C ATOM 1345 CD LYS A 93 4.221 24.969 -11.838 1.00 0.00 C ATOM 1346 CE LYS A 93 3.970 26.446 -11.589 1.00 0.00 C ATOM 1347 NZ LYS A 93 2.970 26.667 -10.508 1.00 0.00 N ATOM 0 H LYS A 93 1.980 23.323 -14.756 1.00 0.00 H new ATOM 0 HA LYS A 93 4.337 21.928 -13.873 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.955 22.722 -12.183 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.633 22.580 -11.698 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.489 24.526 -13.806 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.233 24.897 -12.643 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.209 24.432 -10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.214 24.835 -12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.908 26.933 -11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.619 26.914 -12.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.225 27.519 -9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.027 26.793 -10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.959 25.844 -9.872 1.00 0.00 H new ATOM 1361 N TYR A 94 3.379 19.819 -12.705 1.00 0.00 N ATOM 1362 CA TYR A 94 2.938 18.460 -12.412 1.00 0.00 C ATOM 1363 C TYR A 94 3.671 17.898 -11.198 1.00 0.00 C ATOM 1364 O TYR A 94 4.447 18.599 -10.550 1.00 0.00 O ATOM 1365 CB TYR A 94 3.168 17.555 -13.624 1.00 0.00 C ATOM 1366 CG TYR A 94 4.609 17.504 -14.078 1.00 0.00 C ATOM 1367 CD1 TYR A 94 5.600 16.996 -13.247 1.00 0.00 C ATOM 1368 CD2 TYR A 94 4.979 17.964 -15.335 1.00 0.00 C ATOM 1369 CE1 TYR A 94 6.919 16.949 -13.657 1.00 0.00 C ATOM 1370 CE2 TYR A 94 6.296 17.920 -15.752 1.00 0.00 C ATOM 1371 CZ TYR A 94 7.261 17.411 -14.910 1.00 0.00 C ATOM 1372 OH TYR A 94 8.574 17.367 -15.322 1.00 0.00 O ATOM 0 H TYR A 94 4.246 20.090 -12.242 1.00 0.00 H new ATOM 0 HA TYR A 94 1.872 18.492 -12.187 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.837 16.545 -13.381 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.548 17.904 -14.450 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.335 16.632 -12.265 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.225 18.363 -15.998 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.678 16.552 -12.999 1.00 0.00 H new ATOM 0 HE2 TYR A 94 6.567 18.283 -16.732 1.00 0.00 H new ATOM 0 HH TYR A 94 8.644 17.729 -16.230 1.00 0.00 H new ATOM 1382 N SER A 95 3.418 16.628 -10.899 1.00 0.00 N ATOM 1383 CA SER A 95 4.055 15.969 -9.764 1.00 0.00 C ATOM 1384 C SER A 95 3.891 14.455 -9.855 1.00 0.00 C ATOM 1385 O SER A 95 2.808 13.955 -10.154 1.00 0.00 O ATOM 1386 CB SER A 95 3.458 16.480 -8.450 1.00 0.00 C ATOM 1387 OG SER A 95 4.204 17.572 -7.942 1.00 0.00 O ATOM 0 H SER A 95 2.777 16.035 -11.426 1.00 0.00 H new ATOM 0 HA SER A 95 5.119 16.205 -9.787 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.424 16.785 -8.611 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.442 15.674 -7.716 1.00 0.00 H new ATOM 0 HG SER A 95 4.460 18.165 -8.679 1.00 0.00 H new ATOM 1393 N PHE A 96 4.975 13.731 -9.595 1.00 0.00 N ATOM 1394 CA PHE A 96 4.950 12.274 -9.649 1.00 0.00 C ATOM 1395 C PHE A 96 4.237 11.695 -8.432 1.00 0.00 C ATOM 1396 O PHE A 96 4.763 11.723 -7.319 1.00 0.00 O ATOM 1397 CB PHE A 96 6.375 11.722 -9.729 1.00 0.00 C ATOM 1398 CG PHE A 96 7.323 12.621 -10.470 1.00 0.00 C ATOM 1399 CD1 PHE A 96 6.899 13.325 -11.585 1.00 0.00 C ATOM 1400 CD2 PHE A 96 8.635 12.762 -10.051 1.00 0.00 C ATOM 1401 CE1 PHE A 96 7.767 14.154 -12.269 1.00 0.00 C ATOM 1402 CE2 PHE A 96 9.509 13.589 -10.730 1.00 0.00 C ATOM 1403 CZ PHE A 96 9.074 14.286 -11.840 1.00 0.00 C ATOM 0 H PHE A 96 5.880 14.129 -9.345 1.00 0.00 H new ATOM 0 HA PHE A 96 4.401 11.979 -10.543 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.752 11.563 -8.719 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.352 10.748 -10.218 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.878 13.225 -11.923 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.979 12.219 -9.183 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.425 14.698 -13.137 1.00 0.00 H new ATOM 0 HE2 PHE A 96 10.530 13.690 -10.393 1.00 0.00 H new ATOM 0 HZ PHE A 96 9.755 14.934 -12.372 1.00 0.00 H new ATOM 1413 N CYS A 97 3.037 11.170 -8.652 1.00 0.00 N ATOM 1414 CA CYS A 97 2.250 10.583 -7.575 1.00 0.00 C ATOM 1415 C CYS A 97 2.691 9.151 -7.296 1.00 0.00 C ATOM 1416 O CYS A 97 3.707 8.691 -7.817 1.00 0.00 O ATOM 1417 CB CYS A 97 0.762 10.607 -7.930 1.00 0.00 C ATOM 1418 SG CYS A 97 0.283 11.967 -9.043 1.00 0.00 S ATOM 0 H CYS A 97 2.588 11.139 -9.567 1.00 0.00 H new ATOM 0 HA CYS A 97 2.413 11.177 -6.676 1.00 0.00 H new ATOM 0 HB2 CYS A 97 0.496 9.659 -8.397 1.00 0.00 H new ATOM 0 HB3 CYS A 97 0.182 10.683 -7.011 1.00 0.00 H new ATOM 1423 N THR A 98 1.917 8.451 -6.476 1.00 0.00 N ATOM 1424 CA THR A 98 2.224 7.069 -6.129 1.00 0.00 C ATOM 1425 C THR A 98 1.410 6.100 -6.978 1.00 0.00 C ATOM 1426 O THR A 98 0.184 6.192 -7.036 1.00 0.00 O ATOM 1427 CB THR A 98 1.950 6.783 -4.639 1.00 0.00 C ATOM 1428 OG1 THR A 98 0.731 6.043 -4.498 1.00 0.00 O ATOM 1429 CG2 THR A 98 1.855 8.077 -3.844 1.00 0.00 C ATOM 0 H THR A 98 1.072 8.818 -6.039 1.00 0.00 H new ATOM 0 HA THR A 98 3.286 6.923 -6.326 1.00 0.00 H new ATOM 0 HB THR A 98 2.781 6.196 -4.248 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.565 5.864 -3.549 1.00 0.00 H new ATOM 0 HG21 THR A 98 1.661 7.847 -2.796 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.793 8.625 -3.928 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.042 8.687 -4.238 1.00 0.00 H new ATOM 1437 N ASP A 99 2.099 5.175 -7.637 1.00 0.00 N ATOM 1438 CA ASP A 99 1.439 4.188 -8.485 1.00 0.00 C ATOM 1439 C ASP A 99 0.406 3.392 -7.695 1.00 0.00 C ATOM 1440 O ASP A 99 0.655 2.254 -7.300 1.00 0.00 O ATOM 1441 CB ASP A 99 2.472 3.240 -9.098 1.00 0.00 C ATOM 1442 CG ASP A 99 3.624 2.954 -8.156 1.00 0.00 C ATOM 1443 OD1 ASP A 99 3.522 3.318 -6.965 1.00 0.00 O ATOM 1444 OD2 ASP A 99 4.629 2.365 -8.608 1.00 0.00 O ATOM 0 H ASP A 99 3.115 5.088 -7.601 1.00 0.00 H new ATOM 0 HA ASP A 99 0.924 4.720 -9.285 1.00 0.00 H new ATOM 0 HB2 ASP A 99 1.986 2.303 -9.368 1.00 0.00 H new ATOM 0 HB3 ASP A 99 2.859 3.675 -10.019 1.00 0.00 H new ATOM 1449 N HIS A 100 -0.754 4.000 -7.468 1.00 0.00 N ATOM 1450 CA HIS A 100 -1.826 3.349 -6.723 1.00 0.00 C ATOM 1451 C HIS A 100 -1.277 2.636 -5.494 1.00 0.00 C ATOM 1452 O HIS A 100 -1.645 1.497 -5.211 1.00 0.00 O ATOM 1453 CB HIS A 100 -2.566 2.353 -7.619 1.00 0.00 C ATOM 1454 CG HIS A 100 -3.793 2.921 -8.260 1.00 0.00 C ATOM 1455 ND1 HIS A 100 -4.950 2.194 -8.450 1.00 0.00 N ATOM 1456 CD2 HIS A 100 -4.044 4.156 -8.756 1.00 0.00 C ATOM 1457 CE1 HIS A 100 -5.856 2.956 -9.036 1.00 0.00 C ATOM 1458 NE2 HIS A 100 -5.331 4.151 -9.231 1.00 0.00 N ATOM 0 H HIS A 100 -0.976 4.942 -7.789 1.00 0.00 H new ATOM 0 HA HIS A 100 -2.525 4.117 -6.393 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -1.888 2.004 -8.398 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -2.846 1.482 -7.026 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -3.358 4.990 -8.774 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -6.856 2.653 -9.309 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -5.805 4.943 -9.665 1.00 0.00 H new ATOM 1467 N THR A 101 -0.399 3.325 -4.767 1.00 0.00 N ATOM 1468 CA THR A 101 0.209 2.779 -3.558 1.00 0.00 C ATOM 1469 C THR A 101 0.313 1.257 -3.613 1.00 0.00 C ATOM 1470 O THR A 101 -0.651 0.547 -3.327 1.00 0.00 O ATOM 1471 CB THR A 101 -0.585 3.192 -2.307 1.00 0.00 C ATOM 1472 OG1 THR A 101 0.160 2.878 -1.125 1.00 0.00 O ATOM 1473 CG2 THR A 101 -1.937 2.496 -2.266 1.00 0.00 C ATOM 0 H THR A 101 -0.092 4.270 -4.998 1.00 0.00 H new ATOM 0 HA THR A 101 1.216 3.192 -3.498 1.00 0.00 H new ATOM 0 HB THR A 101 -0.753 4.268 -2.351 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.177 3.411 -0.375 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.478 2.805 -1.372 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.513 2.767 -3.151 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.790 1.416 -2.246 1.00 0.00 H new ATOM 1481 N VAL A 102 1.491 0.763 -3.982 1.00 0.00 N ATOM 1482 CA VAL A 102 1.721 -0.673 -4.074 1.00 0.00 C ATOM 1483 C VAL A 102 1.895 -1.293 -2.692 1.00 0.00 C ATOM 1484 O VAL A 102 2.863 -1.004 -1.988 1.00 0.00 O ATOM 1485 CB VAL A 102 2.966 -0.989 -4.924 1.00 0.00 C ATOM 1486 CG1 VAL A 102 4.150 -0.150 -4.470 1.00 0.00 C ATOM 1487 CG2 VAL A 102 3.296 -2.472 -4.859 1.00 0.00 C ATOM 0 H VAL A 102 2.300 1.336 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 102 0.842 -1.103 -4.554 1.00 0.00 H new ATOM 0 HB VAL A 102 2.748 -0.735 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.020 -0.387 -5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.909 0.908 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.371 -0.368 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.178 -2.675 -5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.493 -2.756 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.453 -3.049 -5.239 1.00 0.00 H new ATOM 1497 N LEU A 103 0.951 -2.148 -2.309 1.00 0.00 N ATOM 1498 CA LEU A 103 1.001 -2.810 -1.010 1.00 0.00 C ATOM 1499 C LEU A 103 0.559 -4.265 -1.124 1.00 0.00 C ATOM 1500 O LEU A 103 -0.482 -4.564 -1.708 1.00 0.00 O ATOM 1501 CB LEU A 103 0.113 -2.075 -0.003 1.00 0.00 C ATOM 1502 CG LEU A 103 -0.288 -0.656 -0.410 1.00 0.00 C ATOM 1503 CD1 LEU A 103 -1.733 -0.628 -0.888 1.00 0.00 C ATOM 1504 CD2 LEU A 103 -0.088 0.308 0.749 1.00 0.00 C ATOM 0 H LEU A 103 0.143 -2.398 -2.879 1.00 0.00 H new ATOM 0 HA LEU A 103 2.033 -2.787 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.792 -2.661 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.635 -2.029 0.953 1.00 0.00 H new ATOM 0 HG LEU A 103 0.352 -0.339 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.002 0.389 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.845 -1.288 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.389 -0.965 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.378 1.312 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.703 -0.005 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.961 0.308 1.045 1.00 0.00 H new ATOM 1516 N VAL A 104 1.359 -5.164 -0.563 1.00 0.00 N ATOM 1517 CA VAL A 104 1.052 -6.589 -0.600 1.00 0.00 C ATOM 1518 C VAL A 104 0.584 -7.077 0.770 1.00 0.00 C ATOM 1519 O VAL A 104 1.165 -6.727 1.796 1.00 0.00 O ATOM 1520 CB VAL A 104 2.283 -7.409 -1.065 1.00 0.00 C ATOM 1521 CG1 VAL A 104 2.300 -8.805 -0.451 1.00 0.00 C ATOM 1522 CG2 VAL A 104 2.316 -7.498 -2.583 1.00 0.00 C ATOM 0 H VAL A 104 2.225 -4.932 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 104 0.246 -6.738 -1.318 1.00 0.00 H new ATOM 0 HB VAL A 104 3.175 -6.887 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.178 -9.346 -0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.334 -8.724 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.400 -9.344 -0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.186 -8.077 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.409 -7.986 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.377 -6.495 -3.005 1.00 0.00 H new ATOM 1532 N GLN A 105 -0.465 -7.892 0.775 1.00 0.00 N ATOM 1533 CA GLN A 105 -1.007 -8.433 2.016 1.00 0.00 C ATOM 1534 C GLN A 105 -0.439 -9.822 2.291 1.00 0.00 C ATOM 1535 O GLN A 105 -1.059 -10.834 1.962 1.00 0.00 O ATOM 1536 CB GLN A 105 -2.534 -8.498 1.947 1.00 0.00 C ATOM 1537 CG GLN A 105 -3.177 -7.203 1.479 1.00 0.00 C ATOM 1538 CD GLN A 105 -4.669 -7.341 1.251 1.00 0.00 C ATOM 1539 OE1 GLN A 105 -5.325 -8.191 1.854 1.00 0.00 O ATOM 1540 NE2 GLN A 105 -5.214 -6.505 0.375 1.00 0.00 N ATOM 0 H GLN A 105 -0.957 -8.193 -0.066 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.718 -7.770 2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.825 -9.303 1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.924 -8.752 2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.997 -6.424 2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.700 -6.879 0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.633 -5.816 -0.102 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.214 -6.552 0.179 1.00 0.00 H new ATOM 1549 N THR A 106 0.747 -9.863 2.890 1.00 0.00 N ATOM 1550 CA THR A 106 1.401 -11.128 3.204 1.00 0.00 C ATOM 1551 C THR A 106 0.905 -11.697 4.528 1.00 0.00 C ATOM 1552 O THR A 106 0.290 -10.992 5.327 1.00 0.00 O ATOM 1553 CB THR A 106 2.929 -10.965 3.278 1.00 0.00 C ATOM 1554 OG1 THR A 106 3.263 -9.629 3.672 1.00 0.00 O ATOM 1555 CG2 THR A 106 3.575 -11.280 1.939 1.00 0.00 C ATOM 0 H THR A 106 1.274 -9.035 3.167 1.00 0.00 H new ATOM 0 HA THR A 106 1.149 -11.817 2.398 1.00 0.00 H new ATOM 0 HB THR A 106 3.309 -11.668 4.020 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.693 -9.357 4.421 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.655 -11.157 2.018 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.346 -12.308 1.658 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.187 -10.601 1.179 1.00 0.00 H new ATOM 1563 N ARG A 107 1.180 -12.978 4.752 1.00 0.00 N ATOM 1564 CA ARG A 107 0.766 -13.646 5.979 1.00 0.00 C ATOM 1565 C ARG A 107 1.505 -14.970 6.153 1.00 0.00 C ATOM 1566 O ARG A 107 1.937 -15.583 5.177 1.00 0.00 O ATOM 1567 CB ARG A 107 -0.744 -13.890 5.970 1.00 0.00 C ATOM 1568 CG ARG A 107 -1.316 -14.108 4.578 1.00 0.00 C ATOM 1569 CD ARG A 107 -2.649 -14.837 4.631 1.00 0.00 C ATOM 1570 NE ARG A 107 -3.688 -14.129 3.888 1.00 0.00 N ATOM 1571 CZ ARG A 107 -4.444 -13.171 4.412 1.00 0.00 C ATOM 1572 NH1 ARG A 107 -4.275 -12.806 5.676 1.00 0.00 N ATOM 1573 NH2 ARG A 107 -5.369 -12.574 3.674 1.00 0.00 N ATOM 0 H ARG A 107 1.688 -13.574 4.099 1.00 0.00 H new ATOM 0 HA ARG A 107 1.016 -12.996 6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.967 -14.761 6.586 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.244 -13.038 6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -1.446 -13.146 4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -0.609 -14.683 3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.530 -15.840 4.222 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.959 -14.951 5.670 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.842 -14.384 2.913 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -3.563 -13.261 6.248 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -4.857 -12.070 6.076 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.502 -12.850 2.701 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -5.948 -11.839 4.079 1.00 0.00 H new ATOM 1587 N GLY A 108 1.646 -15.405 7.402 1.00 0.00 N ATOM 1588 CA GLY A 108 2.332 -16.655 7.678 1.00 0.00 C ATOM 1589 C GLY A 108 3.790 -16.451 8.042 1.00 0.00 C ATOM 1590 O GLY A 108 4.337 -15.364 7.858 1.00 0.00 O ATOM 0 H GLY A 108 1.298 -14.915 8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.826 -17.170 8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.267 -17.302 6.803 1.00 0.00 H new ATOM 1594 N GLY A 109 4.418 -17.501 8.560 1.00 0.00 N ATOM 1595 CA GLY A 109 5.816 -17.415 8.943 1.00 0.00 C ATOM 1596 C GLY A 109 6.041 -16.476 10.111 1.00 0.00 C ATOM 1597 O GLY A 109 6.035 -16.901 11.267 1.00 0.00 O ATOM 0 H GLY A 109 3.985 -18.410 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.179 -18.409 9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 109 6.403 -17.075 8.090 1.00 0.00 H new ATOM 1601 N ASN A 110 6.241 -15.198 9.810 1.00 0.00 N ATOM 1602 CA ASN A 110 6.470 -14.195 10.843 1.00 0.00 C ATOM 1603 C ASN A 110 5.945 -12.833 10.402 1.00 0.00 C ATOM 1604 O ASN A 110 6.315 -11.802 10.964 1.00 0.00 O ATOM 1605 CB ASN A 110 7.961 -14.100 11.170 1.00 0.00 C ATOM 1606 CG ASN A 110 8.829 -14.126 9.926 1.00 0.00 C ATOM 1607 OD1 ASN A 110 8.463 -13.572 8.889 1.00 0.00 O ATOM 1608 ND2 ASN A 110 9.984 -14.772 10.024 1.00 0.00 N ATOM 0 H ASN A 110 6.249 -14.832 8.858 1.00 0.00 H new ATOM 0 HA ASN A 110 5.929 -14.500 11.739 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.151 -13.180 11.723 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.241 -14.927 11.822 1.00 0.00 H new ATOM 0 HD21 ASN A 110 10.609 -14.824 9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 110 10.247 -15.217 10.904 1.00 0.00 H new ATOM 1615 N SER A 111 5.082 -12.838 9.393 1.00 0.00 N ATOM 1616 CA SER A 111 4.504 -11.605 8.873 1.00 0.00 C ATOM 1617 C SER A 111 3.157 -11.319 9.527 1.00 0.00 C ATOM 1618 O SER A 111 2.737 -10.166 9.631 1.00 0.00 O ATOM 1619 CB SER A 111 4.336 -11.699 7.356 1.00 0.00 C ATOM 1620 OG SER A 111 3.491 -10.670 6.872 1.00 0.00 O ATOM 0 H SER A 111 4.767 -13.684 8.918 1.00 0.00 H new ATOM 0 HA SER A 111 5.184 -10.786 9.108 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.311 -11.630 6.874 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.918 -12.671 7.093 1.00 0.00 H new ATOM 0 HG SER A 111 3.020 -10.983 6.072 1.00 0.00 H new ATOM 1626 N ASN A 112 2.481 -12.376 9.966 1.00 0.00 N ATOM 1627 CA ASN A 112 1.180 -12.238 10.608 1.00 0.00 C ATOM 1628 C ASN A 112 0.371 -11.124 9.953 1.00 0.00 C ATOM 1629 O ASN A 112 0.127 -10.081 10.561 1.00 0.00 O ATOM 1630 CB ASN A 112 1.350 -11.953 12.100 1.00 0.00 C ATOM 1631 CG ASN A 112 2.555 -12.659 12.690 1.00 0.00 C ATOM 1632 OD1 ASN A 112 3.687 -12.453 12.252 1.00 0.00 O ATOM 1633 ND2 ASN A 112 2.318 -13.499 13.691 1.00 0.00 N ATOM 0 H ASN A 112 2.813 -13.337 9.889 1.00 0.00 H new ATOM 0 HA ASN A 112 0.640 -13.177 10.487 1.00 0.00 H new ATOM 0 HB2 ASN A 112 1.451 -10.878 12.253 1.00 0.00 H new ATOM 0 HB3 ASN A 112 0.452 -12.267 12.632 1.00 0.00 H new ATOM 0 HD21 ASN A 112 3.090 -14.003 14.128 1.00 0.00 H new ATOM 0 HD22 ASN A 112 1.364 -13.640 14.023 1.00 0.00 H new ATOM 1640 N GLY A 113 -0.041 -11.351 8.710 1.00 0.00 N ATOM 1641 CA GLY A 113 -0.815 -10.357 7.993 1.00 0.00 C ATOM 1642 C GLY A 113 -0.135 -9.003 7.970 1.00 0.00 C ATOM 1643 O GLY A 113 -0.655 -8.032 8.521 1.00 0.00 O ATOM 0 H GLY A 113 0.148 -12.206 8.187 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.978 -10.696 6.970 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.796 -10.260 8.457 1.00 0.00 H new ATOM 1647 N ALA A 114 1.031 -8.935 7.333 1.00 0.00 N ATOM 1648 CA ALA A 114 1.777 -7.686 7.249 1.00 0.00 C ATOM 1649 C ALA A 114 1.854 -7.187 5.811 1.00 0.00 C ATOM 1650 O ALA A 114 2.196 -7.940 4.899 1.00 0.00 O ATOM 1651 CB ALA A 114 3.175 -7.867 7.821 1.00 0.00 C ATOM 0 H ALA A 114 1.477 -9.727 6.870 1.00 0.00 H new ATOM 0 HA ALA A 114 1.248 -6.937 7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.721 -6.926 7.752 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.104 -8.170 8.866 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.703 -8.635 7.256 1.00 0.00 H new ATOM 1657 N LEU A 115 1.536 -5.911 5.616 1.00 0.00 N ATOM 1658 CA LEU A 115 1.573 -5.311 4.290 1.00 0.00 C ATOM 1659 C LEU A 115 2.965 -5.440 3.682 1.00 0.00 C ATOM 1660 O LEU A 115 3.780 -4.522 3.776 1.00 0.00 O ATOM 1661 CB LEU A 115 1.167 -3.839 4.359 1.00 0.00 C ATOM 1662 CG LEU A 115 -0.134 -3.491 3.632 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -0.346 -1.985 3.610 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -0.121 -4.051 2.218 1.00 0.00 C ATOM 0 H LEU A 115 1.250 -5.274 6.360 1.00 0.00 H new ATOM 0 HA LEU A 115 0.864 -5.842 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 115 1.067 -3.554 5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.972 -3.236 3.940 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.964 -3.946 4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.276 -1.756 3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.401 -1.610 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.487 -1.508 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.054 -3.794 1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.717 -3.626 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.017 -5.135 2.257 1.00 0.00 H new ATOM 1676 N CYS A 116 3.233 -6.585 3.062 1.00 0.00 N ATOM 1677 CA CYS A 116 4.529 -6.830 2.443 1.00 0.00 C ATOM 1678 C CYS A 116 5.005 -5.599 1.683 1.00 0.00 C ATOM 1679 O CYS A 116 4.216 -4.919 1.024 1.00 0.00 O ATOM 1680 CB CYS A 116 4.448 -8.032 1.502 1.00 0.00 C ATOM 1681 SG CYS A 116 5.976 -9.021 1.410 1.00 0.00 S ATOM 0 H CYS A 116 2.571 -7.356 2.975 1.00 0.00 H new ATOM 0 HA CYS A 116 5.249 -7.047 3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 116 3.631 -8.677 1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.198 -7.679 0.502 1.00 0.00 H new ATOM 1686 N HIS A 117 6.299 -5.318 1.782 1.00 0.00 N ATOM 1687 CA HIS A 117 6.888 -4.168 1.108 1.00 0.00 C ATOM 1688 C HIS A 117 7.364 -4.550 -0.290 1.00 0.00 C ATOM 1689 O HIS A 117 8.085 -5.531 -0.465 1.00 0.00 O ATOM 1690 CB HIS A 117 8.058 -3.617 1.926 1.00 0.00 C ATOM 1691 CG HIS A 117 8.380 -2.185 1.630 1.00 0.00 C ATOM 1692 ND1 HIS A 117 9.008 -1.618 0.573 1.00 0.00 N flip ATOM 1693 CD2 HIS A 117 8.057 -1.149 2.481 1.00 0.00 C flip ATOM 1694 CE1 HIS A 117 9.052 -0.265 0.803 1.00 0.00 C flip ATOM 1695 NE2 HIS A 117 8.473 -0.007 1.960 1.00 0.00 N flip ATOM 0 H HIS A 117 6.962 -5.873 2.324 1.00 0.00 H new ATOM 0 HA HIS A 117 6.124 -3.396 1.016 1.00 0.00 H new ATOM 0 HB2 HIS A 117 7.826 -3.716 2.986 1.00 0.00 H new ATOM 0 HB3 HIS A 117 8.942 -4.226 1.735 1.00 0.00 H new ATOM 0 HD1 HIS A 117 9.379 -2.105 -0.243 1.00 0.00 H new ATOM 0 HD2 HIS A 117 7.544 -1.254 3.426 1.00 0.00 H new ATOM 0 HE1 HIS A 117 9.490 0.469 0.143 1.00 0.00 H new ATOM 1704 N PHE A 118 6.951 -3.770 -1.282 1.00 0.00 N ATOM 1705 CA PHE A 118 7.330 -4.030 -2.664 1.00 0.00 C ATOM 1706 C PHE A 118 7.737 -2.739 -3.370 1.00 0.00 C ATOM 1707 O PHE A 118 6.966 -1.780 -3.418 1.00 0.00 O ATOM 1708 CB PHE A 118 6.168 -4.686 -3.413 1.00 0.00 C ATOM 1709 CG PHE A 118 6.175 -6.187 -3.350 1.00 0.00 C ATOM 1710 CD1 PHE A 118 7.125 -6.919 -4.045 1.00 0.00 C ATOM 1711 CD2 PHE A 118 5.226 -6.867 -2.603 1.00 0.00 C ATOM 1712 CE1 PHE A 118 7.126 -8.299 -3.996 1.00 0.00 C ATOM 1713 CE2 PHE A 118 5.226 -8.248 -2.549 1.00 0.00 C ATOM 1714 CZ PHE A 118 6.177 -8.963 -3.248 1.00 0.00 C ATOM 0 H PHE A 118 6.354 -2.953 -1.154 1.00 0.00 H new ATOM 0 HA PHE A 118 8.185 -4.706 -2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 118 5.229 -4.319 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 118 6.200 -4.376 -4.457 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.872 -6.405 -4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.478 -6.311 -2.057 1.00 0.00 H new ATOM 0 HE1 PHE A 118 7.870 -8.858 -4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.483 -8.767 -1.961 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.178 -10.042 -3.209 1.00 0.00 H new ATOM 1724 N PRO A 119 8.957 -2.696 -3.930 1.00 0.00 N ATOM 1725 CA PRO A 119 9.902 -3.811 -3.897 1.00 0.00 C ATOM 1726 C PRO A 119 10.581 -3.950 -2.539 1.00 0.00 C ATOM 1727 O PRO A 119 10.621 -3.004 -1.754 1.00 0.00 O ATOM 1728 CB PRO A 119 10.948 -3.454 -4.972 1.00 0.00 C ATOM 1729 CG PRO A 119 10.404 -2.232 -5.647 1.00 0.00 C ATOM 1730 CD PRO A 119 9.517 -1.555 -4.647 1.00 0.00 C ATOM 0 HA PRO A 119 9.400 -4.761 -4.077 1.00 0.00 H new ATOM 0 HB2 PRO A 119 11.923 -3.258 -4.525 1.00 0.00 H new ATOM 0 HB3 PRO A 119 11.081 -4.271 -5.681 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.211 -1.570 -5.961 1.00 0.00 H new ATOM 0 HG3 PRO A 119 9.845 -2.500 -6.543 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.076 -0.891 -3.987 1.00 0.00 H new ATOM 0 HD3 PRO A 119 8.745 -0.953 -5.126 1.00 0.00 H new ATOM 1738 N PHE A 120 11.123 -5.133 -2.273 1.00 0.00 N ATOM 1739 CA PHE A 120 11.811 -5.394 -1.014 1.00 0.00 C ATOM 1740 C PHE A 120 13.241 -5.856 -1.271 1.00 0.00 C ATOM 1741 O PHE A 120 13.504 -6.577 -2.233 1.00 0.00 O ATOM 1742 CB PHE A 120 11.059 -6.449 -0.199 1.00 0.00 C ATOM 1743 CG PHE A 120 10.963 -7.784 -0.882 1.00 0.00 C ATOM 1744 CD1 PHE A 120 10.020 -8.004 -1.873 1.00 0.00 C ATOM 1745 CD2 PHE A 120 11.816 -8.818 -0.531 1.00 0.00 C ATOM 1746 CE1 PHE A 120 9.928 -9.232 -2.500 1.00 0.00 C ATOM 1747 CE2 PHE A 120 11.729 -10.049 -1.156 1.00 0.00 C ATOM 1748 CZ PHE A 120 10.784 -10.256 -2.141 1.00 0.00 C ATOM 0 H PHE A 120 11.099 -5.927 -2.913 1.00 0.00 H new ATOM 0 HA PHE A 120 11.840 -4.465 -0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.558 -6.577 0.761 1.00 0.00 H new ATOM 0 HB3 PHE A 120 10.053 -6.085 0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 120 9.349 -7.207 -2.159 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.557 -8.661 0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.188 -9.391 -3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 120 12.400 -10.847 -0.874 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.714 -11.216 -2.630 1.00 0.00 H new ATOM 1758 N LEU A 121 14.166 -5.434 -0.415 1.00 0.00 N ATOM 1759 CA LEU A 121 15.566 -5.808 -0.571 1.00 0.00 C ATOM 1760 C LEU A 121 15.827 -7.216 -0.049 1.00 0.00 C ATOM 1761 O LEU A 121 15.578 -7.519 1.118 1.00 0.00 O ATOM 1762 CB LEU A 121 16.484 -4.816 0.146 1.00 0.00 C ATOM 1763 CG LEU A 121 17.873 -5.363 0.489 1.00 0.00 C ATOM 1764 CD1 LEU A 121 17.804 -6.265 1.712 1.00 0.00 C ATOM 1765 CD2 LEU A 121 18.453 -6.115 -0.696 1.00 0.00 C ATOM 0 H LEU A 121 13.973 -4.837 0.389 1.00 0.00 H new ATOM 0 HA LEU A 121 15.786 -5.786 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.601 -3.932 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.998 -4.492 1.067 1.00 0.00 H new ATOM 0 HG LEU A 121 18.528 -4.523 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 121 18.800 -6.644 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 121 17.428 -5.697 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 121 17.135 -7.101 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 121 19.440 -6.497 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 121 17.798 -6.947 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 121 18.538 -5.441 -1.548 1.00 0.00 H new ATOM 1777 N TYR A 122 16.345 -8.064 -0.926 1.00 0.00 N ATOM 1778 CA TYR A 122 16.669 -9.441 -0.575 1.00 0.00 C ATOM 1779 C TYR A 122 18.159 -9.691 -0.769 1.00 0.00 C ATOM 1780 O TYR A 122 18.716 -9.373 -1.820 1.00 0.00 O ATOM 1781 CB TYR A 122 15.859 -10.418 -1.430 1.00 0.00 C ATOM 1782 CG TYR A 122 16.247 -11.864 -1.226 1.00 0.00 C ATOM 1783 CD1 TYR A 122 17.468 -12.347 -1.683 1.00 0.00 C ATOM 1784 CD2 TYR A 122 15.395 -12.747 -0.576 1.00 0.00 C ATOM 1785 CE1 TYR A 122 17.826 -13.669 -1.496 1.00 0.00 C ATOM 1786 CE2 TYR A 122 15.746 -14.069 -0.384 1.00 0.00 C ATOM 1787 CZ TYR A 122 16.963 -14.525 -0.846 1.00 0.00 C ATOM 1788 OH TYR A 122 17.316 -15.842 -0.658 1.00 0.00 O ATOM 0 H TYR A 122 16.552 -7.820 -1.895 1.00 0.00 H new ATOM 0 HA TYR A 122 16.413 -9.602 0.472 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.800 -10.298 -1.200 1.00 0.00 H new ATOM 0 HB3 TYR A 122 15.987 -10.161 -2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 122 18.147 -11.679 -2.192 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.441 -12.394 -0.214 1.00 0.00 H new ATOM 0 HE1 TYR A 122 18.778 -14.030 -1.858 1.00 0.00 H new ATOM 0 HE2 TYR A 122 15.072 -14.742 0.125 1.00 0.00 H new ATOM 0 HH TYR A 122 16.899 -16.179 0.162 1.00 0.00 H new ATOM 1798 N ASN A 123 18.809 -10.244 0.249 1.00 0.00 N ATOM 1799 CA ASN A 123 20.239 -10.507 0.172 1.00 0.00 C ATOM 1800 C ASN A 123 20.953 -9.305 -0.435 1.00 0.00 C ATOM 1801 O ASN A 123 21.686 -9.431 -1.415 1.00 0.00 O ATOM 1802 CB ASN A 123 20.510 -11.758 -0.667 1.00 0.00 C ATOM 1803 CG ASN A 123 21.670 -12.575 -0.132 1.00 0.00 C ATOM 1804 OD1 ASN A 123 22.509 -12.068 0.613 1.00 0.00 O ATOM 1805 ND2 ASN A 123 21.723 -13.847 -0.509 1.00 0.00 N ATOM 0 H ASN A 123 18.372 -10.516 1.130 1.00 0.00 H new ATOM 0 HA ASN A 123 20.618 -10.678 1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 123 19.613 -12.377 -0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 123 20.721 -11.464 -1.695 1.00 0.00 H new ATOM 0 HD21 ASN A 123 22.481 -14.445 -0.180 1.00 0.00 H new ATOM 0 HD22 ASN A 123 21.006 -14.226 -1.128 1.00 0.00 H new ATOM 1812 N ASN A 124 20.707 -8.135 0.149 1.00 0.00 N ATOM 1813 CA ASN A 124 21.296 -6.888 -0.327 1.00 0.00 C ATOM 1814 C ASN A 124 21.078 -6.725 -1.828 1.00 0.00 C ATOM 1815 O ASN A 124 21.785 -5.965 -2.491 1.00 0.00 O ATOM 1816 CB ASN A 124 22.789 -6.830 0.005 1.00 0.00 C ATOM 1817 CG ASN A 124 23.597 -7.871 -0.745 1.00 0.00 C ATOM 1818 OD1 ASN A 124 23.689 -7.835 -1.972 1.00 0.00 O ATOM 1819 ND2 ASN A 124 24.187 -8.806 -0.010 1.00 0.00 N ATOM 0 H ASN A 124 20.098 -8.025 0.960 1.00 0.00 H new ATOM 0 HA ASN A 124 20.798 -6.064 0.184 1.00 0.00 H new ATOM 0 HB2 ASN A 124 23.172 -5.838 -0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 124 22.924 -6.974 1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 124 24.743 -9.533 -0.460 1.00 0.00 H new ATOM 0 HD22 ASN A 124 24.084 -8.798 1.005 1.00 0.00 H new ATOM 1826 N HIS A 125 20.082 -7.431 -2.352 1.00 0.00 N ATOM 1827 CA HIS A 125 19.746 -7.361 -3.766 1.00 0.00 C ATOM 1828 C HIS A 125 18.301 -6.905 -3.940 1.00 0.00 C ATOM 1829 O HIS A 125 17.383 -7.726 -3.986 1.00 0.00 O ATOM 1830 CB HIS A 125 19.952 -8.722 -4.434 1.00 0.00 C ATOM 1831 CG HIS A 125 20.644 -8.640 -5.759 1.00 0.00 C ATOM 1832 ND1 HIS A 125 21.470 -9.635 -6.239 1.00 0.00 N ATOM 1833 CD2 HIS A 125 20.631 -7.675 -6.709 1.00 0.00 C ATOM 1834 CE1 HIS A 125 21.935 -9.285 -7.425 1.00 0.00 C ATOM 1835 NE2 HIS A 125 21.440 -8.100 -7.733 1.00 0.00 N ATOM 0 H HIS A 125 19.490 -8.063 -1.812 1.00 0.00 H new ATOM 0 HA HIS A 125 20.406 -6.637 -4.244 1.00 0.00 H new ATOM 0 HB2 HIS A 125 20.534 -9.360 -3.768 1.00 0.00 H new ATOM 0 HB3 HIS A 125 18.983 -9.202 -4.569 1.00 0.00 H new ATOM 0 HD2 HIS A 125 20.085 -6.744 -6.668 1.00 0.00 H new ATOM 0 HE1 HIS A 125 22.606 -9.869 -8.038 1.00 0.00 H new ATOM 0 HE2 HIS A 125 21.628 -7.584 -8.593 1.00 0.00 H new ATOM 1844 N ASN A 126 18.106 -5.593 -4.019 1.00 0.00 N ATOM 1845 CA ASN A 126 16.772 -5.019 -4.174 1.00 0.00 C ATOM 1846 C ASN A 126 15.874 -5.927 -5.011 1.00 0.00 C ATOM 1847 O ASN A 126 16.059 -6.055 -6.221 1.00 0.00 O ATOM 1848 CB ASN A 126 16.863 -3.636 -4.822 1.00 0.00 C ATOM 1849 CG ASN A 126 16.689 -2.514 -3.817 1.00 0.00 C ATOM 1850 OD1 ASN A 126 15.672 -1.819 -3.821 1.00 0.00 O ATOM 1851 ND2 ASN A 126 17.683 -2.337 -2.953 1.00 0.00 N ATOM 0 H ASN A 126 18.857 -4.904 -3.978 1.00 0.00 H new ATOM 0 HA ASN A 126 16.331 -4.923 -3.182 1.00 0.00 H new ATOM 0 HB2 ASN A 126 17.829 -3.532 -5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 126 16.100 -3.549 -5.595 1.00 0.00 H new ATOM 0 HD22 ASN A 126 18.505 -2.940 -2.991 1.00 0.00 H new ATOM 1857 N TYR A 127 14.897 -6.550 -4.358 1.00 0.00 N ATOM 1858 CA TYR A 127 13.966 -7.442 -5.041 1.00 0.00 C ATOM 1859 C TYR A 127 12.644 -6.733 -5.316 1.00 0.00 C ATOM 1860 O TYR A 127 12.401 -5.637 -4.809 1.00 0.00 O ATOM 1861 CB TYR A 127 13.719 -8.698 -4.202 1.00 0.00 C ATOM 1862 CG TYR A 127 14.690 -9.820 -4.488 1.00 0.00 C ATOM 1863 CD1 TYR A 127 15.893 -9.575 -5.137 1.00 0.00 C ATOM 1864 CD2 TYR A 127 14.403 -11.125 -4.108 1.00 0.00 C ATOM 1865 CE1 TYR A 127 16.783 -10.599 -5.399 1.00 0.00 C ATOM 1866 CE2 TYR A 127 15.289 -12.154 -4.366 1.00 0.00 C ATOM 1867 CZ TYR A 127 16.478 -11.886 -5.011 1.00 0.00 C ATOM 1868 OH TYR A 127 17.362 -12.907 -5.271 1.00 0.00 O ATOM 0 H TYR A 127 14.730 -6.453 -3.356 1.00 0.00 H new ATOM 0 HA TYR A 127 14.410 -7.733 -5.993 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.781 -8.436 -3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 127 12.704 -9.052 -4.384 1.00 0.00 H new ATOM 0 HD1 TYR A 127 16.137 -8.568 -5.442 1.00 0.00 H new ATOM 0 HD2 TYR A 127 13.473 -11.339 -3.603 1.00 0.00 H new ATOM 0 HE1 TYR A 127 17.714 -10.392 -5.906 1.00 0.00 H new ATOM 0 HE2 TYR A 127 15.051 -13.163 -4.064 1.00 0.00 H new ATOM 0 HH TYR A 127 16.996 -13.751 -4.932 1.00 0.00 H new ATOM 1878 N THR A 128 11.791 -7.362 -6.119 1.00 0.00 N ATOM 1879 CA THR A 128 10.496 -6.784 -6.456 1.00 0.00 C ATOM 1880 C THR A 128 9.518 -7.849 -6.939 1.00 0.00 C ATOM 1881 O THR A 128 8.918 -7.716 -8.005 1.00 0.00 O ATOM 1882 CB THR A 128 10.630 -5.700 -7.541 1.00 0.00 C ATOM 1883 OG1 THR A 128 11.901 -5.048 -7.428 1.00 0.00 O ATOM 1884 CG2 THR A 128 9.516 -4.672 -7.421 1.00 0.00 C ATOM 0 H THR A 128 11.973 -8.270 -6.547 1.00 0.00 H new ATOM 0 HA THR A 128 10.110 -6.332 -5.542 1.00 0.00 H new ATOM 0 HB THR A 128 10.554 -6.182 -8.515 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.979 -4.361 -8.122 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.633 -3.917 -8.198 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.551 -5.166 -7.537 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.565 -4.195 -6.442 1.00 0.00 H new ATOM 1892 N ASP A 129 9.356 -8.903 -6.145 1.00 0.00 N ATOM 1893 CA ASP A 129 8.443 -9.987 -6.493 1.00 0.00 C ATOM 1894 C ASP A 129 8.483 -11.091 -5.446 1.00 0.00 C ATOM 1895 O ASP A 129 9.550 -11.461 -4.957 1.00 0.00 O ATOM 1896 CB ASP A 129 8.787 -10.556 -7.871 1.00 0.00 C ATOM 1897 CG ASP A 129 9.924 -11.556 -7.816 1.00 0.00 C ATOM 1898 OD1 ASP A 129 9.682 -12.710 -7.404 1.00 0.00 O ATOM 1899 OD2 ASP A 129 11.058 -11.186 -8.185 1.00 0.00 O ATOM 0 H ASP A 129 9.844 -9.030 -5.258 1.00 0.00 H new ATOM 0 HA ASP A 129 7.433 -9.579 -6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.904 -11.036 -8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 129 9.057 -9.740 -8.541 1.00 0.00 H new ATOM 1904 N CYS A 130 7.309 -11.611 -5.109 1.00 0.00 N ATOM 1905 CA CYS A 130 7.202 -12.672 -4.119 1.00 0.00 C ATOM 1906 C CYS A 130 8.197 -13.789 -4.409 1.00 0.00 C ATOM 1907 O CYS A 130 7.874 -14.761 -5.093 1.00 0.00 O ATOM 1908 CB CYS A 130 5.778 -13.232 -4.090 1.00 0.00 C ATOM 1909 SG CYS A 130 4.488 -11.969 -3.839 1.00 0.00 S ATOM 0 H CYS A 130 6.418 -11.314 -5.508 1.00 0.00 H new ATOM 0 HA CYS A 130 7.436 -12.248 -3.142 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.584 -13.753 -5.028 1.00 0.00 H new ATOM 0 HB3 CYS A 130 5.706 -13.973 -3.294 1.00 0.00 H new ATOM 1914 N THR A 131 9.408 -13.642 -3.886 1.00 0.00 N ATOM 1915 CA THR A 131 10.454 -14.636 -4.088 1.00 0.00 C ATOM 1916 C THR A 131 10.205 -15.876 -3.237 1.00 0.00 C ATOM 1917 O THR A 131 9.713 -15.781 -2.112 1.00 0.00 O ATOM 1918 CB THR A 131 11.844 -14.066 -3.750 1.00 0.00 C ATOM 1919 OG1 THR A 131 12.863 -14.998 -4.134 1.00 0.00 O ATOM 1920 CG2 THR A 131 11.959 -13.769 -2.262 1.00 0.00 C ATOM 0 H THR A 131 9.690 -12.843 -3.318 1.00 0.00 H new ATOM 0 HA THR A 131 10.429 -14.911 -5.142 1.00 0.00 H new ATOM 0 HB THR A 131 11.975 -13.136 -4.303 1.00 0.00 H new ATOM 0 HG1 THR A 131 13.727 -14.704 -3.777 1.00 0.00 H new ATOM 0 HG21 THR A 131 12.949 -13.367 -2.047 1.00 0.00 H new ATOM 0 HG22 THR A 131 11.201 -13.039 -1.977 1.00 0.00 H new ATOM 0 HG23 THR A 131 11.809 -14.688 -1.695 1.00 0.00 H new ATOM 1928 N SER A 132 10.545 -17.040 -3.781 1.00 0.00 N ATOM 1929 CA SER A 132 10.357 -18.300 -3.071 1.00 0.00 C ATOM 1930 C SER A 132 11.698 -18.895 -2.656 1.00 0.00 C ATOM 1931 O SER A 132 11.823 -20.108 -2.481 1.00 0.00 O ATOM 1932 CB SER A 132 9.594 -19.293 -3.949 1.00 0.00 C ATOM 1933 OG SER A 132 10.485 -20.159 -4.633 1.00 0.00 O ATOM 0 H SER A 132 10.952 -17.137 -4.711 1.00 0.00 H new ATOM 0 HA SER A 132 9.776 -18.100 -2.171 1.00 0.00 H new ATOM 0 HB2 SER A 132 8.913 -19.880 -3.332 1.00 0.00 H new ATOM 0 HB3 SER A 132 8.983 -18.751 -4.671 1.00 0.00 H new ATOM 0 HG SER A 132 10.385 -20.034 -5.600 1.00 0.00 H new ATOM 1939 N GLU A 133 12.699 -18.035 -2.498 1.00 0.00 N ATOM 1940 CA GLU A 133 14.031 -18.478 -2.103 1.00 0.00 C ATOM 1941 C GLU A 133 13.952 -19.481 -0.959 1.00 0.00 C ATOM 1942 O GLU A 133 13.459 -19.166 0.125 1.00 0.00 O ATOM 1943 CB GLU A 133 14.887 -17.280 -1.689 1.00 0.00 C ATOM 1944 CG GLU A 133 16.035 -16.993 -2.644 1.00 0.00 C ATOM 1945 CD GLU A 133 17.276 -17.804 -2.324 1.00 0.00 C ATOM 1946 OE1 GLU A 133 17.324 -18.409 -1.232 1.00 0.00 O ATOM 1947 OE2 GLU A 133 18.198 -17.835 -3.165 1.00 0.00 O ATOM 0 H GLU A 133 12.613 -17.028 -2.637 1.00 0.00 H new ATOM 0 HA GLU A 133 14.494 -18.967 -2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 133 14.252 -16.397 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 133 15.291 -17.460 -0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 133 15.717 -17.209 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 133 16.279 -15.931 -2.604 1.00 0.00 H new ATOM 1954 N GLY A 134 14.440 -20.692 -1.205 1.00 0.00 N ATOM 1955 CA GLY A 134 14.415 -21.725 -0.185 1.00 0.00 C ATOM 1956 C GLY A 134 13.192 -22.615 -0.294 1.00 0.00 C ATOM 1957 O GLY A 134 13.076 -23.612 0.418 1.00 0.00 O ATOM 0 H GLY A 134 14.853 -20.977 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 134 15.314 -22.336 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 134 14.436 -21.260 0.800 1.00 0.00 H new ATOM 1961 N ARG A 135 12.277 -22.252 -1.188 1.00 0.00 N ATOM 1962 CA ARG A 135 11.056 -23.025 -1.388 1.00 0.00 C ATOM 1963 C ARG A 135 10.953 -23.512 -2.829 1.00 0.00 C ATOM 1964 O ARG A 135 11.396 -24.613 -3.157 1.00 0.00 O ATOM 1965 CB ARG A 135 9.830 -22.180 -1.035 1.00 0.00 C ATOM 1966 CG ARG A 135 9.516 -22.156 0.452 1.00 0.00 C ATOM 1967 CD ARG A 135 8.304 -21.289 0.752 1.00 0.00 C ATOM 1968 NE ARG A 135 7.066 -21.898 0.273 1.00 0.00 N ATOM 1969 CZ ARG A 135 6.499 -22.956 0.840 1.00 0.00 C ATOM 1970 NH1 ARG A 135 7.059 -23.526 1.899 1.00 0.00 N ATOM 1971 NH2 ARG A 135 5.369 -23.447 0.348 1.00 0.00 N ATOM 0 H ARG A 135 12.358 -21.429 -1.785 1.00 0.00 H new ATOM 0 HA ARG A 135 11.092 -23.894 -0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 135 9.991 -21.159 -1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.965 -22.566 -1.574 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.334 -23.172 0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 135 10.379 -21.779 1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 135 8.234 -21.122 1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 135 8.432 -20.312 0.286 1.00 0.00 H new ATOM 0 HE ARG A 135 6.612 -21.487 -0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 135 7.928 -23.151 2.280 1.00 0.00 H new ATOM 0 HH12 ARG A 135 6.621 -24.339 2.332 1.00 0.00 H new ATOM 0 HH21 ARG A 135 4.936 -23.012 -0.466 1.00 0.00 H new ATOM 0 HH22 ARG A 135 4.934 -24.260 0.784 1.00 0.00 H new ATOM 1985 N ARG A 136 10.364 -22.685 -3.686 1.00 0.00 N ATOM 1986 CA ARG A 136 10.201 -23.030 -5.093 1.00 0.00 C ATOM 1987 C ARG A 136 8.951 -23.877 -5.304 1.00 0.00 C ATOM 1988 O ARG A 136 8.818 -24.565 -6.317 1.00 0.00 O ATOM 1989 CB ARG A 136 11.432 -23.782 -5.601 1.00 0.00 C ATOM 1990 CG ARG A 136 11.623 -23.690 -7.107 1.00 0.00 C ATOM 1991 CD ARG A 136 11.272 -25.000 -7.793 1.00 0.00 C ATOM 1992 NE ARG A 136 10.790 -24.792 -9.157 1.00 0.00 N ATOM 1993 CZ ARG A 136 11.554 -24.337 -10.145 1.00 0.00 C ATOM 1994 NH1 ARG A 136 12.828 -24.045 -9.921 1.00 0.00 N ATOM 1995 NH2 ARG A 136 11.044 -24.174 -11.358 1.00 0.00 N ATOM 0 H ARG A 136 9.991 -21.771 -3.430 1.00 0.00 H new ATOM 0 HA ARG A 136 10.090 -22.104 -5.658 1.00 0.00 H new ATOM 0 HB2 ARG A 136 12.319 -23.387 -5.106 1.00 0.00 H new ATOM 0 HB3 ARG A 136 11.349 -24.831 -5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 136 10.999 -22.890 -7.506 1.00 0.00 H new ATOM 0 HG3 ARG A 136 12.658 -23.428 -7.328 1.00 0.00 H new ATOM 0 HD2 ARG A 136 12.150 -25.645 -7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 136 10.508 -25.519 -7.214 1.00 0.00 H new ATOM 0 HE ARG A 136 9.814 -25.008 -9.362 1.00 0.00 H new ATOM 0 HH11 ARG A 136 13.224 -24.169 -8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 136 13.412 -23.696 -10.681 1.00 0.00 H new ATOM 0 HH21 ARG A 136 10.064 -24.398 -11.534 1.00 0.00 H new ATOM 0 HH22 ARG A 136 11.631 -23.825 -12.115 1.00 0.00 H new ATOM 2009 N ASP A 137 8.035 -23.822 -4.342 1.00 0.00 N ATOM 2010 CA ASP A 137 6.795 -24.585 -4.425 1.00 0.00 C ATOM 2011 C ASP A 137 5.619 -23.675 -4.767 1.00 0.00 C ATOM 2012 O ASP A 137 5.807 -22.514 -5.130 1.00 0.00 O ATOM 2013 CB ASP A 137 6.531 -25.313 -3.103 1.00 0.00 C ATOM 2014 CG ASP A 137 5.802 -24.451 -2.090 1.00 0.00 C ATOM 2015 OD1 ASP A 137 6.181 -23.270 -1.934 1.00 0.00 O ATOM 2016 OD2 ASP A 137 4.852 -24.956 -1.455 1.00 0.00 O ATOM 0 H ASP A 137 8.128 -23.258 -3.497 1.00 0.00 H new ATOM 0 HA ASP A 137 6.901 -25.322 -5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 137 5.944 -26.210 -3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 137 7.480 -25.640 -2.678 1.00 0.00 H new ATOM 2021 N ASN A 138 4.409 -24.211 -4.653 1.00 0.00 N ATOM 2022 CA ASN A 138 3.207 -23.451 -4.952 1.00 0.00 C ATOM 2023 C ASN A 138 2.924 -22.413 -3.869 1.00 0.00 C ATOM 2024 O ASN A 138 1.835 -22.383 -3.296 1.00 0.00 O ATOM 2025 CB ASN A 138 2.008 -24.392 -5.097 1.00 0.00 C ATOM 2026 CG ASN A 138 2.412 -25.777 -5.563 1.00 0.00 C ATOM 2027 OD1 ASN A 138 3.004 -25.937 -6.631 1.00 0.00 O ATOM 2028 ND2 ASN A 138 2.095 -26.787 -4.762 1.00 0.00 N ATOM 0 H ASN A 138 4.237 -25.171 -4.355 1.00 0.00 H new ATOM 0 HA ASN A 138 3.369 -22.926 -5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 138 1.493 -24.470 -4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 138 1.299 -23.966 -5.807 1.00 0.00 H new ATOM 0 HD21 ASN A 138 2.342 -27.742 -5.023 1.00 0.00 H new ATOM 0 HD22 ASN A 138 1.604 -26.608 -3.886 1.00 0.00 H new ATOM 2035 N MET A 139 3.909 -21.563 -3.592 1.00 0.00 N ATOM 2036 CA MET A 139 3.760 -20.526 -2.579 1.00 0.00 C ATOM 2037 C MET A 139 4.885 -19.501 -2.678 1.00 0.00 C ATOM 2038 O MET A 139 6.030 -19.785 -2.326 1.00 0.00 O ATOM 2039 CB MET A 139 3.743 -21.148 -1.181 1.00 0.00 C ATOM 2040 CG MET A 139 2.895 -20.377 -0.183 1.00 0.00 C ATOM 2041 SD MET A 139 3.001 -21.050 1.486 1.00 0.00 S ATOM 2042 CE MET A 139 1.511 -20.378 2.218 1.00 0.00 C ATOM 0 H MET A 139 4.818 -21.573 -4.055 1.00 0.00 H new ATOM 0 HA MET A 139 2.813 -20.016 -2.755 1.00 0.00 H new ATOM 0 HB2 MET A 139 3.368 -22.169 -1.251 1.00 0.00 H new ATOM 0 HB3 MET A 139 4.765 -21.208 -0.807 1.00 0.00 H new ATOM 0 HG2 MET A 139 3.213 -19.335 -0.171 1.00 0.00 H new ATOM 0 HG3 MET A 139 1.855 -20.389 -0.510 1.00 0.00 H new ATOM 0 HE1 MET A 139 1.435 -20.707 3.255 1.00 0.00 H new ATOM 0 HE2 MET A 139 1.548 -19.289 2.184 1.00 0.00 H new ATOM 0 HE3 MET A 139 0.642 -20.729 1.661 1.00 0.00 H new ATOM 2052 N LYS A 140 4.551 -18.309 -3.160 1.00 0.00 N ATOM 2053 CA LYS A 140 5.534 -17.240 -3.307 1.00 0.00 C ATOM 2054 C LYS A 140 5.519 -16.320 -2.090 1.00 0.00 C ATOM 2055 O LYS A 140 4.460 -15.868 -1.653 1.00 0.00 O ATOM 2056 CB LYS A 140 5.255 -16.433 -4.576 1.00 0.00 C ATOM 2057 CG LYS A 140 3.795 -16.047 -4.744 1.00 0.00 C ATOM 2058 CD LYS A 140 3.049 -17.053 -5.605 1.00 0.00 C ATOM 2059 CE LYS A 140 2.095 -16.364 -6.567 1.00 0.00 C ATOM 2060 NZ LYS A 140 2.803 -15.821 -7.760 1.00 0.00 N ATOM 0 H LYS A 140 3.608 -18.058 -3.456 1.00 0.00 H new ATOM 0 HA LYS A 140 6.522 -17.694 -3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 140 5.862 -15.528 -4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 140 5.570 -17.014 -5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 140 3.320 -15.981 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 140 3.729 -15.058 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 140 3.764 -17.653 -6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 140 2.491 -17.738 -4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 140 1.331 -17.072 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 140 1.581 -15.554 -6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 2.117 -15.359 -8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 3.515 -15.127 -7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 3.272 -16.597 -8.268 1.00 0.00 H new ATOM 2074 N TRP A 141 6.701 -16.045 -1.550 1.00 0.00 N ATOM 2075 CA TRP A 141 6.823 -15.178 -0.384 1.00 0.00 C ATOM 2076 C TRP A 141 7.604 -13.912 -0.725 1.00 0.00 C ATOM 2077 O TRP A 141 8.350 -13.874 -1.704 1.00 0.00 O ATOM 2078 CB TRP A 141 7.511 -15.923 0.761 1.00 0.00 C ATOM 2079 CG TRP A 141 8.945 -16.252 0.480 1.00 0.00 C ATOM 2080 CD1 TRP A 141 9.442 -17.445 0.045 1.00 0.00 C ATOM 2081 CD2 TRP A 141 10.067 -15.373 0.618 1.00 0.00 C ATOM 2082 NE1 TRP A 141 10.806 -17.363 -0.099 1.00 0.00 N ATOM 2083 CE2 TRP A 141 11.213 -16.101 0.247 1.00 0.00 C ATOM 2084 CE3 TRP A 141 10.214 -14.042 1.018 1.00 0.00 C ATOM 2085 CZ2 TRP A 141 12.488 -15.542 0.265 1.00 0.00 C ATOM 2086 CZ3 TRP A 141 11.481 -13.489 1.034 1.00 0.00 C ATOM 2087 CH2 TRP A 141 12.602 -14.238 0.660 1.00 0.00 C ATOM 0 H TRP A 141 7.587 -16.409 -1.900 1.00 0.00 H new ATOM 0 HA TRP A 141 5.820 -14.890 -0.070 1.00 0.00 H new ATOM 0 HB2 TRP A 141 7.456 -15.316 1.665 1.00 0.00 H new ATOM 0 HB3 TRP A 141 6.967 -16.846 0.963 1.00 0.00 H new ATOM 0 HD1 TRP A 141 8.850 -18.326 -0.157 1.00 0.00 H new ATOM 0 HE1 TRP A 141 11.416 -18.118 -0.412 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.354 -13.457 1.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 13.355 -16.117 -0.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 11.608 -12.461 1.340 1.00 0.00 H new ATOM 0 HH2 TRP A 141 13.578 -13.776 0.684 1.00 0.00 H new ATOM 2098 N CYS A 142 7.424 -12.877 0.090 1.00 0.00 N ATOM 2099 CA CYS A 142 8.110 -11.608 -0.123 1.00 0.00 C ATOM 2100 C CYS A 142 8.549 -10.999 1.201 1.00 0.00 C ATOM 2101 O CYS A 142 8.160 -11.468 2.272 1.00 0.00 O ATOM 2102 CB CYS A 142 7.199 -10.628 -0.861 1.00 0.00 C ATOM 2103 SG CYS A 142 5.583 -10.368 -0.060 1.00 0.00 S ATOM 0 H CYS A 142 6.809 -12.893 0.904 1.00 0.00 H new ATOM 0 HA CYS A 142 8.995 -11.803 -0.729 1.00 0.00 H new ATOM 0 HB2 CYS A 142 7.709 -9.668 -0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 142 7.035 -10.993 -1.875 1.00 0.00 H new ATOM 2108 N GLY A 143 9.352 -9.946 1.121 1.00 0.00 N ATOM 2109 CA GLY A 143 9.821 -9.283 2.321 1.00 0.00 C ATOM 2110 C GLY A 143 8.751 -8.410 2.943 1.00 0.00 C ATOM 2111 O GLY A 143 8.178 -7.550 2.274 1.00 0.00 O ATOM 0 H GLY A 143 9.686 -9.540 0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.145 -10.031 3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.692 -8.673 2.081 1.00 0.00 H new ATOM 2115 N THR A 144 8.480 -8.628 4.224 1.00 0.00 N ATOM 2116 CA THR A 144 7.469 -7.850 4.927 1.00 0.00 C ATOM 2117 C THR A 144 7.977 -6.445 5.236 1.00 0.00 C ATOM 2118 O THR A 144 7.257 -5.623 5.801 1.00 0.00 O ATOM 2119 CB THR A 144 7.042 -8.535 6.237 1.00 0.00 C ATOM 2120 OG1 THR A 144 8.164 -9.200 6.828 1.00 0.00 O ATOM 2121 CG2 THR A 144 5.931 -9.541 5.981 1.00 0.00 C ATOM 0 H THR A 144 8.944 -9.334 4.795 1.00 0.00 H new ATOM 0 HA THR A 144 6.604 -7.783 4.268 1.00 0.00 H new ATOM 0 HB THR A 144 6.671 -7.770 6.919 1.00 0.00 H new ATOM 0 HG1 THR A 144 7.972 -10.158 6.907 1.00 0.00 H new ATOM 0 HG21 THR A 144 5.644 -10.014 6.921 1.00 0.00 H new ATOM 0 HG22 THR A 144 5.068 -9.030 5.554 1.00 0.00 H new ATOM 0 HG23 THR A 144 6.283 -10.302 5.285 1.00 0.00 H new ATOM 2129 N THR A 145 9.222 -6.177 4.853 1.00 0.00 N ATOM 2130 CA THR A 145 9.830 -4.872 5.077 1.00 0.00 C ATOM 2131 C THR A 145 10.649 -4.451 3.862 1.00 0.00 C ATOM 2132 O THR A 145 11.189 -5.293 3.144 1.00 0.00 O ATOM 2133 CB THR A 145 10.731 -4.874 6.325 1.00 0.00 C ATOM 2134 OG1 THR A 145 11.319 -6.168 6.504 1.00 0.00 O ATOM 2135 CG2 THR A 145 9.935 -4.497 7.568 1.00 0.00 C ATOM 0 H THR A 145 9.830 -6.849 4.385 1.00 0.00 H new ATOM 0 HA THR A 145 9.021 -4.160 5.238 1.00 0.00 H new ATOM 0 HB THR A 145 11.519 -4.135 6.178 1.00 0.00 H new ATOM 0 HG1 THR A 145 12.238 -6.160 6.163 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.592 -4.505 8.437 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.513 -3.500 7.441 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.129 -5.216 7.716 1.00 0.00 H new ATOM 2143 N GLN A 146 10.729 -3.145 3.631 1.00 0.00 N ATOM 2144 CA GLN A 146 11.475 -2.610 2.494 1.00 0.00 C ATOM 2145 C GLN A 146 12.708 -3.461 2.194 1.00 0.00 C ATOM 2146 O GLN A 146 13.100 -3.617 1.038 1.00 0.00 O ATOM 2147 CB GLN A 146 11.892 -1.158 2.753 1.00 0.00 C ATOM 2148 CG GLN A 146 10.926 -0.386 3.637 1.00 0.00 C ATOM 2149 CD GLN A 146 11.343 -0.384 5.094 1.00 0.00 C ATOM 2150 OE1 GLN A 146 10.625 -0.887 5.959 1.00 0.00 O ATOM 2151 NE2 GLN A 146 12.510 0.183 5.375 1.00 0.00 N ATOM 0 H GLN A 146 10.287 -2.436 4.215 1.00 0.00 H new ATOM 0 HA GLN A 146 10.817 -2.638 1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.878 -1.151 3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 146 11.986 -0.642 1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 146 10.857 0.642 3.282 1.00 0.00 H new ATOM 0 HG3 GLN A 146 9.931 -0.822 3.548 1.00 0.00 H new ATOM 0 HE21 GLN A 146 13.073 0.588 4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 146 12.843 0.214 6.339 1.00 0.00 H new ATOM 2160 N ASN A 147 13.310 -4.013 3.242 1.00 0.00 N ATOM 2161 CA ASN A 147 14.496 -4.854 3.094 1.00 0.00 C ATOM 2162 C ASN A 147 14.364 -6.125 3.929 1.00 0.00 C ATOM 2163 O ASN A 147 14.668 -6.136 5.122 1.00 0.00 O ATOM 2164 CB ASN A 147 15.749 -4.078 3.501 1.00 0.00 C ATOM 2165 CG ASN A 147 15.763 -2.666 2.951 1.00 0.00 C ATOM 2166 OD1 ASN A 147 14.726 -2.014 2.855 1.00 0.00 O ATOM 2167 ND2 ASN A 147 16.947 -2.186 2.585 1.00 0.00 N ATOM 0 H ASN A 147 12.997 -3.894 4.205 1.00 0.00 H new ATOM 0 HA ASN A 147 14.586 -5.141 2.046 1.00 0.00 H new ATOM 0 HB2 ASN A 147 15.812 -4.041 4.589 1.00 0.00 H new ATOM 0 HB3 ASN A 147 16.632 -4.610 3.148 1.00 0.00 H new ATOM 0 HD21 ASN A 147 17.020 -1.241 2.207 1.00 0.00 H new ATOM 0 HD22 ASN A 147 17.783 -2.762 2.682 1.00 0.00 H new ATOM 2174 N TYR A 148 13.897 -7.193 3.287 1.00 0.00 N ATOM 2175 CA TYR A 148 13.705 -8.477 3.954 1.00 0.00 C ATOM 2176 C TYR A 148 14.975 -8.934 4.669 1.00 0.00 C ATOM 2177 O TYR A 148 15.013 -9.007 5.896 1.00 0.00 O ATOM 2178 CB TYR A 148 13.265 -9.533 2.935 1.00 0.00 C ATOM 2179 CG TYR A 148 13.584 -10.956 3.341 1.00 0.00 C ATOM 2180 CD1 TYR A 148 13.342 -11.404 4.633 1.00 0.00 C ATOM 2181 CD2 TYR A 148 14.126 -11.851 2.427 1.00 0.00 C ATOM 2182 CE1 TYR A 148 13.632 -12.704 5.003 1.00 0.00 C ATOM 2183 CE2 TYR A 148 14.418 -13.151 2.789 1.00 0.00 C ATOM 2184 CZ TYR A 148 14.169 -13.573 4.078 1.00 0.00 C ATOM 2185 OH TYR A 148 14.459 -14.867 4.442 1.00 0.00 O ATOM 0 H TYR A 148 13.643 -7.193 2.299 1.00 0.00 H new ATOM 0 HA TYR A 148 12.927 -8.352 4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 148 12.190 -9.444 2.777 1.00 0.00 H new ATOM 0 HB3 TYR A 148 13.746 -9.323 1.980 1.00 0.00 H new ATOM 0 HD1 TYR A 148 12.921 -10.726 5.360 1.00 0.00 H new ATOM 0 HD2 TYR A 148 14.322 -11.524 1.416 1.00 0.00 H new ATOM 0 HE1 TYR A 148 13.439 -13.037 6.012 1.00 0.00 H new ATOM 0 HE2 TYR A 148 14.839 -13.834 2.066 1.00 0.00 H new ATOM 0 HH TYR A 148 14.830 -15.348 3.673 1.00 0.00 H new ATOM 2195 N ASP A 149 16.008 -9.249 3.895 1.00 0.00 N ATOM 2196 CA ASP A 149 17.274 -9.709 4.460 1.00 0.00 C ATOM 2197 C ASP A 149 17.819 -8.711 5.477 1.00 0.00 C ATOM 2198 O ASP A 149 18.692 -9.043 6.279 1.00 0.00 O ATOM 2199 CB ASP A 149 18.299 -9.940 3.349 1.00 0.00 C ATOM 2200 CG ASP A 149 19.723 -9.988 3.869 1.00 0.00 C ATOM 2201 OD1 ASP A 149 20.303 -8.908 4.112 1.00 0.00 O ATOM 2202 OD2 ASP A 149 20.258 -11.104 4.033 1.00 0.00 O ATOM 0 H ASP A 149 15.995 -9.195 2.877 1.00 0.00 H new ATOM 0 HA ASP A 149 17.089 -10.652 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 149 18.071 -10.876 2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 149 18.213 -9.144 2.609 1.00 0.00 H new ATOM 2207 N ALA A 150 17.300 -7.490 5.439 1.00 0.00 N ATOM 2208 CA ALA A 150 17.736 -6.447 6.357 1.00 0.00 C ATOM 2209 C ALA A 150 16.990 -6.536 7.681 1.00 0.00 C ATOM 2210 O ALA A 150 17.470 -6.061 8.710 1.00 0.00 O ATOM 2211 CB ALA A 150 17.536 -5.081 5.723 1.00 0.00 C ATOM 0 H ALA A 150 16.576 -7.198 4.782 1.00 0.00 H new ATOM 0 HA ALA A 150 18.797 -6.590 6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 150 17.865 -4.307 6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 150 18.119 -5.017 4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 150 16.480 -4.938 5.493 1.00 0.00 H new ATOM 2217 N ASP A 151 15.809 -7.147 7.649 1.00 0.00 N ATOM 2218 CA ASP A 151 14.996 -7.296 8.849 1.00 0.00 C ATOM 2219 C ASP A 151 14.700 -8.766 9.136 1.00 0.00 C ATOM 2220 O ASP A 151 14.098 -9.097 10.158 1.00 0.00 O ATOM 2221 CB ASP A 151 13.685 -6.520 8.701 1.00 0.00 C ATOM 2222 CG ASP A 151 13.904 -5.104 8.205 1.00 0.00 C ATOM 2223 OD1 ASP A 151 14.621 -4.932 7.196 1.00 0.00 O ATOM 2224 OD2 ASP A 151 13.360 -4.166 8.825 1.00 0.00 O ATOM 0 H ASP A 151 15.395 -7.546 6.806 1.00 0.00 H new ATOM 0 HA ASP A 151 15.561 -6.891 9.689 1.00 0.00 H new ATOM 0 HB2 ASP A 151 13.030 -7.048 8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 151 13.173 -6.490 9.663 1.00 0.00 H new ATOM 2229 N GLN A 152 15.124 -9.642 8.232 1.00 0.00 N ATOM 2230 CA GLN A 152 14.900 -11.074 8.392 1.00 0.00 C ATOM 2231 C GLN A 152 13.411 -11.379 8.526 1.00 0.00 C ATOM 2232 O GLN A 152 13.011 -12.239 9.312 1.00 0.00 O ATOM 2233 CB GLN A 152 15.652 -11.596 9.618 1.00 0.00 C ATOM 2234 CG GLN A 152 17.118 -11.193 9.650 1.00 0.00 C ATOM 2235 CD GLN A 152 17.790 -11.334 8.299 1.00 0.00 C ATOM 2236 OE1 GLN A 152 17.313 -10.805 7.296 1.00 0.00 O ATOM 2237 NE2 GLN A 152 18.907 -12.052 8.266 1.00 0.00 N ATOM 0 H GLN A 152 15.625 -9.386 7.381 1.00 0.00 H new ATOM 0 HA GLN A 152 15.278 -11.578 7.502 1.00 0.00 H new ATOM 0 HB2 GLN A 152 15.162 -11.226 10.519 1.00 0.00 H new ATOM 0 HB3 GLN A 152 15.582 -12.684 9.641 1.00 0.00 H new ATOM 0 HG2 GLN A 152 17.200 -10.159 9.986 1.00 0.00 H new ATOM 0 HG3 GLN A 152 17.644 -11.808 10.380 1.00 0.00 H new ATOM 0 HE21 GLN A 152 19.268 -12.473 9.122 1.00 0.00 H new ATOM 0 HE22 GLN A 152 19.404 -12.182 7.385 1.00 0.00 H new ATOM 2246 N LYS A 153 12.596 -10.664 7.758 1.00 0.00 N ATOM 2247 CA LYS A 153 11.150 -10.852 7.791 1.00 0.00 C ATOM 2248 C LYS A 153 10.608 -11.204 6.409 1.00 0.00 C ATOM 2249 O LYS A 153 10.835 -10.480 5.440 1.00 0.00 O ATOM 2250 CB LYS A 153 10.469 -9.586 8.300 1.00 0.00 C ATOM 2251 CG LYS A 153 10.995 -9.098 9.638 1.00 0.00 C ATOM 2252 CD LYS A 153 10.746 -7.612 9.815 1.00 0.00 C ATOM 2253 CE LYS A 153 9.348 -7.237 9.366 1.00 0.00 C ATOM 2254 NZ LYS A 153 9.250 -7.100 7.887 1.00 0.00 N ATOM 0 H LYS A 153 12.913 -9.948 7.104 1.00 0.00 H new ATOM 0 HA LYS A 153 10.935 -11.680 8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 153 10.596 -8.795 7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 153 9.398 -9.772 8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 153 10.512 -9.649 10.445 1.00 0.00 H new ATOM 0 HG3 LYS A 153 12.064 -9.301 9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 153 10.881 -7.339 10.862 1.00 0.00 H new ATOM 0 HD3 LYS A 153 11.480 -7.046 9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 153 8.643 -7.996 9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 153 9.057 -6.298 9.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 8.662 -6.275 7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 10.201 -6.972 7.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 8.818 -7.957 7.487 1.00 0.00 H new ATOM 2268 N PHE A 154 9.883 -12.315 6.327 1.00 0.00 N ATOM 2269 CA PHE A 154 9.304 -12.756 5.063 1.00 0.00 C ATOM 2270 C PHE A 154 7.819 -13.060 5.226 1.00 0.00 C ATOM 2271 O PHE A 154 7.393 -13.599 6.248 1.00 0.00 O ATOM 2272 CB PHE A 154 10.038 -13.992 4.542 1.00 0.00 C ATOM 2273 CG PHE A 154 9.826 -15.218 5.385 1.00 0.00 C ATOM 2274 CD1 PHE A 154 8.763 -16.069 5.136 1.00 0.00 C ATOM 2275 CD2 PHE A 154 10.691 -15.516 6.425 1.00 0.00 C ATOM 2276 CE1 PHE A 154 8.564 -17.196 5.910 1.00 0.00 C ATOM 2277 CE2 PHE A 154 10.499 -16.642 7.202 1.00 0.00 C ATOM 2278 CZ PHE A 154 9.433 -17.484 6.944 1.00 0.00 C ATOM 0 H PHE A 154 9.683 -12.925 7.119 1.00 0.00 H new ATOM 0 HA PHE A 154 9.415 -11.949 4.339 1.00 0.00 H new ATOM 0 HB2 PHE A 154 9.706 -14.199 3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 154 11.105 -13.776 4.492 1.00 0.00 H new ATOM 0 HD1 PHE A 154 8.081 -15.849 4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 154 11.525 -14.861 6.631 1.00 0.00 H new ATOM 0 HE1 PHE A 154 7.730 -17.851 5.707 1.00 0.00 H new ATOM 0 HE2 PHE A 154 11.181 -16.864 8.010 1.00 0.00 H new ATOM 0 HZ PHE A 154 9.280 -18.365 7.550 1.00 0.00 H new ATOM 2288 N GLY A 155 7.033 -12.708 4.213 1.00 0.00 N ATOM 2289 CA GLY A 155 5.604 -12.948 4.265 1.00 0.00 C ATOM 2290 C GLY A 155 5.080 -13.628 3.016 1.00 0.00 C ATOM 2291 O GLY A 155 5.550 -13.360 1.911 1.00 0.00 O ATOM 0 H GLY A 155 7.361 -12.261 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 155 5.375 -13.565 5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 155 5.085 -11.999 4.402 1.00 0.00 H new ATOM 2295 N PHE A 156 4.100 -14.511 3.194 1.00 0.00 N ATOM 2296 CA PHE A 156 3.509 -15.230 2.071 1.00 0.00 C ATOM 2297 C PHE A 156 2.434 -14.387 1.395 1.00 0.00 C ATOM 2298 O PHE A 156 1.398 -14.089 1.991 1.00 0.00 O ATOM 2299 CB PHE A 156 2.912 -16.557 2.544 1.00 0.00 C ATOM 2300 CG PHE A 156 3.901 -17.445 3.245 1.00 0.00 C ATOM 2301 CD1 PHE A 156 4.312 -17.162 4.538 1.00 0.00 C ATOM 2302 CD2 PHE A 156 4.418 -18.563 2.610 1.00 0.00 C ATOM 2303 CE1 PHE A 156 5.221 -17.978 5.184 1.00 0.00 C ATOM 2304 CE2 PHE A 156 5.326 -19.383 3.252 1.00 0.00 C ATOM 2305 CZ PHE A 156 5.729 -19.089 4.541 1.00 0.00 C ATOM 0 H PHE A 156 3.700 -14.744 4.103 1.00 0.00 H new ATOM 0 HA PHE A 156 4.297 -15.434 1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 156 2.079 -16.352 3.217 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.504 -17.089 1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 156 3.918 -16.294 5.046 1.00 0.00 H new ATOM 0 HD2 PHE A 156 4.108 -18.796 1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 156 5.534 -17.747 6.191 1.00 0.00 H new ATOM 0 HE2 PHE A 156 5.720 -20.253 2.747 1.00 0.00 H new ATOM 0 HZ PHE A 156 6.440 -19.727 5.044 1.00 0.00 H new ATOM 2315 N CYS A 157 2.687 -14.003 0.149 1.00 0.00 N ATOM 2316 CA CYS A 157 1.743 -13.190 -0.607 1.00 0.00 C ATOM 2317 C CYS A 157 0.763 -14.069 -1.379 1.00 0.00 C ATOM 2318 O CYS A 157 0.841 -15.296 -1.329 1.00 0.00 O ATOM 2319 CB CYS A 157 2.493 -12.269 -1.573 1.00 0.00 C ATOM 2320 SG CYS A 157 2.892 -13.033 -3.180 1.00 0.00 S ATOM 0 H CYS A 157 3.539 -14.242 -0.359 1.00 0.00 H new ATOM 0 HA CYS A 157 1.177 -12.582 0.099 1.00 0.00 H new ATOM 0 HB2 CYS A 157 1.891 -11.377 -1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 157 3.419 -11.942 -1.100 1.00 0.00 H new ATOM 2325 N PRO A 158 -0.177 -13.444 -2.104 1.00 0.00 N ATOM 2326 CA PRO A 158 -1.182 -14.166 -2.892 1.00 0.00 C ATOM 2327 C PRO A 158 -0.551 -15.110 -3.910 1.00 0.00 C ATOM 2328 O PRO A 158 0.665 -15.302 -3.922 1.00 0.00 O ATOM 2329 CB PRO A 158 -1.953 -13.050 -3.604 1.00 0.00 C ATOM 2330 CG PRO A 158 -1.715 -11.831 -2.779 1.00 0.00 C ATOM 2331 CD PRO A 158 -0.333 -11.984 -2.212 1.00 0.00 C ATOM 0 HA PRO A 158 -1.809 -14.800 -2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -1.596 -12.912 -4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -3.016 -13.283 -3.667 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -1.791 -10.928 -3.385 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -2.456 -11.746 -1.985 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.422 -11.545 -2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -0.239 -11.496 -1.242 1.00 0.00 H new ATOM 2339 N MET A 159 -1.385 -15.696 -4.762 1.00 0.00 N ATOM 2340 CA MET A 159 -0.909 -16.620 -5.784 1.00 0.00 C ATOM 2341 C MET A 159 -0.843 -15.939 -7.147 1.00 0.00 C ATOM 2342 O MET A 159 -0.267 -16.475 -8.093 1.00 0.00 O ATOM 2343 CB MET A 159 -1.820 -17.847 -5.857 1.00 0.00 C ATOM 2344 CG MET A 159 -3.227 -17.531 -6.339 1.00 0.00 C ATOM 2345 SD MET A 159 -3.654 -18.409 -7.856 1.00 0.00 S ATOM 2346 CE MET A 159 -3.490 -17.096 -9.063 1.00 0.00 C ATOM 0 H MET A 159 -2.394 -15.547 -4.765 1.00 0.00 H new ATOM 0 HA MET A 159 0.096 -16.939 -5.509 1.00 0.00 H new ATOM 0 HB2 MET A 159 -1.372 -18.583 -6.525 1.00 0.00 H new ATOM 0 HB3 MET A 159 -1.877 -18.306 -4.870 1.00 0.00 H new ATOM 0 HG2 MET A 159 -3.942 -17.793 -5.559 1.00 0.00 H new ATOM 0 HG3 MET A 159 -3.317 -16.458 -6.507 1.00 0.00 H new ATOM 0 HE1 MET A 159 -3.529 -17.518 -10.067 1.00 0.00 H new ATOM 0 HE2 MET A 159 -4.304 -16.383 -8.937 1.00 0.00 H new ATOM 0 HE3 MET A 159 -2.537 -16.587 -8.920 1.00 0.00 H new ATOM 2356 N ALA A 160 -1.437 -14.753 -7.240 1.00 0.00 N ATOM 2357 CA ALA A 160 -1.446 -14.000 -8.488 1.00 0.00 C ATOM 2358 C ALA A 160 -0.574 -12.754 -8.383 1.00 0.00 C ATOM 2359 O ALA A 160 0.569 -12.872 -7.896 1.00 0.00 O ATOM 2360 CB ALA A 160 -2.870 -13.619 -8.864 1.00 0.00 C ATOM 2361 OXT ALA A 160 -1.041 -11.668 -8.789 1.00 0.00 O ATOM 0 H ALA A 160 -1.918 -14.294 -6.466 1.00 0.00 H new ATOM 0 HA ALA A 160 -1.033 -14.636 -9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 160 -2.862 -13.057 -9.798 1.00 0.00 H new ATOM 0 HB2 ALA A 160 -3.467 -14.522 -8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 160 -3.303 -13.004 -8.075 1.00 0.00 H new TER 2367 ALA A 160 HETATM 2368 C1 NAG A 161 17.605 -1.284 -1.953 1.00 0.00 C HETATM 2369 C2 NAG A 161 19.003 -0.929 -1.481 1.00 0.00 C HETATM 2370 C3 NAG A 161 18.913 0.221 -0.484 1.00 0.00 C HETATM 2371 C4 NAG A 161 18.261 1.456 -1.148 1.00 0.00 C HETATM 2372 C5 NAG A 161 16.829 1.020 -1.635 1.00 0.00 C HETATM 2373 C6 NAG A 161 16.098 2.154 -2.372 1.00 0.00 C HETATM 2374 C7 NAG A 161 20.888 -2.449 -1.221 1.00 0.00 C HETATM 2375 C8 NAG A 161 21.450 -3.665 -0.488 1.00 0.00 C HETATM 2376 N2 NAG A 161 19.665 -2.071 -0.867 1.00 0.00 N HETATM 2377 O3 NAG A 161 20.215 0.562 -0.036 1.00 0.00 O HETATM 2378 O4 NAG A 161 18.210 2.491 -0.174 1.00 0.00 O HETATM 2379 O5 NAG A 161 16.974 -0.121 -2.526 1.00 0.00 O HETATM 2380 O6 NAG A 161 16.464 2.115 -3.750 1.00 0.00 O HETATM 2381 O7 NAG A 161 21.541 -1.866 -2.086 1.00 0.00 O HETATM 0 HO6 NAG A 161 16.887 1.254 -3.952 1.00 0.00 H new HETATM 0 HO4 NAG A 161 18.111 3.357 -0.622 1.00 0.00 H new HETATM 0 HO3 NAG A 161 20.229 1.501 0.246 1.00 0.00 H new HETATM 0 HN2 NAG A 161 19.175 -2.597 -0.143 1.00 0.00 H new HETATM 0 H83 NAG A 161 21.495 -3.457 0.581 1.00 0.00 H new HETATM 0 H82 NAG A 161 20.805 -4.526 -0.663 1.00 0.00 H new HETATM 0 H81 NAG A 161 22.452 -3.882 -0.858 1.00 0.00 H new HETATM 0 H62 NAG A 161 15.019 2.041 -2.264 1.00 0.00 H new HETATM 0 H61 NAG A 161 16.362 3.118 -1.938 1.00 0.00 H new HETATM 0 H5 NAG A 161 16.232 0.762 -0.760 1.00 0.00 H new HETATM 0 H4 NAG A 161 18.820 1.827 -2.007 1.00 0.00 H new HETATM 0 H3 NAG A 161 18.301 -0.093 0.362 1.00 0.00 H new HETATM 0 H2 NAG A 161 19.597 -0.631 -2.345 1.00 0.00 H new