USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 968 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 54 HIS HE2 : A 54 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 89 HIS HE2 : A 89 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 113 HIS HE2 : A 113 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD NoAdj-H: A 118 HIS HE2 : A 118 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD Set 1.1: A 96 LYS NZ :NH3+ 160:sc= 0.988 (180deg=0.404) USER MOD Set 1.2: A 103 GLN :FLIP amide:sc= -0.132 F(o=-1.5,f=0.86) USER MOD Set 2.1: A 93 MET CE :methyl -169:sc= -3.62! (180deg=-4.71!) USER MOD Set 2.2: A 105 MET CE :methyl 147:sc= -2.34 (180deg=-1.9) USER MOD Set 3.1: A 58 ASN : amide:sc= -1.62! C(o=-1.5!,f=-6.7!) USER MOD Set 3.2: A 61 ASN : amide:sc= 0.0842 X(o=-1.5,f=-1.6) USER MOD Set 4.1: A 43 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0176) USER MOD Set 4.2: A 44 CYS SG : rot 160:sc=-0.000844 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 89:sc= 0.0924 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 150:sc= -0.148 (180deg=-0.804) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -5.72! C(o=-5.7!,f=-9.5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -52:sc= 1.22 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 0.319 (180deg=0.28) USER MOD Single : A 45 TYR OH : rot 150:sc= -0.256 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 60 MET CE :methyl 171:sc= -1.32 (180deg=-1.49) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00245 K(o=-0.0024,f=-1.1) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.12) USER MOD Single : A 75 THR OG1 : rot 36:sc= 0.0675 USER MOD Single : A 80 MET CE :methyl -150:sc= -1.9 (180deg=-3.48!) USER MOD Single : A 86 MET CE :methyl 153:sc= -4.83! (180deg=-8.7!) USER MOD Single : A 88 SER OG : rot -74:sc= 1.19 USER MOD Single : A 90 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.766 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -4:sc= 0.538 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 106 GLN : amide:sc= -0.0256 X(o=-0.026,f=-0.3) USER MOD Single : A 107 LYS NZ :NH3+ 155:sc= -0.102 (180deg=-0.623) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.352 K(o=-0.35,f=-1.3!) USER MOD Single : A 112 SER OG : rot 180:sc=-0.000854 USER MOD Single : A 114 MET CE :methyl -116:sc= -0.157 (180deg=-1.2) USER MOD Single : A 116 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.165) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0.0892 USER MOD Single : A 123 SER OG : rot 17:sc= 0.0243 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.980 -27.736 23.019 1.00 0.00 N ATOM 2 CA GLY A 1 -7.358 -26.425 23.057 1.00 0.00 C ATOM 3 C GLY A 1 -6.790 -26.093 24.422 1.00 0.00 C ATOM 4 O GLY A 1 -7.480 -26.209 25.435 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.353 -27.916 22.065 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.275 -28.462 23.258 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.759 -27.771 23.707 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.561 -26.383 22.315 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.093 -25.669 22.779 1.00 0.00 H new ATOM 8 N SER A 2 -5.527 -25.680 24.451 1.00 0.00 N ATOM 9 CA SER A 2 -4.863 -25.335 25.703 1.00 0.00 C ATOM 10 C SER A 2 -5.240 -23.925 26.147 1.00 0.00 C ATOM 11 O SER A 2 -5.913 -23.193 25.422 1.00 0.00 O ATOM 12 CB SER A 2 -3.345 -25.444 25.547 1.00 0.00 C ATOM 13 OG SER A 2 -2.704 -25.480 26.811 1.00 0.00 O ATOM 0 H SER A 2 -4.943 -25.576 23.621 1.00 0.00 H new ATOM 0 HA SER A 2 -5.194 -26.039 26.467 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.098 -26.344 24.984 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.974 -24.596 24.971 1.00 0.00 H new ATOM 0 HG SER A 2 -1.735 -25.552 26.684 1.00 0.00 H new ATOM 19 N SER A 3 -4.801 -23.551 27.345 1.00 0.00 N ATOM 20 CA SER A 3 -5.095 -22.231 27.889 1.00 0.00 C ATOM 21 C SER A 3 -4.401 -21.142 27.076 1.00 0.00 C ATOM 22 O SER A 3 -5.050 -20.251 26.530 1.00 0.00 O ATOM 23 CB SER A 3 -4.656 -22.149 29.352 1.00 0.00 C ATOM 24 OG SER A 3 -5.381 -23.064 30.154 1.00 0.00 O ATOM 0 H SER A 3 -4.240 -24.144 27.957 1.00 0.00 H new ATOM 0 HA SER A 3 -6.172 -22.073 27.831 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.589 -22.361 29.427 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.807 -21.136 29.724 1.00 0.00 H new ATOM 0 HG SER A 3 -5.081 -22.993 31.084 1.00 0.00 H new ATOM 30 N GLY A 4 -3.076 -21.221 27.002 1.00 0.00 N ATOM 31 CA GLY A 4 -2.315 -20.237 26.255 1.00 0.00 C ATOM 32 C GLY A 4 -1.581 -19.264 27.157 1.00 0.00 C ATOM 33 O GLY A 4 -1.849 -19.198 28.357 1.00 0.00 O ATOM 0 H GLY A 4 -2.516 -21.949 27.446 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.595 -20.748 25.615 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.987 -19.683 25.600 1.00 0.00 H new ATOM 37 N SER A 5 -0.653 -18.509 26.580 1.00 0.00 N ATOM 38 CA SER A 5 0.126 -17.539 27.341 1.00 0.00 C ATOM 39 C SER A 5 -0.637 -16.226 27.488 1.00 0.00 C ATOM 40 O SER A 5 -1.711 -16.051 26.912 1.00 0.00 O ATOM 41 CB SER A 5 1.472 -17.287 26.660 1.00 0.00 C ATOM 42 OG SER A 5 2.317 -18.420 26.765 1.00 0.00 O ATOM 0 H SER A 5 -0.422 -18.550 25.587 1.00 0.00 H new ATOM 0 HA SER A 5 0.302 -17.950 28.335 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.312 -17.045 25.609 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.958 -16.424 27.115 1.00 0.00 H new ATOM 0 HG SER A 5 3.170 -18.234 26.320 1.00 0.00 H new ATOM 48 N SER A 6 -0.073 -15.305 28.263 1.00 0.00 N ATOM 49 CA SER A 6 -0.700 -14.008 28.489 1.00 0.00 C ATOM 50 C SER A 6 -0.663 -13.158 27.223 1.00 0.00 C ATOM 51 O SER A 6 -1.700 -12.733 26.716 1.00 0.00 O ATOM 52 CB SER A 6 0.001 -13.271 29.632 1.00 0.00 C ATOM 53 OG SER A 6 0.051 -14.072 30.800 1.00 0.00 O ATOM 0 H SER A 6 0.817 -15.433 28.745 1.00 0.00 H new ATOM 0 HA SER A 6 -1.742 -14.179 28.761 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.013 -13.001 29.329 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.526 -12.341 29.847 1.00 0.00 H new ATOM 0 HG SER A 6 0.505 -13.579 31.515 1.00 0.00 H new ATOM 59 N GLY A 7 0.542 -12.913 26.717 1.00 0.00 N ATOM 60 CA GLY A 7 0.694 -12.115 25.515 1.00 0.00 C ATOM 61 C GLY A 7 0.230 -10.684 25.706 1.00 0.00 C ATOM 62 O GLY A 7 -0.003 -10.245 26.832 1.00 0.00 O ATOM 0 H GLY A 7 1.416 -13.253 27.119 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.741 -12.117 25.212 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.126 -12.573 24.705 1.00 0.00 H new ATOM 66 N VAL A 8 0.098 -9.954 24.603 1.00 0.00 N ATOM 67 CA VAL A 8 -0.340 -8.564 24.655 1.00 0.00 C ATOM 68 C VAL A 8 -1.860 -8.469 24.719 1.00 0.00 C ATOM 69 O VAL A 8 -2.554 -9.484 24.760 1.00 0.00 O ATOM 70 CB VAL A 8 0.162 -7.772 23.433 1.00 0.00 C ATOM 71 CG1 VAL A 8 1.682 -7.715 23.421 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.367 -8.386 22.146 1.00 0.00 C ATOM 0 H VAL A 8 0.288 -10.302 23.663 1.00 0.00 H new ATOM 0 HA VAL A 8 0.086 -8.131 25.560 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.215 -6.752 23.503 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.018 -7.152 22.551 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.035 -7.225 24.329 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.084 -8.727 23.375 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.002 -7.814 21.293 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.022 -9.417 22.066 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.457 -8.368 22.156 1.00 0.00 H new ATOM 82 N GLU A 9 -2.371 -7.241 24.727 1.00 0.00 N ATOM 83 CA GLU A 9 -3.810 -7.014 24.786 1.00 0.00 C ATOM 84 C GLU A 9 -4.192 -5.747 24.026 1.00 0.00 C ATOM 85 O GLU A 9 -3.519 -4.721 24.128 1.00 0.00 O ATOM 86 CB GLU A 9 -4.272 -6.908 26.241 1.00 0.00 C ATOM 87 CG GLU A 9 -5.735 -6.525 26.388 1.00 0.00 C ATOM 88 CD GLU A 9 -6.285 -6.840 27.766 1.00 0.00 C ATOM 89 OE1 GLU A 9 -6.708 -7.994 27.986 1.00 0.00 O ATOM 90 OE2 GLU A 9 -6.292 -5.932 28.623 1.00 0.00 O ATOM 0 H GLU A 9 -1.810 -6.390 24.693 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.306 -7.863 24.315 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.104 -7.864 26.738 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.658 -6.169 26.756 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.849 -5.459 26.190 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.322 -7.053 25.637 1.00 0.00 H new ATOM 97 N CYS A 10 -5.277 -5.827 23.263 1.00 0.00 N ATOM 98 CA CYS A 10 -5.750 -4.689 22.484 1.00 0.00 C ATOM 99 C CYS A 10 -6.662 -3.798 23.322 1.00 0.00 C ATOM 100 O CYS A 10 -7.741 -4.203 23.755 1.00 0.00 O ATOM 101 CB CYS A 10 -6.495 -5.171 21.238 1.00 0.00 C ATOM 102 SG CYS A 10 -7.208 -3.830 20.232 1.00 0.00 S ATOM 0 H CYS A 10 -5.845 -6.669 23.168 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.882 -4.105 22.177 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.809 -5.750 20.619 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -7.295 -5.845 21.544 1.00 0.00 H new ATOM 107 N PRO A 11 -6.220 -2.553 23.557 1.00 0.00 N ATOM 108 CA PRO A 11 -6.982 -1.578 24.344 1.00 0.00 C ATOM 109 C PRO A 11 -8.236 -1.101 23.620 1.00 0.00 C ATOM 110 O PRO A 11 -8.942 -0.213 24.098 1.00 0.00 O ATOM 111 CB PRO A 11 -5.996 -0.421 24.524 1.00 0.00 C ATOM 112 CG PRO A 11 -5.065 -0.532 23.367 1.00 0.00 C ATOM 113 CD PRO A 11 -4.944 -2.002 23.072 1.00 0.00 C ATOM 0 HA PRO A 11 -7.340 -2.002 25.282 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.510 0.540 24.527 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.462 -0.500 25.471 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.450 0.009 22.503 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.093 -0.101 23.606 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.805 -2.188 22.007 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.093 -2.447 23.587 1.00 0.00 H new ATOM 121 N THR A 12 -8.508 -1.697 22.463 1.00 0.00 N ATOM 122 CA THR A 12 -9.677 -1.332 21.672 1.00 0.00 C ATOM 123 C THR A 12 -10.794 -2.356 21.838 1.00 0.00 C ATOM 124 O THR A 12 -11.932 -2.003 22.148 1.00 0.00 O ATOM 125 CB THR A 12 -9.327 -1.208 20.177 1.00 0.00 C ATOM 126 OG1 THR A 12 -8.071 -0.539 20.021 1.00 0.00 O ATOM 127 CG2 THR A 12 -10.411 -0.446 19.429 1.00 0.00 C ATOM 0 H THR A 12 -7.935 -2.434 22.053 1.00 0.00 H new ATOM 0 HA THR A 12 -10.018 -0.364 22.039 1.00 0.00 H new ATOM 0 HB THR A 12 -9.257 -2.212 19.759 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.345 -1.197 20.037 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.142 -0.371 18.375 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.359 -0.975 19.525 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.509 0.554 19.850 1.00 0.00 H new ATOM 135 N CYS A 13 -10.462 -3.626 21.630 1.00 0.00 N ATOM 136 CA CYS A 13 -11.437 -4.702 21.757 1.00 0.00 C ATOM 137 C CYS A 13 -11.003 -5.707 22.821 1.00 0.00 C ATOM 138 O CYS A 13 -11.593 -6.780 22.954 1.00 0.00 O ATOM 139 CB CYS A 13 -11.621 -5.412 20.414 1.00 0.00 C ATOM 140 SG CYS A 13 -10.096 -6.153 19.749 1.00 0.00 S ATOM 0 H CYS A 13 -9.525 -3.935 21.373 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.387 -4.264 22.062 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.372 -6.194 20.528 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.012 -4.698 19.689 1.00 0.00 H new ATOM 145 N HIS A 14 -9.970 -5.350 23.577 1.00 0.00 N ATOM 146 CA HIS A 14 -9.457 -6.220 24.630 1.00 0.00 C ATOM 147 C HIS A 14 -9.059 -7.580 24.065 1.00 0.00 C ATOM 148 O HIS A 14 -9.043 -8.581 24.782 1.00 0.00 O ATOM 149 CB HIS A 14 -10.505 -6.398 25.729 1.00 0.00 C ATOM 150 CG HIS A 14 -10.887 -5.117 26.406 1.00 0.00 C ATOM 151 ND1 HIS A 14 -9.961 -4.227 26.909 1.00 0.00 N ATOM 152 CD2 HIS A 14 -12.102 -4.578 26.660 1.00 0.00 C ATOM 153 CE1 HIS A 14 -10.591 -3.197 27.445 1.00 0.00 C ATOM 154 NE2 HIS A 14 -11.891 -3.385 27.306 1.00 0.00 N ATOM 0 H HIS A 14 -9.472 -4.465 23.481 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.571 -5.750 25.056 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.398 -6.852 25.298 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.122 -7.094 26.476 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.059 -5.006 26.403 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.123 -2.346 27.917 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.620 -2.747 27.627 1.00 0.00 H new ATOM 162 N LYS A 15 -8.738 -7.609 22.776 1.00 0.00 N ATOM 163 CA LYS A 15 -8.339 -8.846 22.115 1.00 0.00 C ATOM 164 C LYS A 15 -6.846 -9.102 22.294 1.00 0.00 C ATOM 165 O LYS A 15 -6.011 -8.376 21.753 1.00 0.00 O ATOM 166 CB LYS A 15 -8.681 -8.784 20.624 1.00 0.00 C ATOM 167 CG LYS A 15 -8.340 -10.057 19.869 1.00 0.00 C ATOM 168 CD LYS A 15 -9.019 -10.098 18.510 1.00 0.00 C ATOM 169 CE LYS A 15 -8.928 -11.481 17.883 1.00 0.00 C ATOM 170 NZ LYS A 15 -9.183 -11.443 16.417 1.00 0.00 N ATOM 0 H LYS A 15 -8.746 -6.790 22.168 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.888 -9.668 22.575 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.746 -8.579 20.512 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.146 -7.949 20.171 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.260 -10.126 19.739 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.647 -10.923 20.456 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.066 -9.814 18.616 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.556 -9.366 17.848 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.939 -11.900 18.069 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.650 -12.144 18.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.112 -12.405 16.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.137 -11.067 16.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.479 -10.830 15.958 1.00 0.00 H new ATOM 184 N LYS A 16 -6.515 -10.138 23.057 1.00 0.00 N ATOM 185 CA LYS A 16 -5.123 -10.493 23.306 1.00 0.00 C ATOM 186 C LYS A 16 -4.574 -11.366 22.182 1.00 0.00 C ATOM 187 O LYS A 16 -5.332 -12.020 21.465 1.00 0.00 O ATOM 188 CB LYS A 16 -4.993 -11.223 24.644 1.00 0.00 C ATOM 189 CG LYS A 16 -5.242 -10.333 25.850 1.00 0.00 C ATOM 190 CD LYS A 16 -4.487 -10.826 27.073 1.00 0.00 C ATOM 191 CE LYS A 16 -5.193 -10.431 28.361 1.00 0.00 C ATOM 192 NZ LYS A 16 -4.652 -11.165 29.538 1.00 0.00 N ATOM 0 H LYS A 16 -7.193 -10.747 23.514 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.541 -9.572 23.344 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.698 -12.054 24.665 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.993 -11.651 24.719 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.936 -9.313 25.619 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.310 -10.304 26.068 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.389 -11.911 27.029 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.478 -10.414 27.069 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.084 -9.358 28.521 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.260 -10.632 28.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.159 -10.868 30.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.779 -12.188 29.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.639 -10.953 29.644 1.00 0.00 H new ATOM 206 N PHE A 17 -3.253 -11.375 22.037 1.00 0.00 N ATOM 207 CA PHE A 17 -2.604 -12.169 21.001 1.00 0.00 C ATOM 208 C PHE A 17 -1.358 -12.860 21.547 1.00 0.00 C ATOM 209 O PHE A 17 -1.053 -12.767 22.737 1.00 0.00 O ATOM 210 CB PHE A 17 -2.229 -11.284 19.810 1.00 0.00 C ATOM 211 CG PHE A 17 -3.417 -10.702 19.099 1.00 0.00 C ATOM 212 CD1 PHE A 17 -4.134 -9.658 19.660 1.00 0.00 C ATOM 213 CD2 PHE A 17 -3.817 -11.199 17.869 1.00 0.00 C ATOM 214 CE1 PHE A 17 -5.227 -9.119 19.009 1.00 0.00 C ATOM 215 CE2 PHE A 17 -4.910 -10.664 17.212 1.00 0.00 C ATOM 216 CZ PHE A 17 -5.616 -9.624 17.783 1.00 0.00 C ATOM 0 H PHE A 17 -2.611 -10.842 22.624 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.307 -12.933 20.670 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.590 -10.472 20.158 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.643 -11.870 19.102 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.835 -9.260 20.618 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.269 -12.013 17.418 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.776 -8.304 19.458 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.211 -11.059 16.253 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.471 -9.206 17.272 1.00 0.00 H new ATOM 226 N LEU A 18 -0.641 -13.555 20.669 1.00 0.00 N ATOM 227 CA LEU A 18 0.572 -14.263 21.062 1.00 0.00 C ATOM 228 C LEU A 18 1.691 -13.282 21.397 1.00 0.00 C ATOM 229 O LEU A 18 2.267 -13.329 22.484 1.00 0.00 O ATOM 230 CB LEU A 18 1.021 -15.205 19.943 1.00 0.00 C ATOM 231 CG LEU A 18 0.348 -16.577 19.910 1.00 0.00 C ATOM 232 CD1 LEU A 18 -1.106 -16.448 19.482 1.00 0.00 C ATOM 233 CD2 LEU A 18 1.098 -17.517 18.979 1.00 0.00 C ATOM 0 H LEU A 18 -0.879 -13.643 19.681 1.00 0.00 H new ATOM 0 HA LEU A 18 0.349 -14.849 21.954 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.843 -14.712 18.987 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.097 -15.353 20.030 1.00 0.00 H new ATOM 0 HG LEU A 18 0.374 -16.997 20.915 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.569 -17.435 19.464 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.638 -15.810 20.188 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.154 -16.007 18.487 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.604 -18.489 18.968 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.104 -17.102 17.971 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.123 -17.635 19.330 1.00 0.00 H new ATOM 245 N SER A 19 1.992 -12.393 20.456 1.00 0.00 N ATOM 246 CA SER A 19 3.044 -11.401 20.650 1.00 0.00 C ATOM 247 C SER A 19 2.594 -10.029 20.158 1.00 0.00 C ATOM 248 O SER A 19 1.530 -9.891 19.554 1.00 0.00 O ATOM 249 CB SER A 19 4.317 -11.826 19.916 1.00 0.00 C ATOM 250 OG SER A 19 5.456 -11.173 20.450 1.00 0.00 O ATOM 0 H SER A 19 1.523 -12.339 19.552 1.00 0.00 H new ATOM 0 HA SER A 19 3.254 -11.334 21.718 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.443 -12.906 19.995 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.224 -11.593 18.855 1.00 0.00 H new ATOM 0 HG SER A 19 6.257 -11.463 19.965 1.00 0.00 H new ATOM 256 N LYS A 20 3.412 -9.016 20.421 1.00 0.00 N ATOM 257 CA LYS A 20 3.102 -7.653 20.005 1.00 0.00 C ATOM 258 C LYS A 20 2.891 -7.580 18.496 1.00 0.00 C ATOM 259 O LYS A 20 1.891 -7.037 18.025 1.00 0.00 O ATOM 260 CB LYS A 20 4.226 -6.702 20.420 1.00 0.00 C ATOM 261 CG LYS A 20 3.743 -5.308 20.780 1.00 0.00 C ATOM 262 CD LYS A 20 3.206 -4.573 19.563 1.00 0.00 C ATOM 263 CE LYS A 20 2.558 -3.252 19.950 1.00 0.00 C ATOM 264 NZ LYS A 20 3.520 -2.342 20.631 1.00 0.00 N ATOM 0 H LYS A 20 4.296 -9.113 20.921 1.00 0.00 H new ATOM 0 HA LYS A 20 2.179 -7.350 20.499 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.753 -7.127 21.275 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.947 -6.628 19.606 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.963 -5.377 21.538 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.564 -4.739 21.217 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.019 -4.389 18.860 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.477 -5.200 19.050 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.166 -2.764 19.057 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.710 -3.442 20.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.263 -1.354 20.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.489 -2.509 21.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.481 -2.526 20.279 1.00 0.00 H new ATOM 278 N TYR A 21 3.838 -8.130 17.744 1.00 0.00 N ATOM 279 CA TYR A 21 3.756 -8.125 16.288 1.00 0.00 C ATOM 280 C TYR A 21 2.322 -8.361 15.822 1.00 0.00 C ATOM 281 O TYR A 21 1.733 -7.524 15.139 1.00 0.00 O ATOM 282 CB TYR A 21 4.677 -9.196 15.701 1.00 0.00 C ATOM 283 CG TYR A 21 4.295 -9.624 14.303 1.00 0.00 C ATOM 284 CD1 TYR A 21 4.367 -8.735 13.238 1.00 0.00 C ATOM 285 CD2 TYR A 21 3.861 -10.919 14.046 1.00 0.00 C ATOM 286 CE1 TYR A 21 4.018 -9.121 11.959 1.00 0.00 C ATOM 287 CE2 TYR A 21 3.510 -11.315 12.770 1.00 0.00 C ATOM 288 CZ TYR A 21 3.590 -10.413 11.730 1.00 0.00 C ATOM 289 OH TYR A 21 3.242 -10.802 10.456 1.00 0.00 O ATOM 0 H TYR A 21 4.671 -8.585 18.118 1.00 0.00 H new ATOM 0 HA TYR A 21 4.077 -7.145 15.935 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.699 -8.817 15.689 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.668 -10.069 16.354 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.702 -7.723 13.414 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.797 -11.628 14.858 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.080 -8.416 11.143 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.175 -12.325 12.588 1.00 0.00 H new ATOM 0 HH TYR A 21 2.964 -11.742 10.465 1.00 0.00 H new ATOM 299 N TYR A 22 1.767 -9.508 16.198 1.00 0.00 N ATOM 300 CA TYR A 22 0.403 -9.857 15.818 1.00 0.00 C ATOM 301 C TYR A 22 -0.556 -8.709 16.116 1.00 0.00 C ATOM 302 O TYR A 22 -1.419 -8.377 15.301 1.00 0.00 O ATOM 303 CB TYR A 22 -0.048 -11.118 16.558 1.00 0.00 C ATOM 304 CG TYR A 22 0.429 -12.400 15.915 1.00 0.00 C ATOM 305 CD1 TYR A 22 0.116 -12.696 14.594 1.00 0.00 C ATOM 306 CD2 TYR A 22 1.191 -13.317 16.629 1.00 0.00 C ATOM 307 CE1 TYR A 22 0.549 -13.867 14.003 1.00 0.00 C ATOM 308 CE2 TYR A 22 1.630 -14.489 16.045 1.00 0.00 C ATOM 309 CZ TYR A 22 1.306 -14.760 14.732 1.00 0.00 C ATOM 310 OH TYR A 22 1.739 -15.928 14.147 1.00 0.00 O ATOM 0 H TYR A 22 2.240 -10.211 16.765 1.00 0.00 H new ATOM 0 HA TYR A 22 0.390 -10.049 14.745 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.318 -11.078 17.584 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.137 -11.130 16.608 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.476 -11.999 14.020 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.444 -13.110 17.658 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.296 -14.082 12.975 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.224 -15.190 16.613 1.00 0.00 H new ATOM 0 HH TYR A 22 2.261 -16.445 14.796 1.00 0.00 H new ATOM 320 N LEU A 23 -0.399 -8.104 17.288 1.00 0.00 N ATOM 321 CA LEU A 23 -1.250 -6.991 17.695 1.00 0.00 C ATOM 322 C LEU A 23 -1.167 -5.847 16.690 1.00 0.00 C ATOM 323 O LEU A 23 -2.167 -5.470 16.078 1.00 0.00 O ATOM 324 CB LEU A 23 -0.846 -6.496 19.085 1.00 0.00 C ATOM 325 CG LEU A 23 -1.717 -5.391 19.683 1.00 0.00 C ATOM 326 CD1 LEU A 23 -3.114 -5.914 19.978 1.00 0.00 C ATOM 327 CD2 LEU A 23 -1.077 -4.833 20.946 1.00 0.00 C ATOM 0 H LEU A 23 0.310 -8.365 17.973 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.280 -7.346 17.729 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.853 -7.346 19.768 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.181 -6.135 19.036 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.799 -4.585 18.954 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.720 -5.114 20.403 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.574 -6.265 19.054 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.051 -6.738 20.688 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.710 -4.048 21.358 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.964 -5.631 21.680 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.097 -4.420 20.706 1.00 0.00 H new ATOM 339 N LYS A 24 0.031 -5.298 16.524 1.00 0.00 N ATOM 340 CA LYS A 24 0.247 -4.199 15.591 1.00 0.00 C ATOM 341 C LYS A 24 -0.486 -4.448 14.277 1.00 0.00 C ATOM 342 O LYS A 24 -1.118 -3.547 13.726 1.00 0.00 O ATOM 343 CB LYS A 24 1.743 -4.014 15.326 1.00 0.00 C ATOM 344 CG LYS A 24 2.506 -3.452 16.513 1.00 0.00 C ATOM 345 CD LYS A 24 3.946 -3.132 16.149 1.00 0.00 C ATOM 346 CE LYS A 24 4.563 -2.147 17.131 1.00 0.00 C ATOM 347 NZ LYS A 24 4.233 -0.738 16.783 1.00 0.00 N ATOM 0 H LYS A 24 0.868 -5.597 17.024 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.151 -3.290 16.042 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.176 -4.975 15.049 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.873 -3.348 14.473 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.011 -2.549 16.871 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.488 -4.171 17.332 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.532 -4.051 16.137 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.984 -2.716 15.142 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.206 -2.366 18.137 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.645 -2.275 17.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.671 -0.098 17.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.596 -0.521 15.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.201 -0.609 16.798 1.00 0.00 H new ATOM 361 N VAL A 25 -0.398 -5.678 13.780 1.00 0.00 N ATOM 362 CA VAL A 25 -1.055 -6.047 12.532 1.00 0.00 C ATOM 363 C VAL A 25 -2.571 -6.052 12.689 1.00 0.00 C ATOM 364 O VAL A 25 -3.304 -5.722 11.757 1.00 0.00 O ATOM 365 CB VAL A 25 -0.596 -7.434 12.044 1.00 0.00 C ATOM 366 CG1 VAL A 25 -1.338 -7.827 10.776 1.00 0.00 C ATOM 367 CG2 VAL A 25 0.909 -7.448 11.817 1.00 0.00 C ATOM 0 H VAL A 25 0.122 -6.436 14.223 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.772 -5.298 11.793 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.831 -8.167 12.816 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.000 -8.810 10.447 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.409 -7.860 10.976 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.137 -7.094 9.995 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.216 -8.436 11.473 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.170 -6.704 11.065 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.420 -7.215 12.751 1.00 0.00 H new ATOM 377 N HIS A 26 -3.036 -6.429 13.876 1.00 0.00 N ATOM 378 CA HIS A 26 -4.466 -6.476 14.157 1.00 0.00 C ATOM 379 C HIS A 26 -5.021 -5.073 14.388 1.00 0.00 C ATOM 380 O HIS A 26 -5.883 -4.606 13.645 1.00 0.00 O ATOM 381 CB HIS A 26 -4.739 -7.352 15.380 1.00 0.00 C ATOM 382 CG HIS A 26 -5.948 -6.935 16.159 1.00 0.00 C ATOM 383 ND1 HIS A 26 -7.199 -7.477 15.954 1.00 0.00 N ATOM 384 CD2 HIS A 26 -6.092 -6.023 17.149 1.00 0.00 C ATOM 385 CE1 HIS A 26 -8.061 -6.915 16.783 1.00 0.00 C ATOM 386 NE2 HIS A 26 -7.414 -6.030 17.520 1.00 0.00 N ATOM 0 H HIS A 26 -2.443 -6.706 14.658 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.967 -6.908 13.291 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.865 -8.385 15.056 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.869 -7.327 16.036 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -7.424 -8.199 15.269 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.312 -5.405 17.569 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -9.115 -7.141 16.847 1.00 0.00 H new ATOM 394 N ASN A 27 -4.521 -4.408 15.425 1.00 0.00 N ATOM 395 CA ASN A 27 -4.968 -3.059 15.754 1.00 0.00 C ATOM 396 C ASN A 27 -5.311 -2.276 14.491 1.00 0.00 C ATOM 397 O ASN A 27 -6.337 -1.598 14.428 1.00 0.00 O ATOM 398 CB ASN A 27 -3.888 -2.321 16.548 1.00 0.00 C ATOM 399 CG ASN A 27 -2.931 -1.560 15.651 1.00 0.00 C ATOM 400 OD1 ASN A 27 -1.797 -1.987 15.430 1.00 0.00 O ATOM 401 ND2 ASN A 27 -3.384 -0.425 15.130 1.00 0.00 N ATOM 0 H ASN A 27 -3.807 -4.781 16.051 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.867 -3.140 16.365 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.362 -1.627 17.242 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.327 -3.038 17.148 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.785 0.131 14.520 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.331 -0.109 15.340 1.00 0.00 H new ATOM 408 N ARG A 28 -4.447 -2.374 13.487 1.00 0.00 N ATOM 409 CA ARG A 28 -4.658 -1.675 12.225 1.00 0.00 C ATOM 410 C ARG A 28 -6.101 -1.828 11.753 1.00 0.00 C ATOM 411 O ARG A 28 -6.757 -0.848 11.399 1.00 0.00 O ATOM 412 CB ARG A 28 -3.701 -2.207 11.156 1.00 0.00 C ATOM 413 CG ARG A 28 -2.279 -1.690 11.300 1.00 0.00 C ATOM 414 CD ARG A 28 -1.332 -2.389 10.337 1.00 0.00 C ATOM 415 NE ARG A 28 -1.278 -1.718 9.041 1.00 0.00 N ATOM 416 CZ ARG A 28 -0.269 -1.850 8.186 1.00 0.00 C ATOM 417 NH1 ARG A 28 0.763 -2.625 8.490 1.00 0.00 N ATOM 418 NH2 ARG A 28 -0.292 -1.207 7.026 1.00 0.00 N ATOM 0 H ARG A 28 -3.593 -2.931 13.523 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.458 -0.616 12.388 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.689 -3.296 11.201 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.080 -1.933 10.172 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.261 -0.616 11.115 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.937 -1.843 12.324 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.332 -2.421 10.771 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.653 -3.421 10.198 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.057 -1.115 8.778 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.783 -3.121 9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.537 -2.725 7.833 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.085 -0.610 6.789 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.483 -1.309 6.371 1.00 0.00 H new ATOM 432 N LYS A 29 -6.589 -3.064 11.751 1.00 0.00 N ATOM 433 CA LYS A 29 -7.954 -3.347 11.324 1.00 0.00 C ATOM 434 C LYS A 29 -8.916 -2.279 11.834 1.00 0.00 C ATOM 435 O LYS A 29 -9.789 -1.814 11.100 1.00 0.00 O ATOM 436 CB LYS A 29 -8.392 -4.725 11.826 1.00 0.00 C ATOM 437 CG LYS A 29 -8.036 -5.858 10.879 1.00 0.00 C ATOM 438 CD LYS A 29 -8.984 -5.912 9.693 1.00 0.00 C ATOM 439 CE LYS A 29 -8.470 -6.847 8.609 1.00 0.00 C ATOM 440 NZ LYS A 29 -8.524 -8.273 9.037 1.00 0.00 N ATOM 0 H LYS A 29 -6.059 -3.886 12.041 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.976 -3.340 10.234 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.930 -4.913 12.795 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.471 -4.719 11.983 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.014 -5.729 10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.069 -6.806 11.416 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.967 -6.246 10.027 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.110 -4.911 9.281 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.064 -6.716 7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.443 -6.582 8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.166 -8.879 8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.937 -8.403 9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.507 -8.534 9.253 1.00 0.00 H new ATOM 454 N HIS A 30 -8.751 -1.894 13.096 1.00 0.00 N ATOM 455 CA HIS A 30 -9.604 -0.879 13.703 1.00 0.00 C ATOM 456 C HIS A 30 -9.602 0.400 12.872 1.00 0.00 C ATOM 457 O HIS A 30 -10.655 0.887 12.459 1.00 0.00 O ATOM 458 CB HIS A 30 -9.138 -0.577 15.128 1.00 0.00 C ATOM 459 CG HIS A 30 -9.473 -1.657 16.109 1.00 0.00 C ATOM 460 ND1 HIS A 30 -10.749 -2.151 16.279 1.00 0.00 N ATOM 461 CD2 HIS A 30 -8.689 -2.341 16.976 1.00 0.00 C ATOM 462 CE1 HIS A 30 -10.736 -3.090 17.208 1.00 0.00 C ATOM 463 NE2 HIS A 30 -9.497 -3.225 17.646 1.00 0.00 N ATOM 0 H HIS A 30 -8.035 -2.270 13.717 1.00 0.00 H new ATOM 0 HA HIS A 30 -10.622 -1.267 13.737 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.059 -0.423 15.124 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.592 0.357 15.460 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -11.575 -1.840 15.767 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -7.625 -2.214 17.114 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.592 -3.652 17.551 1.00 0.00 H new ATOM 471 N THR A 31 -8.412 0.942 12.632 1.00 0.00 N ATOM 472 CA THR A 31 -8.273 2.166 11.852 1.00 0.00 C ATOM 473 C THR A 31 -8.774 1.970 10.426 1.00 0.00 C ATOM 474 O THR A 31 -9.134 0.861 10.031 1.00 0.00 O ATOM 475 CB THR A 31 -6.808 2.641 11.809 1.00 0.00 C ATOM 476 OG1 THR A 31 -6.018 1.723 11.045 1.00 0.00 O ATOM 477 CG2 THR A 31 -6.237 2.763 13.213 1.00 0.00 C ATOM 0 H THR A 31 -7.531 0.553 12.967 1.00 0.00 H new ATOM 0 HA THR A 31 -8.879 2.926 12.345 1.00 0.00 H new ATOM 0 HB THR A 31 -6.781 3.623 11.337 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.156 0.813 11.382 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.202 3.100 13.157 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.823 3.484 13.783 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.276 1.792 13.707 1.00 0.00 H new ATOM 485 N GLY A 32 -8.795 3.053 9.656 1.00 0.00 N ATOM 486 CA GLY A 32 -9.254 2.978 8.281 1.00 0.00 C ATOM 487 C GLY A 32 -8.432 2.014 7.448 1.00 0.00 C ATOM 488 O GLY A 32 -7.273 2.285 7.138 1.00 0.00 O ATOM 0 H GLY A 32 -8.502 3.982 9.960 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.299 2.667 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.210 3.970 7.832 1.00 0.00 H new ATOM 492 N GLU A 33 -9.034 0.886 7.087 1.00 0.00 N ATOM 493 CA GLU A 33 -8.349 -0.123 6.287 1.00 0.00 C ATOM 494 C GLU A 33 -8.576 0.118 4.797 1.00 0.00 C ATOM 495 O GLU A 33 -9.569 0.728 4.399 1.00 0.00 O ATOM 496 CB GLU A 33 -8.832 -1.523 6.667 1.00 0.00 C ATOM 497 CG GLU A 33 -10.230 -1.843 6.164 1.00 0.00 C ATOM 498 CD GLU A 33 -10.763 -3.151 6.714 1.00 0.00 C ATOM 499 OE1 GLU A 33 -10.065 -4.178 6.586 1.00 0.00 O ATOM 500 OE2 GLU A 33 -11.880 -3.148 7.274 1.00 0.00 O ATOM 0 H GLU A 33 -9.994 0.647 7.335 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.281 -0.048 6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.134 -2.259 6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.814 -1.622 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.906 -1.034 6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.218 -1.889 5.075 1.00 0.00 H new ATOM 507 N LYS A 34 -7.648 -0.364 3.977 1.00 0.00 N ATOM 508 CA LYS A 34 -7.745 -0.203 2.531 1.00 0.00 C ATOM 509 C LYS A 34 -9.050 -0.792 2.005 1.00 0.00 C ATOM 510 O LYS A 34 -9.667 -1.654 2.631 1.00 0.00 O ATOM 511 CB LYS A 34 -6.555 -0.874 1.842 1.00 0.00 C ATOM 512 CG LYS A 34 -5.331 0.018 1.737 1.00 0.00 C ATOM 513 CD LYS A 34 -4.592 0.109 3.062 1.00 0.00 C ATOM 514 CE LYS A 34 -3.795 -1.155 3.344 1.00 0.00 C ATOM 515 NZ LYS A 34 -3.496 -1.310 4.795 1.00 0.00 N ATOM 0 H LYS A 34 -6.819 -0.870 4.290 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.732 0.864 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.290 -1.777 2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.854 -1.186 0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.660 -0.372 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.633 1.016 1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.921 0.968 3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.307 0.277 3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.354 -2.023 2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.862 -1.129 2.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.952 -2.183 4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.941 -0.495 5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.387 -1.361 5.330 1.00 0.00 H new ATOM 529 N PRO A 35 -9.480 -0.320 0.826 1.00 0.00 N ATOM 530 CA PRO A 35 -10.714 -0.788 0.188 1.00 0.00 C ATOM 531 C PRO A 35 -10.598 -2.222 -0.318 1.00 0.00 C ATOM 532 O PRO A 35 -11.472 -3.052 -0.067 1.00 0.00 O ATOM 533 CB PRO A 35 -10.897 0.179 -0.984 1.00 0.00 C ATOM 534 CG PRO A 35 -9.523 0.666 -1.291 1.00 0.00 C ATOM 535 CD PRO A 35 -8.795 0.707 0.023 1.00 0.00 C ATOM 0 HA PRO A 35 -11.553 -0.799 0.884 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.341 -0.321 -1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.559 1.003 -0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.021 0.001 -1.994 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.553 1.653 -1.752 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.735 0.482 -0.098 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.861 1.691 0.488 1.00 0.00 H new ATOM 543 N PHE A 36 -9.513 -2.506 -1.031 1.00 0.00 N ATOM 544 CA PHE A 36 -9.283 -3.840 -1.573 1.00 0.00 C ATOM 545 C PHE A 36 -7.852 -4.297 -1.304 1.00 0.00 C ATOM 546 O PHE A 36 -7.007 -3.508 -0.882 1.00 0.00 O ATOM 547 CB PHE A 36 -9.562 -3.858 -3.077 1.00 0.00 C ATOM 548 CG PHE A 36 -10.952 -3.416 -3.434 1.00 0.00 C ATOM 549 CD1 PHE A 36 -11.252 -2.070 -3.571 1.00 0.00 C ATOM 550 CD2 PHE A 36 -11.960 -4.346 -3.633 1.00 0.00 C ATOM 551 CE1 PHE A 36 -12.530 -1.660 -3.900 1.00 0.00 C ATOM 552 CE2 PHE A 36 -13.240 -3.942 -3.962 1.00 0.00 C ATOM 553 CZ PHE A 36 -13.525 -2.597 -4.095 1.00 0.00 C ATOM 0 H PHE A 36 -8.780 -1.831 -1.247 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.965 -4.529 -1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.843 -3.211 -3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.402 -4.867 -3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -10.478 -1.333 -3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.743 -5.399 -3.530 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -12.750 -0.608 -4.004 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -14.016 -4.677 -4.115 1.00 0.00 H new ATOM 0 HZ PHE A 36 -14.525 -2.279 -4.351 1.00 0.00 H new ATOM 563 N GLU A 37 -7.589 -5.576 -1.551 1.00 0.00 N ATOM 564 CA GLU A 37 -6.261 -6.138 -1.335 1.00 0.00 C ATOM 565 C GLU A 37 -6.169 -7.552 -1.901 1.00 0.00 C ATOM 566 O GLU A 37 -6.947 -8.433 -1.533 1.00 0.00 O ATOM 567 CB GLU A 37 -5.926 -6.153 0.158 1.00 0.00 C ATOM 568 CG GLU A 37 -4.516 -6.628 0.461 1.00 0.00 C ATOM 569 CD GLU A 37 -4.120 -6.399 1.907 1.00 0.00 C ATOM 570 OE1 GLU A 37 -4.415 -7.272 2.749 1.00 0.00 O ATOM 571 OE2 GLU A 37 -3.516 -5.345 2.196 1.00 0.00 O ATOM 0 H GLU A 37 -8.278 -6.242 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.540 -5.509 -1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.056 -5.149 0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.636 -6.798 0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.438 -7.691 0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.814 -6.108 -0.191 1.00 0.00 H new ATOM 578 N CYS A 38 -5.213 -7.762 -2.800 1.00 0.00 N ATOM 579 CA CYS A 38 -5.019 -9.067 -3.420 1.00 0.00 C ATOM 580 C CYS A 38 -5.288 -10.189 -2.421 1.00 0.00 C ATOM 581 O CYS A 38 -4.491 -10.458 -1.522 1.00 0.00 O ATOM 582 CB CYS A 38 -3.596 -9.188 -3.968 1.00 0.00 C ATOM 583 SG CYS A 38 -3.439 -10.316 -5.390 1.00 0.00 S ATOM 0 H CYS A 38 -4.560 -7.044 -3.115 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.727 -9.159 -4.243 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.246 -8.199 -4.263 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.939 -9.533 -3.170 1.00 0.00 H new ATOM 588 N PRO A 39 -6.438 -10.860 -2.581 1.00 0.00 N ATOM 589 CA PRO A 39 -6.839 -11.964 -1.704 1.00 0.00 C ATOM 590 C PRO A 39 -5.974 -13.205 -1.900 1.00 0.00 C ATOM 591 O PRO A 39 -6.199 -14.238 -1.269 1.00 0.00 O ATOM 592 CB PRO A 39 -8.283 -12.247 -2.127 1.00 0.00 C ATOM 593 CG PRO A 39 -8.364 -11.773 -3.536 1.00 0.00 C ATOM 594 CD PRO A 39 -7.435 -10.594 -3.631 1.00 0.00 C ATOM 0 HA PRO A 39 -6.731 -11.706 -0.650 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.517 -13.309 -2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.993 -11.719 -1.490 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.068 -12.560 -4.230 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.384 -11.488 -3.794 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.973 -10.525 -4.616 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.959 -9.654 -3.458 1.00 0.00 H new ATOM 602 N LYS A 40 -4.983 -13.096 -2.779 1.00 0.00 N ATOM 603 CA LYS A 40 -4.082 -14.208 -3.058 1.00 0.00 C ATOM 604 C LYS A 40 -2.772 -14.052 -2.292 1.00 0.00 C ATOM 605 O LYS A 40 -2.177 -15.037 -1.854 1.00 0.00 O ATOM 606 CB LYS A 40 -3.799 -14.297 -4.560 1.00 0.00 C ATOM 607 CG LYS A 40 -5.047 -14.494 -5.403 1.00 0.00 C ATOM 608 CD LYS A 40 -4.737 -15.233 -6.694 1.00 0.00 C ATOM 609 CE LYS A 40 -4.391 -14.269 -7.818 1.00 0.00 C ATOM 610 NZ LYS A 40 -2.951 -13.892 -7.802 1.00 0.00 N ATOM 0 H LYS A 40 -4.784 -12.248 -3.310 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.567 -15.127 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.294 -13.386 -4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.112 -15.123 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.788 -15.053 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.488 -13.524 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.905 -15.918 -6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.596 -15.838 -6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.636 -14.726 -8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.002 -13.371 -7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.726 -13.345 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.753 -13.315 -6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.367 -14.752 -7.777 1.00 0.00 H new ATOM 624 N CYS A 41 -2.329 -12.809 -2.133 1.00 0.00 N ATOM 625 CA CYS A 41 -1.091 -12.524 -1.419 1.00 0.00 C ATOM 626 C CYS A 41 -1.329 -11.517 -0.298 1.00 0.00 C ATOM 627 O CYS A 41 -0.826 -11.678 0.813 1.00 0.00 O ATOM 628 CB CYS A 41 -0.032 -11.988 -2.385 1.00 0.00 C ATOM 629 SG CYS A 41 -0.487 -10.419 -3.190 1.00 0.00 S ATOM 0 H CYS A 41 -2.810 -11.983 -2.489 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.733 -13.454 -0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.902 -11.848 -1.842 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.156 -12.737 -3.154 1.00 0.00 H new ATOM 634 N GLY A 42 -2.100 -10.476 -0.599 1.00 0.00 N ATOM 635 CA GLY A 42 -2.392 -9.458 0.393 1.00 0.00 C ATOM 636 C GLY A 42 -1.887 -8.088 -0.016 1.00 0.00 C ATOM 637 O GLY A 42 -1.686 -7.214 0.828 1.00 0.00 O ATOM 0 H GLY A 42 -2.527 -10.320 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.469 -9.411 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.939 -9.740 1.343 1.00 0.00 H new ATOM 641 N LYS A 43 -1.679 -7.900 -1.315 1.00 0.00 N ATOM 642 CA LYS A 43 -1.194 -6.628 -1.836 1.00 0.00 C ATOM 643 C LYS A 43 -2.335 -5.624 -1.971 1.00 0.00 C ATOM 644 O LYS A 43 -3.167 -5.734 -2.872 1.00 0.00 O ATOM 645 CB LYS A 43 -0.519 -6.833 -3.194 1.00 0.00 C ATOM 646 CG LYS A 43 0.650 -5.895 -3.441 1.00 0.00 C ATOM 647 CD LYS A 43 0.180 -4.539 -3.942 1.00 0.00 C ATOM 648 CE LYS A 43 1.117 -3.426 -3.500 1.00 0.00 C ATOM 649 NZ LYS A 43 0.934 -3.084 -2.062 1.00 0.00 N ATOM 0 H LYS A 43 -1.839 -8.613 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.465 -6.230 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.169 -7.863 -3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.259 -6.694 -3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.216 -5.767 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.326 -6.339 -4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.118 -4.553 -5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.825 -4.340 -3.568 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.149 -3.731 -3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.941 -2.540 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.490 -2.235 -1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.072 -2.900 -1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.256 -3.878 -1.473 1.00 0.00 H new ATOM 663 N CYS A 44 -2.366 -4.647 -1.071 1.00 0.00 N ATOM 664 CA CYS A 44 -3.404 -3.623 -1.091 1.00 0.00 C ATOM 665 C CYS A 44 -3.330 -2.797 -2.370 1.00 0.00 C ATOM 666 O CYS A 44 -2.335 -2.844 -3.095 1.00 0.00 O ATOM 667 CB CYS A 44 -3.272 -2.709 0.129 1.00 0.00 C ATOM 668 SG CYS A 44 -1.965 -1.468 -0.017 1.00 0.00 S ATOM 0 H CYS A 44 -1.685 -4.543 -0.319 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.372 -4.123 -1.059 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.223 -2.202 0.295 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.080 -3.322 1.010 1.00 0.00 H new ATOM 0 HG CYS A 44 -2.189 -0.501 0.823 1.00 0.00 H new ATOM 674 N TYR A 45 -4.388 -2.041 -2.643 1.00 0.00 N ATOM 675 CA TYR A 45 -4.444 -1.207 -3.838 1.00 0.00 C ATOM 676 C TYR A 45 -5.570 -0.183 -3.735 1.00 0.00 C ATOM 677 O TYR A 45 -6.748 -0.540 -3.704 1.00 0.00 O ATOM 678 CB TYR A 45 -4.641 -2.075 -5.082 1.00 0.00 C ATOM 679 CG TYR A 45 -3.347 -2.468 -5.758 1.00 0.00 C ATOM 680 CD1 TYR A 45 -2.550 -1.516 -6.383 1.00 0.00 C ATOM 681 CD2 TYR A 45 -2.920 -3.790 -5.772 1.00 0.00 C ATOM 682 CE1 TYR A 45 -1.367 -1.869 -7.002 1.00 0.00 C ATOM 683 CE2 TYR A 45 -1.738 -4.152 -6.388 1.00 0.00 C ATOM 684 CZ TYR A 45 -0.965 -3.189 -7.001 1.00 0.00 C ATOM 685 OH TYR A 45 0.213 -3.546 -7.617 1.00 0.00 O ATOM 0 H TYR A 45 -5.218 -1.989 -2.053 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.498 -0.672 -3.922 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.184 -2.978 -4.802 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.265 -1.536 -5.795 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.861 -0.482 -6.385 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.523 -4.548 -5.293 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.760 -1.117 -7.484 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.421 -5.184 -6.389 1.00 0.00 H new ATOM 0 HH TYR A 45 0.597 -4.325 -7.162 1.00 0.00 H new ATOM 695 N PHE A 46 -5.199 1.092 -3.684 1.00 0.00 N ATOM 696 CA PHE A 46 -6.176 2.169 -3.584 1.00 0.00 C ATOM 697 C PHE A 46 -7.393 1.882 -4.459 1.00 0.00 C ATOM 698 O PHE A 46 -8.534 1.999 -4.011 1.00 0.00 O ATOM 699 CB PHE A 46 -5.542 3.501 -3.993 1.00 0.00 C ATOM 700 CG PHE A 46 -6.435 4.686 -3.759 1.00 0.00 C ATOM 701 CD1 PHE A 46 -6.946 4.948 -2.498 1.00 0.00 C ATOM 702 CD2 PHE A 46 -6.763 5.538 -4.801 1.00 0.00 C ATOM 703 CE1 PHE A 46 -7.767 6.038 -2.280 1.00 0.00 C ATOM 704 CE2 PHE A 46 -7.583 6.630 -4.589 1.00 0.00 C ATOM 705 CZ PHE A 46 -8.087 6.879 -3.327 1.00 0.00 C ATOM 0 H PHE A 46 -4.228 1.404 -3.710 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.504 2.234 -2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.615 3.639 -3.437 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.277 3.459 -5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.700 4.293 -1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.374 5.347 -5.790 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.158 6.232 -1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.830 7.288 -5.409 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.730 7.730 -3.160 1.00 0.00 H new ATOM 715 N ARG A 47 -7.140 1.507 -5.709 1.00 0.00 N ATOM 716 CA ARG A 47 -8.214 1.206 -6.647 1.00 0.00 C ATOM 717 C ARG A 47 -8.227 -0.279 -7.000 1.00 0.00 C ATOM 718 O ARG A 47 -7.217 -0.969 -6.866 1.00 0.00 O ATOM 719 CB ARG A 47 -8.058 2.041 -7.919 1.00 0.00 C ATOM 720 CG ARG A 47 -8.053 3.540 -7.667 1.00 0.00 C ATOM 721 CD ARG A 47 -8.578 4.310 -8.868 1.00 0.00 C ATOM 722 NE ARG A 47 -7.535 4.555 -9.860 1.00 0.00 N ATOM 723 CZ ARG A 47 -7.750 5.175 -11.015 1.00 0.00 C ATOM 724 NH1 ARG A 47 -8.964 5.611 -11.321 1.00 0.00 N ATOM 725 NH2 ARG A 47 -6.749 5.361 -11.866 1.00 0.00 N ATOM 0 H ARG A 47 -6.201 1.405 -6.095 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.161 1.457 -6.169 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.129 1.761 -8.415 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.870 1.799 -8.604 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.665 3.765 -6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.039 3.868 -7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.392 3.751 -9.329 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.993 5.262 -8.535 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.589 4.232 -9.655 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.736 5.471 -10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.126 6.087 -12.209 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.813 5.028 -11.634 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.915 5.837 -12.753 1.00 0.00 H new ATOM 739 N LYS A 48 -9.379 -0.765 -7.451 1.00 0.00 N ATOM 740 CA LYS A 48 -9.525 -2.167 -7.823 1.00 0.00 C ATOM 741 C LYS A 48 -8.766 -2.469 -9.111 1.00 0.00 C ATOM 742 O LYS A 48 -7.937 -3.377 -9.154 1.00 0.00 O ATOM 743 CB LYS A 48 -11.005 -2.518 -7.996 1.00 0.00 C ATOM 744 CG LYS A 48 -11.269 -4.012 -8.079 1.00 0.00 C ATOM 745 CD LYS A 48 -12.705 -4.302 -8.483 1.00 0.00 C ATOM 746 CE LYS A 48 -12.941 -5.793 -8.669 1.00 0.00 C ATOM 747 NZ LYS A 48 -14.142 -6.064 -9.506 1.00 0.00 N ATOM 0 H LYS A 48 -10.225 -0.208 -7.568 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.105 -2.776 -7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.568 -2.104 -7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.380 -2.040 -8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.589 -4.463 -8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.061 -4.473 -7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.383 -3.917 -7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.936 -3.777 -9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.065 -6.244 -9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.063 -6.266 -7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.269 -7.091 -9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.983 -5.656 -9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.015 -5.635 -10.445 1.00 0.00 H new ATOM 761 N GLU A 49 -9.055 -1.702 -10.157 1.00 0.00 N ATOM 762 CA GLU A 49 -8.398 -1.889 -11.446 1.00 0.00 C ATOM 763 C GLU A 49 -6.949 -2.328 -11.259 1.00 0.00 C ATOM 764 O GLU A 49 -6.533 -3.367 -11.770 1.00 0.00 O ATOM 765 CB GLU A 49 -8.450 -0.596 -12.262 1.00 0.00 C ATOM 766 CG GLU A 49 -7.676 -0.669 -13.568 1.00 0.00 C ATOM 767 CD GLU A 49 -7.348 0.701 -14.129 1.00 0.00 C ATOM 768 OE1 GLU A 49 -6.335 1.291 -13.700 1.00 0.00 O ATOM 769 OE2 GLU A 49 -8.105 1.183 -14.998 1.00 0.00 O ATOM 0 H GLU A 49 -9.739 -0.946 -10.138 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.930 -2.672 -11.986 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.491 -0.355 -12.479 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.053 0.221 -11.659 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.751 -1.223 -13.407 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.259 -1.228 -14.301 1.00 0.00 H new ATOM 776 N ASN A 50 -6.185 -1.527 -10.523 1.00 0.00 N ATOM 777 CA ASN A 50 -4.781 -1.832 -10.269 1.00 0.00 C ATOM 778 C ASN A 50 -4.628 -3.222 -9.659 1.00 0.00 C ATOM 779 O ASN A 50 -3.845 -4.041 -10.143 1.00 0.00 O ATOM 780 CB ASN A 50 -4.171 -0.784 -9.336 1.00 0.00 C ATOM 781 CG ASN A 50 -3.727 0.462 -10.078 1.00 0.00 C ATOM 782 OD1 ASN A 50 -4.657 1.094 -10.783 1.00 0.00 O flip ATOM 783 ND2 ASN A 50 -2.560 0.851 -10.018 1.00 0.00 N flip ATOM 0 H ASN A 50 -6.514 -0.663 -10.092 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.253 -1.813 -11.222 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.902 -0.510 -8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.317 -1.218 -8.816 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.878 0.334 -9.463 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.276 1.690 -10.523 1.00 0.00 H new ATOM 790 N LEU A 51 -5.380 -3.482 -8.596 1.00 0.00 N ATOM 791 CA LEU A 51 -5.329 -4.773 -7.919 1.00 0.00 C ATOM 792 C LEU A 51 -5.451 -5.917 -8.921 1.00 0.00 C ATOM 793 O LEU A 51 -4.627 -6.832 -8.939 1.00 0.00 O ATOM 794 CB LEU A 51 -6.444 -4.870 -6.877 1.00 0.00 C ATOM 795 CG LEU A 51 -6.906 -6.283 -6.518 1.00 0.00 C ATOM 796 CD1 LEU A 51 -5.863 -6.984 -5.661 1.00 0.00 C ATOM 797 CD2 LEU A 51 -8.247 -6.239 -5.800 1.00 0.00 C ATOM 0 H LEU A 51 -6.033 -2.816 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.365 -4.855 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.106 -4.377 -5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.305 -4.310 -7.242 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.029 -6.850 -7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.209 -7.988 -5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.924 -7.048 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.708 -6.419 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.560 -7.253 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.151 -5.655 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.992 -5.777 -6.448 1.00 0.00 H new ATOM 809 N LEU A 52 -6.485 -5.859 -9.754 1.00 0.00 N ATOM 810 CA LEU A 52 -6.715 -6.889 -10.760 1.00 0.00 C ATOM 811 C LEU A 52 -5.504 -7.035 -11.677 1.00 0.00 C ATOM 812 O LEU A 52 -5.109 -8.147 -12.026 1.00 0.00 O ATOM 813 CB LEU A 52 -7.957 -6.554 -11.587 1.00 0.00 C ATOM 814 CG LEU A 52 -9.287 -6.559 -10.833 1.00 0.00 C ATOM 815 CD1 LEU A 52 -10.305 -5.677 -11.539 1.00 0.00 C ATOM 816 CD2 LEU A 52 -9.815 -7.979 -10.693 1.00 0.00 C ATOM 0 H LEU A 52 -7.177 -5.109 -9.752 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.874 -7.836 -10.244 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.818 -5.568 -12.031 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.025 -7.267 -12.408 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.118 -6.155 -9.835 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.245 -5.693 -10.988 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.930 -4.655 -11.586 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.471 -6.050 -12.550 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.762 -7.963 -10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.968 -8.410 -11.683 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.094 -8.583 -10.142 1.00 0.00 H new ATOM 828 N GLU A 53 -4.919 -5.905 -12.060 1.00 0.00 N ATOM 829 CA GLU A 53 -3.752 -5.908 -12.935 1.00 0.00 C ATOM 830 C GLU A 53 -2.575 -6.615 -12.269 1.00 0.00 C ATOM 831 O GLU A 53 -1.886 -7.422 -12.895 1.00 0.00 O ATOM 832 CB GLU A 53 -3.359 -4.476 -13.303 1.00 0.00 C ATOM 833 CG GLU A 53 -4.383 -3.768 -14.174 1.00 0.00 C ATOM 834 CD GLU A 53 -3.820 -2.534 -14.852 1.00 0.00 C ATOM 835 OE1 GLU A 53 -2.698 -2.617 -15.394 1.00 0.00 O ATOM 836 OE2 GLU A 53 -4.500 -1.487 -14.840 1.00 0.00 O ATOM 0 H GLU A 53 -5.233 -4.976 -11.779 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.013 -6.450 -13.844 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.214 -3.902 -12.388 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.402 -4.493 -13.824 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.749 -4.460 -14.933 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.239 -3.483 -13.563 1.00 0.00 H new ATOM 843 N HIS A 54 -2.350 -6.306 -10.996 1.00 0.00 N ATOM 844 CA HIS A 54 -1.256 -6.911 -10.244 1.00 0.00 C ATOM 845 C HIS A 54 -1.383 -8.432 -10.230 1.00 0.00 C ATOM 846 O HIS A 54 -0.384 -9.147 -10.303 1.00 0.00 O ATOM 847 CB HIS A 54 -1.236 -6.376 -8.812 1.00 0.00 C ATOM 848 CG HIS A 54 -0.689 -7.352 -7.816 1.00 0.00 C ATOM 849 ND1 HIS A 54 0.619 -7.328 -7.380 1.00 0.00 N ATOM 850 CD2 HIS A 54 -1.281 -8.382 -7.168 1.00 0.00 C ATOM 851 CE1 HIS A 54 0.808 -8.303 -6.509 1.00 0.00 C ATOM 852 NE2 HIS A 54 -0.330 -8.957 -6.362 1.00 0.00 N ATOM 0 H HIS A 54 -2.910 -5.640 -10.464 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.320 -6.646 -10.735 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -0.639 -5.465 -8.782 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -2.250 -6.102 -8.521 1.00 0.00 H new ATOM 0 HD1 HIS A 54 1.329 -6.662 -7.683 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.310 -8.694 -7.267 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.735 -8.527 -6.003 1.00 0.00 H new ATOM 860 N GLU A 55 -2.617 -8.917 -10.136 1.00 0.00 N ATOM 861 CA GLU A 55 -2.872 -10.353 -10.110 1.00 0.00 C ATOM 862 C GLU A 55 -2.362 -11.018 -11.385 1.00 0.00 C ATOM 863 O GLU A 55 -1.459 -11.854 -11.343 1.00 0.00 O ATOM 864 CB GLU A 55 -4.369 -10.624 -9.944 1.00 0.00 C ATOM 865 CG GLU A 55 -4.881 -10.365 -8.537 1.00 0.00 C ATOM 866 CD GLU A 55 -6.329 -10.781 -8.358 1.00 0.00 C ATOM 867 OE1 GLU A 55 -7.098 -10.690 -9.337 1.00 0.00 O ATOM 868 OE2 GLU A 55 -6.691 -11.199 -7.238 1.00 0.00 O ATOM 0 H GLU A 55 -3.455 -8.338 -10.077 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.337 -10.777 -9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.923 -9.999 -10.644 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.574 -11.661 -10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.260 -10.906 -7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.780 -9.304 -8.307 1.00 0.00 H new ATOM 875 N ALA A 56 -2.948 -10.642 -12.517 1.00 0.00 N ATOM 876 CA ALA A 56 -2.553 -11.201 -13.804 1.00 0.00 C ATOM 877 C ALA A 56 -1.107 -10.847 -14.136 1.00 0.00 C ATOM 878 O ALA A 56 -0.305 -11.719 -14.469 1.00 0.00 O ATOM 879 CB ALA A 56 -3.484 -10.708 -14.902 1.00 0.00 C ATOM 0 H ALA A 56 -3.698 -9.953 -12.569 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.628 -12.286 -13.739 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.177 -11.133 -15.857 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.505 -11.016 -14.679 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.437 -9.620 -14.957 1.00 0.00 H new ATOM 885 N ARG A 57 -0.781 -9.562 -14.043 1.00 0.00 N ATOM 886 CA ARG A 57 0.568 -9.092 -14.335 1.00 0.00 C ATOM 887 C ARG A 57 1.599 -9.854 -13.508 1.00 0.00 C ATOM 888 O ARG A 57 2.367 -10.655 -14.040 1.00 0.00 O ATOM 889 CB ARG A 57 0.681 -7.593 -14.056 1.00 0.00 C ATOM 890 CG ARG A 57 1.799 -6.912 -14.827 1.00 0.00 C ATOM 891 CD ARG A 57 1.338 -6.477 -16.209 1.00 0.00 C ATOM 892 NE ARG A 57 1.478 -7.545 -17.195 1.00 0.00 N ATOM 893 CZ ARG A 57 0.752 -7.621 -18.304 1.00 0.00 C ATOM 894 NH1 ARG A 57 -0.159 -6.696 -18.569 1.00 0.00 N ATOM 895 NH2 ARG A 57 0.939 -8.625 -19.153 1.00 0.00 N ATOM 0 H ARG A 57 -1.433 -8.827 -13.768 1.00 0.00 H new ATOM 0 HA ARG A 57 0.768 -9.273 -15.391 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.265 -7.113 -14.306 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.843 -7.442 -12.989 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.150 -6.044 -14.270 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.644 -7.593 -14.922 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.295 -6.163 -16.161 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.918 -5.611 -16.528 1.00 0.00 H new ATOM 0 HE ARG A 57 2.172 -8.273 -17.022 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.304 -5.923 -17.920 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.715 -6.757 -19.422 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.641 -9.338 -18.953 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.381 -8.683 -20.005 1.00 0.00 H new ATOM 909 N ASN A 58 1.611 -9.598 -12.204 1.00 0.00 N ATOM 910 CA ASN A 58 2.549 -10.258 -11.304 1.00 0.00 C ATOM 911 C ASN A 58 2.064 -10.178 -9.859 1.00 0.00 C ATOM 912 O ASN A 58 1.802 -9.092 -9.340 1.00 0.00 O ATOM 913 CB ASN A 58 3.936 -9.624 -11.424 1.00 0.00 C ATOM 914 CG ASN A 58 4.949 -10.271 -10.499 1.00 0.00 C ATOM 915 OD1 ASN A 58 4.654 -10.556 -9.339 1.00 0.00 O ATOM 916 ND2 ASN A 58 6.152 -10.505 -11.012 1.00 0.00 N ATOM 0 H ASN A 58 0.982 -8.938 -11.747 1.00 0.00 H new ATOM 0 HA ASN A 58 2.611 -11.308 -11.590 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.283 -9.708 -12.454 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.867 -8.560 -11.196 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.876 -10.938 -10.438 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.352 -10.252 -11.980 1.00 0.00 H new ATOM 923 N CYS A 59 1.948 -11.334 -9.215 1.00 0.00 N ATOM 924 CA CYS A 59 1.495 -11.397 -7.830 1.00 0.00 C ATOM 925 C CYS A 59 2.682 -11.442 -6.872 1.00 0.00 C ATOM 926 O CYS A 59 3.726 -12.012 -7.186 1.00 0.00 O ATOM 927 CB CYS A 59 0.607 -12.624 -7.617 1.00 0.00 C ATOM 928 SG CYS A 59 -0.601 -12.441 -6.266 1.00 0.00 S ATOM 0 H CYS A 59 2.162 -12.241 -9.630 1.00 0.00 H new ATOM 0 HA CYS A 59 0.916 -10.497 -7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.072 -12.837 -8.542 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.241 -13.486 -7.409 1.00 0.00 H new ATOM 933 N MET A 60 2.513 -10.836 -5.701 1.00 0.00 N ATOM 934 CA MET A 60 3.569 -10.808 -4.696 1.00 0.00 C ATOM 935 C MET A 60 4.208 -12.184 -4.541 1.00 0.00 C ATOM 936 O MET A 60 3.512 -13.190 -4.409 1.00 0.00 O ATOM 937 CB MET A 60 3.011 -10.338 -3.351 1.00 0.00 C ATOM 938 CG MET A 60 3.997 -10.474 -2.203 1.00 0.00 C ATOM 939 SD MET A 60 3.626 -9.361 -0.833 1.00 0.00 S ATOM 940 CE MET A 60 1.948 -9.851 -0.443 1.00 0.00 C ATOM 0 H MET A 60 1.655 -10.358 -5.425 1.00 0.00 H new ATOM 0 HA MET A 60 4.334 -10.106 -5.029 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.708 -9.294 -3.437 1.00 0.00 H new ATOM 0 HB3 MET A 60 2.114 -10.912 -3.119 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.989 -11.503 -1.843 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.004 -10.272 -2.568 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.634 -9.368 0.482 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.284 -9.550 -1.253 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.904 -10.933 -0.321 1.00 0.00 H new ATOM 950 N ASN A 61 5.536 -12.221 -4.558 1.00 0.00 N ATOM 951 CA ASN A 61 6.269 -13.474 -4.420 1.00 0.00 C ATOM 952 C ASN A 61 7.014 -13.525 -3.089 1.00 0.00 C ATOM 953 O ASN A 61 7.414 -12.493 -2.550 1.00 0.00 O ATOM 954 CB ASN A 61 7.256 -13.642 -5.577 1.00 0.00 C ATOM 955 CG ASN A 61 6.637 -13.303 -6.919 1.00 0.00 C ATOM 956 OD1 ASN A 61 6.035 -14.157 -7.571 1.00 0.00 O ATOM 957 ND2 ASN A 61 6.782 -12.052 -7.338 1.00 0.00 N ATOM 0 H ASN A 61 6.127 -11.397 -4.666 1.00 0.00 H new ATOM 0 HA ASN A 61 5.549 -14.292 -4.444 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.122 -13.002 -5.408 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.618 -14.670 -5.596 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.387 -11.765 -8.233 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.289 -11.378 -6.765 1.00 0.00 H new ATOM 964 N ARG A 62 7.196 -14.733 -2.566 1.00 0.00 N ATOM 965 CA ARG A 62 7.892 -14.919 -1.298 1.00 0.00 C ATOM 966 C ARG A 62 9.403 -14.823 -1.489 1.00 0.00 C ATOM 967 O ARG A 62 10.090 -14.125 -0.743 1.00 0.00 O ATOM 968 CB ARG A 62 7.530 -16.274 -0.687 1.00 0.00 C ATOM 969 CG ARG A 62 7.711 -16.329 0.821 1.00 0.00 C ATOM 970 CD ARG A 62 6.891 -17.451 1.440 1.00 0.00 C ATOM 971 NE ARG A 62 7.524 -18.755 1.259 1.00 0.00 N ATOM 972 CZ ARG A 62 6.979 -19.898 1.661 1.00 0.00 C ATOM 973 NH1 ARG A 62 5.798 -19.897 2.263 1.00 0.00 N ATOM 974 NH2 ARG A 62 7.617 -21.044 1.461 1.00 0.00 N ATOM 0 H ARG A 62 6.872 -15.597 -3.000 1.00 0.00 H new ATOM 0 HA ARG A 62 7.577 -14.126 -0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.493 -16.507 -0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.146 -17.047 -1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.765 -16.474 1.057 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.415 -15.376 1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.757 -17.258 2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.898 -17.465 0.991 1.00 0.00 H new ATOM 0 HE ARG A 62 8.434 -18.790 0.799 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.306 -19.017 2.418 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.382 -20.776 2.571 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.526 -21.048 0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.198 -21.921 1.770 1.00 0.00 H new ATOM 988 N SER A 63 9.914 -15.529 -2.492 1.00 0.00 N ATOM 989 CA SER A 63 11.344 -15.527 -2.778 1.00 0.00 C ATOM 990 C SER A 63 11.727 -14.319 -3.627 1.00 0.00 C ATOM 991 O SER A 63 12.318 -14.461 -4.696 1.00 0.00 O ATOM 992 CB SER A 63 11.744 -16.817 -3.498 1.00 0.00 C ATOM 993 OG SER A 63 13.109 -17.124 -3.273 1.00 0.00 O ATOM 0 H SER A 63 9.359 -16.110 -3.121 1.00 0.00 H new ATOM 0 HA SER A 63 11.878 -15.467 -1.830 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.121 -17.640 -3.149 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.563 -16.711 -4.568 1.00 0.00 H new ATOM 0 HG SER A 63 13.339 -17.953 -3.742 1.00 0.00 H new ATOM 999 N GLU A 64 11.384 -13.130 -3.141 1.00 0.00 N ATOM 1000 CA GLU A 64 11.691 -11.896 -3.855 1.00 0.00 C ATOM 1001 C GLU A 64 12.222 -10.832 -2.899 1.00 0.00 C ATOM 1002 O GLU A 64 11.520 -10.396 -1.988 1.00 0.00 O ATOM 1003 CB GLU A 64 10.445 -11.374 -4.575 1.00 0.00 C ATOM 1004 CG GLU A 64 10.718 -10.184 -5.479 1.00 0.00 C ATOM 1005 CD GLU A 64 9.486 -9.734 -6.239 1.00 0.00 C ATOM 1006 OE1 GLU A 64 9.198 -10.322 -7.303 1.00 0.00 O ATOM 1007 OE2 GLU A 64 8.810 -8.794 -5.771 1.00 0.00 O ATOM 0 H GLU A 64 10.894 -12.995 -2.257 1.00 0.00 H new ATOM 0 HA GLU A 64 12.463 -12.115 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.015 -12.180 -5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.698 -11.092 -3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.093 -9.355 -4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.503 -10.444 -6.189 1.00 0.00 H new ATOM 1014 N GLN A 65 13.467 -10.420 -3.115 1.00 0.00 N ATOM 1015 CA GLN A 65 14.093 -9.408 -2.273 1.00 0.00 C ATOM 1016 C GLN A 65 13.146 -8.238 -2.031 1.00 0.00 C ATOM 1017 O GLN A 65 12.935 -7.404 -2.913 1.00 0.00 O ATOM 1018 CB GLN A 65 15.387 -8.907 -2.916 1.00 0.00 C ATOM 1019 CG GLN A 65 16.096 -7.835 -2.104 1.00 0.00 C ATOM 1020 CD GLN A 65 17.550 -7.670 -2.499 1.00 0.00 C ATOM 1021 OE1 GLN A 65 18.013 -8.266 -3.472 1.00 0.00 O ATOM 1022 NE2 GLN A 65 18.280 -6.857 -1.743 1.00 0.00 N ATOM 0 H GLN A 65 14.062 -10.771 -3.866 1.00 0.00 H new ATOM 0 HA GLN A 65 14.327 -9.867 -1.312 1.00 0.00 H new ATOM 0 HB2 GLN A 65 16.063 -9.750 -3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.161 -8.511 -3.906 1.00 0.00 H new ATOM 0 HG2 GLN A 65 15.578 -6.885 -2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 65 16.038 -8.088 -1.045 1.00 0.00 H new ATOM 0 HE21 GLN A 65 17.855 -6.383 -0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 65 19.265 -6.707 -1.960 1.00 0.00 H new ATOM 1031 N VAL A 66 12.576 -8.181 -0.832 1.00 0.00 N ATOM 1032 CA VAL A 66 11.651 -7.113 -0.474 1.00 0.00 C ATOM 1033 C VAL A 66 12.393 -5.806 -0.219 1.00 0.00 C ATOM 1034 O VAL A 66 13.623 -5.775 -0.184 1.00 0.00 O ATOM 1035 CB VAL A 66 10.829 -7.477 0.777 1.00 0.00 C ATOM 1036 CG1 VAL A 66 9.938 -8.678 0.500 1.00 0.00 C ATOM 1037 CG2 VAL A 66 11.749 -7.746 1.958 1.00 0.00 C ATOM 0 H VAL A 66 12.739 -8.863 -0.091 1.00 0.00 H new ATOM 0 HA VAL A 66 10.974 -6.984 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 66 10.189 -6.631 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.365 -8.920 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.254 -8.443 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.555 -9.532 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.152 -8.002 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.415 -8.575 1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.340 -6.855 2.169 1.00 0.00 H new ATOM 1047 N PHE A 67 11.637 -4.728 -0.040 1.00 0.00 N ATOM 1048 CA PHE A 67 12.223 -3.416 0.212 1.00 0.00 C ATOM 1049 C PHE A 67 11.657 -2.804 1.491 1.00 0.00 C ATOM 1050 O PHE A 67 10.578 -3.181 1.949 1.00 0.00 O ATOM 1051 CB PHE A 67 11.964 -2.482 -0.972 1.00 0.00 C ATOM 1052 CG PHE A 67 12.641 -2.919 -2.239 1.00 0.00 C ATOM 1053 CD1 PHE A 67 12.221 -4.058 -2.907 1.00 0.00 C ATOM 1054 CD2 PHE A 67 13.698 -2.192 -2.762 1.00 0.00 C ATOM 1055 CE1 PHE A 67 12.842 -4.463 -4.074 1.00 0.00 C ATOM 1056 CE2 PHE A 67 14.322 -2.591 -3.928 1.00 0.00 C ATOM 1057 CZ PHE A 67 13.895 -3.729 -4.585 1.00 0.00 C ATOM 0 H PHE A 67 10.617 -4.737 -0.065 1.00 0.00 H new ATOM 0 HA PHE A 67 13.298 -3.544 0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.890 -2.419 -1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 67 12.305 -1.479 -0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 67 11.399 -4.636 -2.511 1.00 0.00 H new ATOM 0 HD2 PHE A 67 14.038 -1.303 -2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 67 12.504 -5.352 -4.586 1.00 0.00 H new ATOM 0 HE2 PHE A 67 15.143 -2.014 -4.326 1.00 0.00 H new ATOM 0 HZ PHE A 67 14.383 -4.044 -5.496 1.00 0.00 H new ATOM 1067 N THR A 68 12.394 -1.857 2.063 1.00 0.00 N ATOM 1068 CA THR A 68 11.969 -1.194 3.289 1.00 0.00 C ATOM 1069 C THR A 68 11.776 0.302 3.066 1.00 0.00 C ATOM 1070 O THR A 68 12.670 0.987 2.569 1.00 0.00 O ATOM 1071 CB THR A 68 12.987 -1.405 4.425 1.00 0.00 C ATOM 1072 OG1 THR A 68 13.150 -2.804 4.683 1.00 0.00 O ATOM 1073 CG2 THR A 68 12.536 -0.698 5.694 1.00 0.00 C ATOM 0 H THR A 68 13.289 -1.532 1.696 1.00 0.00 H new ATOM 0 HA THR A 68 11.018 -1.642 3.577 1.00 0.00 H new ATOM 0 HB THR A 68 13.941 -0.981 4.112 1.00 0.00 H new ATOM 0 HG1 THR A 68 13.800 -2.930 5.405 1.00 0.00 H new ATOM 0 HG21 THR A 68 13.271 -0.861 6.482 1.00 0.00 H new ATOM 0 HG22 THR A 68 12.442 0.371 5.501 1.00 0.00 H new ATOM 0 HG23 THR A 68 11.571 -1.096 6.009 1.00 0.00 H new ATOM 1081 N CYS A 69 10.602 0.804 3.436 1.00 0.00 N ATOM 1082 CA CYS A 69 10.291 2.219 3.277 1.00 0.00 C ATOM 1083 C CYS A 69 11.365 3.088 3.926 1.00 0.00 C ATOM 1084 O CYS A 69 12.258 2.585 4.607 1.00 0.00 O ATOM 1085 CB CYS A 69 8.925 2.534 3.890 1.00 0.00 C ATOM 1086 SG CYS A 69 8.151 4.050 3.240 1.00 0.00 S ATOM 0 H CYS A 69 9.850 0.251 3.848 1.00 0.00 H new ATOM 0 HA CYS A 69 10.263 2.442 2.210 1.00 0.00 H new ATOM 0 HB2 CYS A 69 8.256 1.692 3.712 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.037 2.630 4.970 1.00 0.00 H new ATOM 1091 N SER A 70 11.270 4.396 3.709 1.00 0.00 N ATOM 1092 CA SER A 70 12.234 5.336 4.269 1.00 0.00 C ATOM 1093 C SER A 70 11.575 6.235 5.310 1.00 0.00 C ATOM 1094 O SER A 70 12.162 7.220 5.758 1.00 0.00 O ATOM 1095 CB SER A 70 12.851 6.189 3.158 1.00 0.00 C ATOM 1096 OG SER A 70 13.149 5.403 2.018 1.00 0.00 O ATOM 0 H SER A 70 10.535 4.829 3.149 1.00 0.00 H new ATOM 0 HA SER A 70 13.022 4.763 4.757 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.162 6.988 2.883 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.761 6.665 3.523 1.00 0.00 H new ATOM 0 HG SER A 70 13.540 5.971 1.322 1.00 0.00 H new ATOM 1102 N VAL A 71 10.349 5.890 5.690 1.00 0.00 N ATOM 1103 CA VAL A 71 9.608 6.664 6.678 1.00 0.00 C ATOM 1104 C VAL A 71 8.959 5.754 7.715 1.00 0.00 C ATOM 1105 O VAL A 71 9.011 6.025 8.915 1.00 0.00 O ATOM 1106 CB VAL A 71 8.519 7.527 6.014 1.00 0.00 C ATOM 1107 CG1 VAL A 71 7.811 8.386 7.051 1.00 0.00 C ATOM 1108 CG2 VAL A 71 9.119 8.390 4.915 1.00 0.00 C ATOM 0 H VAL A 71 9.848 5.079 5.328 1.00 0.00 H new ATOM 0 HA VAL A 71 10.327 7.318 7.172 1.00 0.00 H new ATOM 0 HB VAL A 71 7.781 6.864 5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.045 8.989 6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.346 7.744 7.799 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.534 9.042 7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.335 8.993 4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.879 9.045 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 71 9.574 7.751 4.158 1.00 0.00 H new ATOM 1118 N CYS A 72 8.346 4.673 7.244 1.00 0.00 N ATOM 1119 CA CYS A 72 7.685 3.722 8.129 1.00 0.00 C ATOM 1120 C CYS A 72 8.349 2.350 8.046 1.00 0.00 C ATOM 1121 O CYS A 72 7.941 1.410 8.727 1.00 0.00 O ATOM 1122 CB CYS A 72 6.202 3.605 7.772 1.00 0.00 C ATOM 1123 SG CYS A 72 5.890 2.979 6.090 1.00 0.00 S ATOM 0 H CYS A 72 8.293 4.434 6.254 1.00 0.00 H new ATOM 0 HA CYS A 72 7.777 4.091 9.151 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.717 2.944 8.490 1.00 0.00 H new ATOM 0 HB3 CYS A 72 5.736 4.585 7.876 1.00 0.00 H new ATOM 1128 N GLN A 73 9.374 2.245 7.207 1.00 0.00 N ATOM 1129 CA GLN A 73 10.094 0.989 7.034 1.00 0.00 C ATOM 1130 C GLN A 73 9.150 -0.123 6.589 1.00 0.00 C ATOM 1131 O GLN A 73 9.316 -1.281 6.972 1.00 0.00 O ATOM 1132 CB GLN A 73 10.790 0.592 8.337 1.00 0.00 C ATOM 1133 CG GLN A 73 11.532 1.739 9.004 1.00 0.00 C ATOM 1134 CD GLN A 73 12.340 2.562 8.021 1.00 0.00 C ATOM 1135 OE1 GLN A 73 13.381 2.122 7.533 1.00 0.00 O ATOM 1136 NE2 GLN A 73 11.863 3.765 7.723 1.00 0.00 N ATOM 0 H GLN A 73 9.725 3.014 6.636 1.00 0.00 H new ATOM 0 HA GLN A 73 10.846 1.134 6.258 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.047 0.199 9.031 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.494 -0.215 8.132 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.815 2.385 9.510 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.197 1.340 9.770 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.996 4.090 8.151 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.364 4.364 7.066 1.00 0.00 H new ATOM 1145 N GLU A 74 8.159 0.237 5.779 1.00 0.00 N ATOM 1146 CA GLU A 74 7.188 -0.731 5.284 1.00 0.00 C ATOM 1147 C GLU A 74 7.885 -1.881 4.563 1.00 0.00 C ATOM 1148 O GLU A 74 9.113 -1.973 4.557 1.00 0.00 O ATOM 1149 CB GLU A 74 6.193 -0.052 4.341 1.00 0.00 C ATOM 1150 CG GLU A 74 4.765 -0.546 4.503 1.00 0.00 C ATOM 1151 CD GLU A 74 4.383 -0.757 5.955 1.00 0.00 C ATOM 1152 OE1 GLU A 74 4.830 0.040 6.807 1.00 0.00 O ATOM 1153 OE2 GLU A 74 3.637 -1.717 6.239 1.00 0.00 O ATOM 0 H GLU A 74 8.008 1.191 5.452 1.00 0.00 H new ATOM 0 HA GLU A 74 6.648 -1.136 6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.218 1.024 4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.511 -0.217 3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.082 0.174 4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.645 -1.483 3.959 1.00 0.00 H new ATOM 1160 N THR A 75 7.093 -2.758 3.954 1.00 0.00 N ATOM 1161 CA THR A 75 7.632 -3.903 3.232 1.00 0.00 C ATOM 1162 C THR A 75 7.056 -3.985 1.823 1.00 0.00 C ATOM 1163 O THR A 75 5.840 -4.052 1.641 1.00 0.00 O ATOM 1164 CB THR A 75 7.340 -5.222 3.971 1.00 0.00 C ATOM 1165 OG1 THR A 75 5.970 -5.257 4.388 1.00 0.00 O ATOM 1166 CG2 THR A 75 8.248 -5.377 5.182 1.00 0.00 C ATOM 0 H THR A 75 6.075 -2.697 3.947 1.00 0.00 H new ATOM 0 HA THR A 75 8.711 -3.760 3.173 1.00 0.00 H new ATOM 0 HB THR A 75 7.532 -6.047 3.285 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.412 -4.815 3.714 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.023 -6.316 5.688 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.289 -5.379 4.858 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.084 -4.547 5.869 1.00 0.00 H new ATOM 1174 N PHE A 76 7.936 -3.980 0.827 1.00 0.00 N ATOM 1175 CA PHE A 76 7.514 -4.054 -0.567 1.00 0.00 C ATOM 1176 C PHE A 76 8.286 -5.139 -1.312 1.00 0.00 C ATOM 1177 O PHE A 76 9.511 -5.081 -1.421 1.00 0.00 O ATOM 1178 CB PHE A 76 7.719 -2.703 -1.255 1.00 0.00 C ATOM 1179 CG PHE A 76 7.261 -1.534 -0.431 1.00 0.00 C ATOM 1180 CD1 PHE A 76 8.115 -0.936 0.482 1.00 0.00 C ATOM 1181 CD2 PHE A 76 5.976 -1.034 -0.568 1.00 0.00 C ATOM 1182 CE1 PHE A 76 7.697 0.140 1.242 1.00 0.00 C ATOM 1183 CE2 PHE A 76 5.553 0.042 0.189 1.00 0.00 C ATOM 1184 CZ PHE A 76 6.414 0.629 1.096 1.00 0.00 C ATOM 0 H PHE A 76 8.946 -3.925 0.959 1.00 0.00 H new ATOM 0 HA PHE A 76 6.454 -4.308 -0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.777 -2.580 -1.489 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.181 -2.702 -2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.119 -1.315 0.601 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.298 -1.490 -1.274 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.373 0.598 1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.550 0.424 0.072 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.084 1.469 1.690 1.00 0.00 H new ATOM 1194 N ARG A 77 7.560 -6.129 -1.821 1.00 0.00 N ATOM 1195 CA ARG A 77 8.175 -7.229 -2.554 1.00 0.00 C ATOM 1196 C ARG A 77 9.008 -6.706 -3.721 1.00 0.00 C ATOM 1197 O ARG A 77 9.977 -7.340 -4.137 1.00 0.00 O ATOM 1198 CB ARG A 77 7.102 -8.189 -3.070 1.00 0.00 C ATOM 1199 CG ARG A 77 6.097 -7.535 -4.005 1.00 0.00 C ATOM 1200 CD ARG A 77 4.905 -6.980 -3.241 1.00 0.00 C ATOM 1201 NE ARG A 77 5.092 -5.577 -2.881 1.00 0.00 N ATOM 1202 CZ ARG A 77 4.339 -4.940 -1.990 1.00 0.00 C ATOM 1203 NH1 ARG A 77 3.355 -5.579 -1.372 1.00 0.00 N ATOM 1204 NH2 ARG A 77 4.570 -3.663 -1.716 1.00 0.00 N ATOM 0 H ARG A 77 6.545 -6.192 -1.739 1.00 0.00 H new ATOM 0 HA ARG A 77 8.834 -7.765 -1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.586 -9.015 -3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.570 -8.616 -2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.583 -6.731 -4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.753 -8.264 -4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.006 -7.082 -3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.748 -7.569 -2.337 1.00 0.00 H new ATOM 0 HE ARG A 77 5.841 -5.058 -3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.175 -6.561 -1.580 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.778 -5.088 -0.689 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.326 -3.169 -2.189 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.991 -3.175 -1.032 1.00 0.00 H new ATOM 1218 N ARG A 78 8.623 -5.546 -4.243 1.00 0.00 N ATOM 1219 CA ARG A 78 9.333 -4.939 -5.362 1.00 0.00 C ATOM 1220 C ARG A 78 9.721 -3.498 -5.043 1.00 0.00 C ATOM 1221 O ARG A 78 9.157 -2.879 -4.141 1.00 0.00 O ATOM 1222 CB ARG A 78 8.469 -4.978 -6.624 1.00 0.00 C ATOM 1223 CG ARG A 78 8.093 -6.384 -7.061 1.00 0.00 C ATOM 1224 CD ARG A 78 7.154 -6.363 -8.257 1.00 0.00 C ATOM 1225 NE ARG A 78 7.876 -6.215 -9.518 1.00 0.00 N ATOM 1226 CZ ARG A 78 7.286 -6.220 -10.708 1.00 0.00 C ATOM 1227 NH1 ARG A 78 5.972 -6.366 -10.799 1.00 0.00 N ATOM 1228 NH2 ARG A 78 8.012 -6.079 -11.810 1.00 0.00 N ATOM 0 H ARG A 78 7.823 -5.008 -3.909 1.00 0.00 H new ATOM 0 HA ARG A 78 10.244 -5.513 -5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.558 -4.405 -6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.004 -4.485 -7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.995 -6.941 -7.315 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.617 -6.909 -6.233 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.573 -7.285 -8.278 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.445 -5.542 -8.147 1.00 0.00 H new ATOM 0 HE ARG A 78 8.889 -6.102 -9.483 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.411 -6.475 -9.954 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.521 -6.369 -11.714 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.024 -5.967 -11.743 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.558 -6.083 -12.724 1.00 0.00 H new ATOM 1242 N ARG A 79 10.688 -2.972 -5.788 1.00 0.00 N ATOM 1243 CA ARG A 79 11.152 -1.606 -5.583 1.00 0.00 C ATOM 1244 C ARG A 79 10.074 -0.600 -5.977 1.00 0.00 C ATOM 1245 O ARG A 79 9.599 0.173 -5.146 1.00 0.00 O ATOM 1246 CB ARG A 79 12.424 -1.350 -6.394 1.00 0.00 C ATOM 1247 CG ARG A 79 12.894 0.095 -6.350 1.00 0.00 C ATOM 1248 CD ARG A 79 14.404 0.195 -6.502 1.00 0.00 C ATOM 1249 NE ARG A 79 14.808 0.298 -7.901 1.00 0.00 N ATOM 1250 CZ ARG A 79 16.061 0.504 -8.292 1.00 0.00 C ATOM 1251 NH1 ARG A 79 17.027 0.628 -7.392 1.00 0.00 N ATOM 1252 NH2 ARG A 79 16.349 0.587 -9.584 1.00 0.00 N ATOM 0 H ARG A 79 11.165 -3.471 -6.539 1.00 0.00 H new ATOM 0 HA ARG A 79 11.373 -1.479 -4.523 1.00 0.00 H new ATOM 0 HB2 ARG A 79 13.220 -1.994 -6.019 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.247 -1.634 -7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.409 0.661 -7.145 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.591 0.549 -5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 79 14.766 1.065 -5.955 1.00 0.00 H new ATOM 0 HD3 ARG A 79 14.872 -0.681 -6.053 1.00 0.00 H new ATOM 0 HE ARG A 79 14.088 0.207 -8.618 1.00 0.00 H new ATOM 0 HH11 ARG A 79 16.809 0.565 -6.398 1.00 0.00 H new ATOM 0 HH12 ARG A 79 17.988 0.786 -7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 79 15.608 0.493 -10.279 1.00 0.00 H new ATOM 0 HH22 ARG A 79 17.311 0.745 -9.883 1.00 0.00 H new ATOM 1266 N MET A 80 9.694 -0.617 -7.250 1.00 0.00 N ATOM 1267 CA MET A 80 8.672 0.293 -7.754 1.00 0.00 C ATOM 1268 C MET A 80 7.570 0.499 -6.720 1.00 0.00 C ATOM 1269 O MET A 80 7.174 1.629 -6.438 1.00 0.00 O ATOM 1270 CB MET A 80 8.073 -0.247 -9.054 1.00 0.00 C ATOM 1271 CG MET A 80 6.997 0.649 -9.646 1.00 0.00 C ATOM 1272 SD MET A 80 7.674 1.929 -10.721 1.00 0.00 S ATOM 1273 CE MET A 80 7.956 3.247 -9.541 1.00 0.00 C ATOM 0 H MET A 80 10.078 -1.250 -7.951 1.00 0.00 H new ATOM 0 HA MET A 80 9.144 1.255 -7.953 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.870 -0.375 -9.786 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.650 -1.234 -8.867 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.293 0.039 -10.212 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.435 1.118 -8.838 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.852 4.210 -10.040 1.00 0.00 H new ATOM 0 HE2 MET A 80 7.226 3.176 -8.735 1.00 0.00 H new ATOM 0 HE3 MET A 80 8.961 3.158 -9.129 1.00 0.00 H new ATOM 1283 N GLU A 81 7.079 -0.601 -6.158 1.00 0.00 N ATOM 1284 CA GLU A 81 6.021 -0.540 -5.156 1.00 0.00 C ATOM 1285 C GLU A 81 6.330 0.521 -4.103 1.00 0.00 C ATOM 1286 O GLU A 81 5.499 1.383 -3.813 1.00 0.00 O ATOM 1287 CB GLU A 81 5.845 -1.903 -4.484 1.00 0.00 C ATOM 1288 CG GLU A 81 5.307 -2.976 -5.416 1.00 0.00 C ATOM 1289 CD GLU A 81 3.962 -2.610 -6.012 1.00 0.00 C ATOM 1290 OE1 GLU A 81 3.154 -1.970 -5.307 1.00 0.00 O ATOM 1291 OE2 GLU A 81 3.718 -2.963 -7.185 1.00 0.00 O ATOM 0 H GLU A 81 7.397 -1.545 -6.379 1.00 0.00 H new ATOM 0 HA GLU A 81 5.094 -0.269 -5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.806 -2.229 -4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.167 -1.796 -3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.023 -3.145 -6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.215 -3.914 -4.869 1.00 0.00 H new ATOM 1298 N LEU A 82 7.529 0.452 -3.536 1.00 0.00 N ATOM 1299 CA LEU A 82 7.948 1.406 -2.515 1.00 0.00 C ATOM 1300 C LEU A 82 7.811 2.839 -3.020 1.00 0.00 C ATOM 1301 O LEU A 82 7.481 3.747 -2.257 1.00 0.00 O ATOM 1302 CB LEU A 82 9.396 1.136 -2.101 1.00 0.00 C ATOM 1303 CG LEU A 82 10.098 2.263 -1.341 1.00 0.00 C ATOM 1304 CD1 LEU A 82 9.375 2.558 -0.036 1.00 0.00 C ATOM 1305 CD2 LEU A 82 11.553 1.902 -1.077 1.00 0.00 C ATOM 0 H LEU A 82 8.228 -0.254 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 82 7.299 1.282 -1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.414 0.240 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.974 0.915 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 82 10.073 3.162 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.889 3.362 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.350 2.860 -0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.368 1.663 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.037 2.715 -0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.599 0.991 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.066 1.742 -2.025 1.00 0.00 H new ATOM 1317 N ARG A 83 8.064 3.034 -4.310 1.00 0.00 N ATOM 1318 CA ARG A 83 7.968 4.356 -4.917 1.00 0.00 C ATOM 1319 C ARG A 83 6.522 4.843 -4.930 1.00 0.00 C ATOM 1320 O ARG A 83 6.247 6.012 -4.655 1.00 0.00 O ATOM 1321 CB ARG A 83 8.521 4.327 -6.343 1.00 0.00 C ATOM 1322 CG ARG A 83 9.948 3.812 -6.433 1.00 0.00 C ATOM 1323 CD ARG A 83 10.933 4.788 -5.809 1.00 0.00 C ATOM 1324 NE ARG A 83 11.445 5.746 -6.785 1.00 0.00 N ATOM 1325 CZ ARG A 83 11.948 6.931 -6.457 1.00 0.00 C ATOM 1326 NH1 ARG A 83 12.005 7.302 -5.186 1.00 0.00 N ATOM 1327 NH2 ARG A 83 12.394 7.748 -7.403 1.00 0.00 N ATOM 0 H ARG A 83 8.337 2.293 -4.955 1.00 0.00 H new ATOM 0 HA ARG A 83 8.561 5.048 -4.319 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.878 3.700 -6.960 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.480 5.333 -6.760 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.021 2.848 -5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.211 3.646 -7.478 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.446 5.325 -4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.765 4.235 -5.373 1.00 0.00 H new ATOM 0 HE ARG A 83 11.415 5.491 -7.772 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.662 6.677 -4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.392 8.212 -4.937 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.351 7.466 -8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.780 8.658 -7.151 1.00 0.00 H new ATOM 1341 N LEU A 84 5.602 3.941 -5.253 1.00 0.00 N ATOM 1342 CA LEU A 84 4.183 4.279 -5.303 1.00 0.00 C ATOM 1343 C LEU A 84 3.616 4.456 -3.898 1.00 0.00 C ATOM 1344 O LEU A 84 2.564 5.069 -3.715 1.00 0.00 O ATOM 1345 CB LEU A 84 3.406 3.192 -6.046 1.00 0.00 C ATOM 1346 CG LEU A 84 4.099 2.587 -7.267 1.00 0.00 C ATOM 1347 CD1 LEU A 84 3.204 1.551 -7.930 1.00 0.00 C ATOM 1348 CD2 LEU A 84 4.480 3.677 -8.258 1.00 0.00 C ATOM 0 H LEU A 84 5.813 2.970 -5.484 1.00 0.00 H new ATOM 0 HA LEU A 84 4.078 5.222 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.184 2.388 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.451 3.610 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 84 5.011 2.090 -6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.714 1.131 -8.797 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.981 0.755 -7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.275 2.023 -8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.972 3.228 -9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.582 4.202 -8.585 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.159 4.383 -7.779 1.00 0.00 H new ATOM 1360 N HIS A 85 4.321 3.917 -2.908 1.00 0.00 N ATOM 1361 CA HIS A 85 3.889 4.018 -1.519 1.00 0.00 C ATOM 1362 C HIS A 85 4.404 5.305 -0.882 1.00 0.00 C ATOM 1363 O HIS A 85 3.705 5.942 -0.094 1.00 0.00 O ATOM 1364 CB HIS A 85 4.379 2.809 -0.721 1.00 0.00 C ATOM 1365 CG HIS A 85 4.353 3.019 0.762 1.00 0.00 C ATOM 1366 ND1 HIS A 85 3.341 2.548 1.571 1.00 0.00 N ATOM 1367 CD2 HIS A 85 5.224 3.654 1.581 1.00 0.00 C ATOM 1368 CE1 HIS A 85 3.590 2.884 2.824 1.00 0.00 C ATOM 1369 NE2 HIS A 85 4.727 3.556 2.858 1.00 0.00 N ATOM 0 H HIS A 85 5.194 3.406 -3.042 1.00 0.00 H new ATOM 0 HA HIS A 85 2.799 4.037 -1.504 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.761 1.946 -0.968 1.00 0.00 H new ATOM 0 HB3 HIS A 85 5.397 2.570 -1.028 1.00 0.00 H new ATOM 0 HD1 HIS A 85 2.527 2.022 1.252 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.139 4.146 1.286 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.969 2.649 3.676 1.00 0.00 H new ATOM 1377 N MET A 86 5.631 5.682 -1.228 1.00 0.00 N ATOM 1378 CA MET A 86 6.238 6.893 -0.690 1.00 0.00 C ATOM 1379 C MET A 86 5.298 8.085 -0.836 1.00 0.00 C ATOM 1380 O MET A 86 5.410 9.071 -0.108 1.00 0.00 O ATOM 1381 CB MET A 86 7.562 7.184 -1.399 1.00 0.00 C ATOM 1382 CG MET A 86 8.647 6.160 -1.104 1.00 0.00 C ATOM 1383 SD MET A 86 9.758 6.686 0.215 1.00 0.00 S ATOM 1384 CE MET A 86 8.612 6.837 1.583 1.00 0.00 C ATOM 0 H MET A 86 6.224 5.166 -1.878 1.00 0.00 H new ATOM 0 HA MET A 86 6.429 6.732 0.371 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.389 7.218 -2.475 1.00 0.00 H new ATOM 0 HB3 MET A 86 7.915 8.171 -1.101 1.00 0.00 H new ATOM 0 HG2 MET A 86 8.182 5.214 -0.827 1.00 0.00 H new ATOM 0 HG3 MET A 86 9.225 5.978 -2.010 1.00 0.00 H new ATOM 0 HE1 MET A 86 9.143 6.679 2.522 1.00 0.00 H new ATOM 0 HE2 MET A 86 8.170 7.834 1.579 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.824 6.091 1.482 1.00 0.00 H new ATOM 1394 N VAL A 87 4.370 7.988 -1.784 1.00 0.00 N ATOM 1395 CA VAL A 87 3.409 9.057 -2.025 1.00 0.00 C ATOM 1396 C VAL A 87 2.609 9.372 -0.766 1.00 0.00 C ATOM 1397 O VAL A 87 2.174 10.505 -0.561 1.00 0.00 O ATOM 1398 CB VAL A 87 2.435 8.691 -3.161 1.00 0.00 C ATOM 1399 CG1 VAL A 87 3.181 8.033 -4.312 1.00 0.00 C ATOM 1400 CG2 VAL A 87 1.330 7.784 -2.643 1.00 0.00 C ATOM 0 H VAL A 87 4.264 7.180 -2.397 1.00 0.00 H new ATOM 0 HA VAL A 87 3.982 9.937 -2.317 1.00 0.00 H new ATOM 0 HB VAL A 87 1.977 9.607 -3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.477 7.781 -5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.933 8.721 -4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.668 7.125 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.651 7.535 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.768 6.869 -2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.778 8.296 -1.855 1.00 0.00 H new ATOM 1410 N SER A 88 2.418 8.360 0.075 1.00 0.00 N ATOM 1411 CA SER A 88 1.667 8.528 1.314 1.00 0.00 C ATOM 1412 C SER A 88 2.456 9.361 2.319 1.00 0.00 C ATOM 1413 O SER A 88 1.911 9.824 3.322 1.00 0.00 O ATOM 1414 CB SER A 88 1.329 7.164 1.918 1.00 0.00 C ATOM 1415 OG SER A 88 2.502 6.479 2.320 1.00 0.00 O ATOM 0 H SER A 88 2.773 7.416 -0.079 1.00 0.00 H new ATOM 0 HA SER A 88 0.741 9.054 1.081 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.669 7.296 2.776 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.786 6.564 1.188 1.00 0.00 H new ATOM 0 HG SER A 88 2.974 6.146 1.528 1.00 0.00 H new ATOM 1421 N HIS A 89 3.743 9.547 2.043 1.00 0.00 N ATOM 1422 CA HIS A 89 4.608 10.325 2.923 1.00 0.00 C ATOM 1423 C HIS A 89 4.899 11.698 2.324 1.00 0.00 C ATOM 1424 O HIS A 89 5.226 12.644 3.041 1.00 0.00 O ATOM 1425 CB HIS A 89 5.918 9.578 3.176 1.00 0.00 C ATOM 1426 CG HIS A 89 5.748 8.327 3.982 1.00 0.00 C ATOM 1427 ND1 HIS A 89 5.182 8.313 5.239 1.00 0.00 N ATOM 1428 CD2 HIS A 89 6.071 7.043 3.702 1.00 0.00 C ATOM 1429 CE1 HIS A 89 5.167 7.075 5.699 1.00 0.00 C ATOM 1430 NE2 HIS A 89 5.700 6.284 4.785 1.00 0.00 N ATOM 0 H HIS A 89 4.209 9.170 1.218 1.00 0.00 H new ATOM 0 HA HIS A 89 4.089 10.464 3.871 1.00 0.00 H new ATOM 0 HB2 HIS A 89 6.373 9.324 2.218 1.00 0.00 H new ATOM 0 HB3 HIS A 89 6.611 10.242 3.692 1.00 0.00 H new ATOM 0 HD1 HIS A 89 4.830 9.131 5.736 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.534 6.682 2.796 1.00 0.00 H new ATOM 0 HE1 HIS A 89 4.784 6.762 6.659 1.00 0.00 H new ATOM 1438 N THR A 90 4.780 11.799 1.003 1.00 0.00 N ATOM 1439 CA THR A 90 5.032 13.055 0.307 1.00 0.00 C ATOM 1440 C THR A 90 3.738 13.829 0.084 1.00 0.00 C ATOM 1441 O THR A 90 3.736 15.059 0.062 1.00 0.00 O ATOM 1442 CB THR A 90 5.715 12.816 -1.052 1.00 0.00 C ATOM 1443 OG1 THR A 90 4.975 11.853 -1.810 1.00 0.00 O ATOM 1444 CG2 THR A 90 7.144 12.329 -0.862 1.00 0.00 C ATOM 0 H THR A 90 4.511 11.026 0.394 1.00 0.00 H new ATOM 0 HA THR A 90 5.697 13.641 0.942 1.00 0.00 H new ATOM 0 HB THR A 90 5.739 13.762 -1.592 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.415 11.708 -2.673 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.606 12.167 -1.836 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.713 13.077 -0.310 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.138 11.393 -0.303 1.00 0.00 H new ATOM 1452 N GLY A 91 2.638 13.100 -0.080 1.00 0.00 N ATOM 1453 CA GLY A 91 1.353 13.737 -0.299 1.00 0.00 C ATOM 1454 C GLY A 91 0.802 13.470 -1.685 1.00 0.00 C ATOM 1455 O GLY A 91 -0.392 13.219 -1.848 1.00 0.00 O ATOM 0 H GLY A 91 2.614 12.080 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.642 13.380 0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.454 14.812 -0.153 1.00 0.00 H new ATOM 1459 N GLU A 92 1.673 13.525 -2.688 1.00 0.00 N ATOM 1460 CA GLU A 92 1.266 13.289 -4.068 1.00 0.00 C ATOM 1461 C GLU A 92 2.480 13.050 -4.960 1.00 0.00 C ATOM 1462 O GLU A 92 3.563 13.577 -4.708 1.00 0.00 O ATOM 1463 CB GLU A 92 0.458 14.478 -4.594 1.00 0.00 C ATOM 1464 CG GLU A 92 -1.044 14.252 -4.569 1.00 0.00 C ATOM 1465 CD GLU A 92 -1.825 15.541 -4.405 1.00 0.00 C ATOM 1466 OE1 GLU A 92 -1.463 16.345 -3.520 1.00 0.00 O ATOM 1467 OE2 GLU A 92 -2.798 15.746 -5.160 1.00 0.00 O ATOM 0 H GLU A 92 2.665 13.731 -2.570 1.00 0.00 H new ATOM 0 HA GLU A 92 0.641 12.396 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.694 15.359 -3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.768 14.693 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.349 13.762 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.292 13.575 -3.752 1.00 0.00 H new ATOM 1474 N MET A 93 2.291 12.250 -6.005 1.00 0.00 N ATOM 1475 CA MET A 93 3.370 11.941 -6.936 1.00 0.00 C ATOM 1476 C MET A 93 3.740 13.166 -7.765 1.00 0.00 C ATOM 1477 O MET A 93 2.926 14.062 -7.991 1.00 0.00 O ATOM 1478 CB MET A 93 2.962 10.790 -7.858 1.00 0.00 C ATOM 1479 CG MET A 93 2.637 9.504 -7.117 1.00 0.00 C ATOM 1480 SD MET A 93 2.779 8.043 -8.165 1.00 0.00 S ATOM 1481 CE MET A 93 4.517 7.657 -7.972 1.00 0.00 C ATOM 0 H MET A 93 1.401 11.804 -6.228 1.00 0.00 H new ATOM 0 HA MET A 93 4.243 11.640 -6.356 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.093 11.093 -8.441 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.769 10.598 -8.565 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.308 9.401 -6.264 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.624 9.564 -6.720 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.806 6.903 -8.704 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.109 8.559 -8.127 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.695 7.274 -6.967 1.00 0.00 H new ATOM 1491 N PRO A 94 4.997 13.209 -8.231 1.00 0.00 N ATOM 1492 CA PRO A 94 5.503 14.320 -9.043 1.00 0.00 C ATOM 1493 C PRO A 94 4.882 14.350 -10.436 1.00 0.00 C ATOM 1494 O PRO A 94 4.580 15.418 -10.968 1.00 0.00 O ATOM 1495 CB PRO A 94 7.005 14.038 -9.133 1.00 0.00 C ATOM 1496 CG PRO A 94 7.126 12.565 -8.945 1.00 0.00 C ATOM 1497 CD PRO A 94 6.021 12.177 -8.001 1.00 0.00 C ATOM 0 HA PRO A 94 5.263 15.288 -8.604 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.409 14.349 -10.097 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.557 14.582 -8.366 1.00 0.00 H new ATOM 0 HG2 PRO A 94 7.029 12.041 -9.896 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.101 12.303 -8.534 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.641 11.179 -8.217 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.361 12.172 -6.965 1.00 0.00 H new ATOM 1505 N TYR A 95 4.694 13.172 -11.020 1.00 0.00 N ATOM 1506 CA TYR A 95 4.110 13.064 -12.351 1.00 0.00 C ATOM 1507 C TYR A 95 2.696 12.495 -12.282 1.00 0.00 C ATOM 1508 O TYR A 95 2.363 11.735 -11.372 1.00 0.00 O ATOM 1509 CB TYR A 95 4.984 12.181 -13.244 1.00 0.00 C ATOM 1510 CG TYR A 95 6.359 12.754 -13.502 1.00 0.00 C ATOM 1511 CD1 TYR A 95 6.588 13.604 -14.577 1.00 0.00 C ATOM 1512 CD2 TYR A 95 7.430 12.444 -12.672 1.00 0.00 C ATOM 1513 CE1 TYR A 95 7.843 14.130 -14.817 1.00 0.00 C ATOM 1514 CE2 TYR A 95 8.687 12.966 -12.904 1.00 0.00 C ATOM 1515 CZ TYR A 95 8.889 13.808 -13.978 1.00 0.00 C ATOM 1516 OH TYR A 95 10.141 14.329 -14.213 1.00 0.00 O ATOM 0 H TYR A 95 4.938 12.279 -10.592 1.00 0.00 H new ATOM 0 HA TYR A 95 4.058 14.065 -12.779 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.089 11.201 -12.780 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.478 12.029 -14.197 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.771 13.858 -15.236 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.276 11.784 -11.831 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.004 14.790 -15.657 1.00 0.00 H new ATOM 0 HE2 TYR A 95 9.508 12.716 -12.248 1.00 0.00 H new ATOM 0 HH TYR A 95 10.764 14.004 -13.530 1.00 0.00 H new ATOM 1526 N LYS A 96 1.867 12.867 -13.251 1.00 0.00 N ATOM 1527 CA LYS A 96 0.489 12.395 -13.304 1.00 0.00 C ATOM 1528 C LYS A 96 -0.023 12.370 -14.741 1.00 0.00 C ATOM 1529 O LYS A 96 0.306 13.244 -15.543 1.00 0.00 O ATOM 1530 CB LYS A 96 -0.411 13.286 -12.446 1.00 0.00 C ATOM 1531 CG LYS A 96 -0.707 12.709 -11.073 1.00 0.00 C ATOM 1532 CD LYS A 96 -1.150 13.788 -10.098 1.00 0.00 C ATOM 1533 CE LYS A 96 0.040 14.462 -9.434 1.00 0.00 C ATOM 1534 NZ LYS A 96 0.460 13.750 -8.195 1.00 0.00 N ATOM 0 H LYS A 96 2.126 13.495 -14.012 1.00 0.00 H new ATOM 0 HA LYS A 96 0.464 11.379 -12.910 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.064 14.260 -12.327 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.351 13.452 -12.972 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.486 11.951 -11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.183 12.211 -10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.745 14.534 -10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.793 13.349 -9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.875 14.497 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.216 15.493 -9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.439 14.010 -7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.167 14.019 -7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.402 12.723 -8.348 1.00 0.00 H new ATOM 1548 N CYS A 97 -0.831 11.364 -15.059 1.00 0.00 N ATOM 1549 CA CYS A 97 -1.389 11.226 -16.399 1.00 0.00 C ATOM 1550 C CYS A 97 -2.582 12.159 -16.590 1.00 0.00 C ATOM 1551 O CYS A 97 -2.896 12.968 -15.717 1.00 0.00 O ATOM 1552 CB CYS A 97 -1.816 9.778 -16.649 1.00 0.00 C ATOM 1553 SG CYS A 97 -1.635 9.238 -18.380 1.00 0.00 S ATOM 0 H CYS A 97 -1.114 10.632 -14.407 1.00 0.00 H new ATOM 0 HA CYS A 97 -0.617 11.500 -17.118 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -1.225 9.121 -16.011 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -2.858 9.661 -16.350 1.00 0.00 H new ATOM 1558 N SER A 98 -3.242 12.039 -17.737 1.00 0.00 N ATOM 1559 CA SER A 98 -4.397 12.873 -18.045 1.00 0.00 C ATOM 1560 C SER A 98 -5.602 12.016 -18.421 1.00 0.00 C ATOM 1561 O SER A 98 -6.722 12.272 -17.978 1.00 0.00 O ATOM 1562 CB SER A 98 -4.067 13.838 -19.186 1.00 0.00 C ATOM 1563 OG SER A 98 -3.300 14.934 -18.721 1.00 0.00 O ATOM 0 H SER A 98 -2.996 11.372 -18.469 1.00 0.00 H new ATOM 0 HA SER A 98 -4.646 13.448 -17.153 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.517 13.310 -19.965 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.990 14.202 -19.637 1.00 0.00 H new ATOM 0 HG SER A 98 -3.101 15.535 -19.469 1.00 0.00 H new ATOM 1569 N SER A 99 -5.363 10.998 -19.241 1.00 0.00 N ATOM 1570 CA SER A 99 -6.428 10.104 -19.680 1.00 0.00 C ATOM 1571 C SER A 99 -6.896 9.212 -18.535 1.00 0.00 C ATOM 1572 O SER A 99 -8.094 8.996 -18.350 1.00 0.00 O ATOM 1573 CB SER A 99 -5.949 9.242 -20.850 1.00 0.00 C ATOM 1574 OG SER A 99 -6.201 9.879 -22.090 1.00 0.00 O ATOM 0 H SER A 99 -4.441 10.772 -19.615 1.00 0.00 H new ATOM 0 HA SER A 99 -7.269 10.715 -20.008 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.881 9.047 -20.748 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.454 8.276 -20.825 1.00 0.00 H new ATOM 0 HG SER A 99 -5.884 9.309 -22.821 1.00 0.00 H new ATOM 1580 N CYS A 100 -5.942 8.695 -17.768 1.00 0.00 N ATOM 1581 CA CYS A 100 -6.254 7.826 -16.639 1.00 0.00 C ATOM 1582 C CYS A 100 -5.925 8.512 -15.317 1.00 0.00 C ATOM 1583 O CYS A 100 -6.153 7.955 -14.243 1.00 0.00 O ATOM 1584 CB CYS A 100 -5.478 6.512 -16.752 1.00 0.00 C ATOM 1585 SG CYS A 100 -3.671 6.701 -16.615 1.00 0.00 S ATOM 0 H CYS A 100 -4.946 8.863 -17.908 1.00 0.00 H new ATOM 0 HA CYS A 100 -7.323 7.613 -16.660 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -5.821 5.832 -15.973 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -5.712 6.045 -17.709 1.00 0.00 H new ATOM 1590 N SER A 101 -5.387 9.725 -15.403 1.00 0.00 N ATOM 1591 CA SER A 101 -5.023 10.486 -14.214 1.00 0.00 C ATOM 1592 C SER A 101 -4.092 9.677 -13.315 1.00 0.00 C ATOM 1593 O SER A 101 -4.067 9.867 -12.099 1.00 0.00 O ATOM 1594 CB SER A 101 -6.277 10.889 -13.437 1.00 0.00 C ATOM 1595 OG SER A 101 -6.889 9.762 -12.835 1.00 0.00 O ATOM 0 H SER A 101 -5.194 10.201 -16.284 1.00 0.00 H new ATOM 0 HA SER A 101 -4.498 11.386 -14.535 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.015 11.617 -12.670 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.984 11.375 -14.109 1.00 0.00 H new ATOM 0 HG SER A 101 -6.412 8.949 -13.103 1.00 0.00 H new ATOM 1601 N GLN A 102 -3.329 8.775 -13.923 1.00 0.00 N ATOM 1602 CA GLN A 102 -2.397 7.937 -13.178 1.00 0.00 C ATOM 1603 C GLN A 102 -1.355 8.787 -12.459 1.00 0.00 C ATOM 1604 O GLN A 102 -1.439 10.015 -12.454 1.00 0.00 O ATOM 1605 CB GLN A 102 -1.705 6.947 -14.118 1.00 0.00 C ATOM 1606 CG GLN A 102 -2.385 5.589 -14.179 1.00 0.00 C ATOM 1607 CD GLN A 102 -1.863 4.627 -13.130 1.00 0.00 C ATOM 1608 OE1 GLN A 102 -1.973 4.878 -11.930 1.00 0.00 O ATOM 1609 NE2 GLN A 102 -1.289 3.517 -13.579 1.00 0.00 N ATOM 0 H GLN A 102 -3.338 8.606 -14.929 1.00 0.00 H new ATOM 0 HA GLN A 102 -2.964 7.382 -12.431 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -1.672 7.373 -15.121 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -0.673 6.813 -13.795 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.459 5.718 -14.045 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.237 5.157 -15.169 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.219 3.349 -14.583 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.918 2.832 -12.920 1.00 0.00 H new ATOM 1618 N GLN A 103 -0.375 8.125 -11.853 1.00 0.00 N ATOM 1619 CA GLN A 103 0.683 8.821 -11.129 1.00 0.00 C ATOM 1620 C GLN A 103 2.012 8.088 -11.271 1.00 0.00 C ATOM 1621 O GLN A 103 2.049 6.863 -11.383 1.00 0.00 O ATOM 1622 CB GLN A 103 0.315 8.955 -9.650 1.00 0.00 C ATOM 1623 CG GLN A 103 -1.082 9.508 -9.418 1.00 0.00 C ATOM 1624 CD GLN A 103 -1.344 9.839 -7.962 1.00 0.00 C ATOM 1625 OE1 GLN A 103 -0.474 10.651 -7.373 1.00 0.00 O flip ATOM 1626 NE2 GLN A 103 -2.318 9.369 -7.373 1.00 0.00 N flip ATOM 0 H GLN A 103 -0.291 7.108 -11.849 1.00 0.00 H new ATOM 0 HA GLN A 103 0.790 9.816 -11.560 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.393 7.977 -9.175 1.00 0.00 H new ATOM 0 HB3 GLN A 103 1.040 9.606 -9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.218 10.406 -10.021 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.818 8.780 -9.759 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.961 8.749 -7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -2.482 9.600 -6.393 1.00 0.00 H new ATOM 1635 N PHE A 104 3.104 8.847 -11.265 1.00 0.00 N ATOM 1636 CA PHE A 104 4.437 8.269 -11.394 1.00 0.00 C ATOM 1637 C PHE A 104 5.463 9.091 -10.619 1.00 0.00 C ATOM 1638 O PHE A 104 5.191 10.221 -10.216 1.00 0.00 O ATOM 1639 CB PHE A 104 4.840 8.187 -12.867 1.00 0.00 C ATOM 1640 CG PHE A 104 3.795 7.552 -13.740 1.00 0.00 C ATOM 1641 CD1 PHE A 104 2.574 8.174 -13.946 1.00 0.00 C ATOM 1642 CD2 PHE A 104 4.034 6.333 -14.354 1.00 0.00 C ATOM 1643 CE1 PHE A 104 1.611 7.591 -14.748 1.00 0.00 C ATOM 1644 CE2 PHE A 104 3.075 5.745 -15.157 1.00 0.00 C ATOM 1645 CZ PHE A 104 1.862 6.376 -15.355 1.00 0.00 C ATOM 0 H PHE A 104 3.092 9.863 -11.172 1.00 0.00 H new ATOM 0 HA PHE A 104 4.412 7.263 -10.975 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.048 9.192 -13.235 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.766 7.619 -12.951 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.373 9.125 -13.475 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.981 5.836 -14.203 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.663 8.085 -14.900 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.273 4.794 -15.629 1.00 0.00 H new ATOM 0 HZ PHE A 104 1.111 5.920 -15.983 1.00 0.00 H new ATOM 1655 N MET A 105 6.642 8.513 -10.415 1.00 0.00 N ATOM 1656 CA MET A 105 7.710 9.192 -9.689 1.00 0.00 C ATOM 1657 C MET A 105 8.697 9.840 -10.655 1.00 0.00 C ATOM 1658 O MET A 105 9.331 10.842 -10.328 1.00 0.00 O ATOM 1659 CB MET A 105 8.443 8.206 -8.778 1.00 0.00 C ATOM 1660 CG MET A 105 7.825 8.085 -7.394 1.00 0.00 C ATOM 1661 SD MET A 105 7.673 9.675 -6.559 1.00 0.00 S ATOM 1662 CE MET A 105 6.163 9.426 -5.629 1.00 0.00 C ATOM 0 H MET A 105 6.882 7.577 -10.742 1.00 0.00 H new ATOM 0 HA MET A 105 7.260 9.974 -9.078 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.451 7.224 -9.251 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.482 8.520 -8.677 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.839 7.628 -7.480 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.434 7.416 -6.786 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.220 9.975 -4.689 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.314 9.788 -6.210 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.034 8.364 -5.421 1.00 0.00 H new ATOM 1672 N GLN A 106 8.821 9.260 -11.845 1.00 0.00 N ATOM 1673 CA GLN A 106 9.732 9.781 -12.857 1.00 0.00 C ATOM 1674 C GLN A 106 8.984 10.115 -14.143 1.00 0.00 C ATOM 1675 O GLN A 106 7.887 9.612 -14.384 1.00 0.00 O ATOM 1676 CB GLN A 106 10.841 8.767 -13.146 1.00 0.00 C ATOM 1677 CG GLN A 106 11.375 8.079 -11.901 1.00 0.00 C ATOM 1678 CD GLN A 106 12.832 7.678 -12.035 1.00 0.00 C ATOM 1679 OE1 GLN A 106 13.680 8.493 -12.399 1.00 0.00 O ATOM 1680 NE2 GLN A 106 13.129 6.418 -11.740 1.00 0.00 N ATOM 0 H GLN A 106 8.302 8.430 -12.131 1.00 0.00 H new ATOM 0 HA GLN A 106 10.179 10.697 -12.470 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.461 8.012 -13.834 1.00 0.00 H new ATOM 0 HB3 GLN A 106 11.663 9.274 -13.652 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.263 8.745 -11.046 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.775 7.192 -11.695 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.394 5.777 -11.442 1.00 0.00 H new ATOM 0 HE22 GLN A 106 14.093 6.091 -11.811 1.00 0.00 H new ATOM 1689 N LYS A 107 9.584 10.968 -14.966 1.00 0.00 N ATOM 1690 CA LYS A 107 8.976 11.369 -16.229 1.00 0.00 C ATOM 1691 C LYS A 107 8.914 10.195 -17.201 1.00 0.00 C ATOM 1692 O LYS A 107 7.838 9.817 -17.666 1.00 0.00 O ATOM 1693 CB LYS A 107 9.765 12.521 -16.855 1.00 0.00 C ATOM 1694 CG LYS A 107 8.907 13.475 -17.669 1.00 0.00 C ATOM 1695 CD LYS A 107 8.917 13.112 -19.145 1.00 0.00 C ATOM 1696 CE LYS A 107 8.647 14.327 -20.019 1.00 0.00 C ATOM 1697 NZ LYS A 107 9.727 15.346 -19.902 1.00 0.00 N ATOM 0 H LYS A 107 10.491 11.395 -14.781 1.00 0.00 H new ATOM 0 HA LYS A 107 7.959 11.702 -16.024 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.265 13.080 -16.064 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.545 12.110 -17.496 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.883 13.454 -17.295 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.273 14.494 -17.541 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.883 12.680 -19.408 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.163 12.349 -19.338 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.555 14.013 -21.059 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.694 14.774 -19.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.754 15.924 -20.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.540 15.957 -19.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.642 14.869 -19.777 1.00 0.00 H new ATOM 1711 N LYS A 108 10.073 9.620 -17.502 1.00 0.00 N ATOM 1712 CA LYS A 108 10.151 8.486 -18.416 1.00 0.00 C ATOM 1713 C LYS A 108 9.123 7.421 -18.050 1.00 0.00 C ATOM 1714 O LYS A 108 8.506 6.813 -18.925 1.00 0.00 O ATOM 1715 CB LYS A 108 11.557 7.883 -18.394 1.00 0.00 C ATOM 1716 CG LYS A 108 12.012 7.451 -17.011 1.00 0.00 C ATOM 1717 CD LYS A 108 13.347 6.728 -17.064 1.00 0.00 C ATOM 1718 CE LYS A 108 13.172 5.256 -17.404 1.00 0.00 C ATOM 1719 NZ LYS A 108 14.479 4.578 -17.625 1.00 0.00 N ATOM 0 H LYS A 108 10.972 9.921 -17.126 1.00 0.00 H new ATOM 0 HA LYS A 108 9.933 8.846 -19.422 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.584 7.022 -19.062 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.263 8.614 -18.788 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.096 8.325 -16.365 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.261 6.798 -16.567 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.988 7.200 -17.808 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.851 6.823 -16.102 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.637 4.758 -16.596 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.558 5.161 -18.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.316 3.577 -17.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.979 5.037 -18.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.056 4.646 -16.762 1.00 0.00 H new ATOM 1733 N ASP A 109 8.943 7.201 -16.752 1.00 0.00 N ATOM 1734 CA ASP A 109 7.987 6.210 -16.270 1.00 0.00 C ATOM 1735 C ASP A 109 6.579 6.527 -16.764 1.00 0.00 C ATOM 1736 O ASP A 109 5.762 5.627 -16.963 1.00 0.00 O ATOM 1737 CB ASP A 109 8.004 6.155 -14.741 1.00 0.00 C ATOM 1738 CG ASP A 109 7.661 4.778 -14.208 1.00 0.00 C ATOM 1739 OD1 ASP A 109 8.372 3.813 -14.555 1.00 0.00 O ATOM 1740 OD2 ASP A 109 6.681 4.667 -13.442 1.00 0.00 O ATOM 0 H ASP A 109 9.446 7.695 -16.015 1.00 0.00 H new ATOM 0 HA ASP A 109 8.280 5.237 -16.664 1.00 0.00 H new ATOM 0 HB2 ASP A 109 8.991 6.446 -14.381 1.00 0.00 H new ATOM 0 HB3 ASP A 109 7.294 6.882 -14.346 1.00 0.00 H new ATOM 1745 N LEU A 110 6.302 7.811 -16.960 1.00 0.00 N ATOM 1746 CA LEU A 110 4.992 8.248 -17.431 1.00 0.00 C ATOM 1747 C LEU A 110 4.940 8.268 -18.955 1.00 0.00 C ATOM 1748 O LEU A 110 3.966 7.817 -19.557 1.00 0.00 O ATOM 1749 CB LEU A 110 4.668 9.638 -16.880 1.00 0.00 C ATOM 1750 CG LEU A 110 3.547 10.397 -17.591 1.00 0.00 C ATOM 1751 CD1 LEU A 110 2.227 9.656 -17.449 1.00 0.00 C ATOM 1752 CD2 LEU A 110 3.429 11.811 -17.041 1.00 0.00 C ATOM 0 H LEU A 110 6.967 8.568 -16.800 1.00 0.00 H new ATOM 0 HA LEU A 110 4.248 7.538 -17.070 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.401 9.537 -15.828 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.573 10.244 -16.922 1.00 0.00 H new ATOM 0 HG LEU A 110 3.792 10.460 -18.651 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.441 10.211 -17.961 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.317 8.664 -17.891 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.975 9.561 -16.393 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.626 12.337 -17.558 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.207 11.769 -15.975 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.369 12.341 -17.196 1.00 0.00 H new ATOM 1764 N GLN A 111 5.994 8.792 -19.572 1.00 0.00 N ATOM 1765 CA GLN A 111 6.068 8.869 -21.026 1.00 0.00 C ATOM 1766 C GLN A 111 5.853 7.496 -21.655 1.00 0.00 C ATOM 1767 O GLN A 111 5.022 7.336 -22.549 1.00 0.00 O ATOM 1768 CB GLN A 111 7.421 9.435 -21.460 1.00 0.00 C ATOM 1769 CG GLN A 111 7.554 10.933 -21.237 1.00 0.00 C ATOM 1770 CD GLN A 111 7.145 11.742 -22.451 1.00 0.00 C ATOM 1771 OE1 GLN A 111 7.356 11.324 -23.590 1.00 0.00 O ATOM 1772 NE2 GLN A 111 6.556 12.909 -22.215 1.00 0.00 N ATOM 0 H GLN A 111 6.808 9.169 -19.088 1.00 0.00 H new ATOM 0 HA GLN A 111 5.276 9.535 -21.370 1.00 0.00 H new ATOM 0 HB2 GLN A 111 8.212 8.923 -20.912 1.00 0.00 H new ATOM 0 HB3 GLN A 111 7.574 9.219 -22.517 1.00 0.00 H new ATOM 0 HG2 GLN A 111 6.939 11.226 -20.386 1.00 0.00 H new ATOM 0 HG3 GLN A 111 8.587 11.168 -20.980 1.00 0.00 H new ATOM 0 HE21 GLN A 111 6.401 13.217 -21.255 1.00 0.00 H new ATOM 0 HE22 GLN A 111 6.259 13.497 -22.994 1.00 0.00 H new ATOM 1781 N SER A 112 6.606 6.509 -21.182 1.00 0.00 N ATOM 1782 CA SER A 112 6.500 5.150 -21.701 1.00 0.00 C ATOM 1783 C SER A 112 5.102 4.586 -21.466 1.00 0.00 C ATOM 1784 O SER A 112 4.552 3.886 -22.316 1.00 0.00 O ATOM 1785 CB SER A 112 7.545 4.247 -21.042 1.00 0.00 C ATOM 1786 OG SER A 112 7.908 3.179 -21.898 1.00 0.00 O ATOM 0 H SER A 112 7.296 6.624 -20.440 1.00 0.00 H new ATOM 0 HA SER A 112 6.684 5.182 -22.775 1.00 0.00 H new ATOM 0 HB2 SER A 112 8.429 4.832 -20.791 1.00 0.00 H new ATOM 0 HB3 SER A 112 7.149 3.850 -20.107 1.00 0.00 H new ATOM 0 HG SER A 112 8.578 2.618 -21.455 1.00 0.00 H new ATOM 1792 N HIS A 113 4.533 4.896 -20.305 1.00 0.00 N ATOM 1793 CA HIS A 113 3.199 4.422 -19.957 1.00 0.00 C ATOM 1794 C HIS A 113 2.163 4.932 -20.954 1.00 0.00 C ATOM 1795 O HIS A 113 1.260 4.199 -21.356 1.00 0.00 O ATOM 1796 CB HIS A 113 2.828 4.870 -18.543 1.00 0.00 C ATOM 1797 CG HIS A 113 1.359 5.095 -18.352 1.00 0.00 C ATOM 1798 ND1 HIS A 113 0.495 4.105 -17.935 1.00 0.00 N ATOM 1799 CD2 HIS A 113 0.604 6.205 -18.523 1.00 0.00 C ATOM 1800 CE1 HIS A 113 -0.729 4.596 -17.859 1.00 0.00 C ATOM 1801 NE2 HIS A 113 -0.690 5.869 -18.210 1.00 0.00 N ATOM 0 H HIS A 113 4.975 5.473 -19.590 1.00 0.00 H new ATOM 0 HA HIS A 113 3.207 3.333 -19.994 1.00 0.00 H new ATOM 0 HB2 HIS A 113 3.167 4.117 -17.831 1.00 0.00 H new ATOM 0 HB3 HIS A 113 3.362 5.792 -18.311 1.00 0.00 H new ATOM 0 HD1 HIS A 113 0.759 3.144 -17.719 1.00 0.00 H new ATOM 0 HD2 HIS A 113 0.954 7.174 -18.846 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -1.612 4.050 -17.561 1.00 0.00 H new ATOM 1809 N MET A 114 2.300 6.194 -21.349 1.00 0.00 N ATOM 1810 CA MET A 114 1.376 6.801 -22.299 1.00 0.00 C ATOM 1811 C MET A 114 1.642 6.296 -23.714 1.00 0.00 C ATOM 1812 O MET A 114 0.757 6.328 -24.570 1.00 0.00 O ATOM 1813 CB MET A 114 1.498 8.326 -22.258 1.00 0.00 C ATOM 1814 CG MET A 114 1.247 8.918 -20.881 1.00 0.00 C ATOM 1815 SD MET A 114 0.727 10.643 -20.952 1.00 0.00 S ATOM 1816 CE MET A 114 -0.889 10.479 -21.707 1.00 0.00 C ATOM 0 H MET A 114 3.042 6.815 -21.026 1.00 0.00 H new ATOM 0 HA MET A 114 0.363 6.517 -22.015 1.00 0.00 H new ATOM 0 HB2 MET A 114 2.496 8.612 -22.591 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.790 8.758 -22.965 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.482 8.332 -20.372 1.00 0.00 H new ATOM 0 HG3 MET A 114 2.156 8.841 -20.285 1.00 0.00 H new ATOM 0 HE1 MET A 114 -0.889 10.973 -22.678 1.00 0.00 H new ATOM 0 HE2 MET A 114 -1.124 9.423 -21.837 1.00 0.00 H new ATOM 0 HE3 MET A 114 -1.639 10.941 -21.065 1.00 0.00 H new ATOM 1826 N ILE A 115 2.863 5.832 -23.952 1.00 0.00 N ATOM 1827 CA ILE A 115 3.244 5.320 -25.263 1.00 0.00 C ATOM 1828 C ILE A 115 2.868 3.849 -25.409 1.00 0.00 C ATOM 1829 O ILE A 115 2.706 3.345 -26.520 1.00 0.00 O ATOM 1830 CB ILE A 115 4.755 5.480 -25.513 1.00 0.00 C ATOM 1831 CG1 ILE A 115 5.137 6.961 -25.531 1.00 0.00 C ATOM 1832 CG2 ILE A 115 5.149 4.809 -26.821 1.00 0.00 C ATOM 1833 CD1 ILE A 115 6.542 7.228 -25.040 1.00 0.00 C ATOM 0 H ILE A 115 3.606 5.800 -23.254 1.00 0.00 H new ATOM 0 HA ILE A 115 2.698 5.907 -26.002 1.00 0.00 H new ATOM 0 HB ILE A 115 5.296 4.995 -24.701 1.00 0.00 H new ATOM 0 HG12 ILE A 115 5.038 7.341 -26.548 1.00 0.00 H new ATOM 0 HG13 ILE A 115 4.433 7.517 -24.912 1.00 0.00 H new ATOM 0 HG21 ILE A 115 6.220 4.930 -26.984 1.00 0.00 H new ATOM 0 HG22 ILE A 115 4.907 3.747 -26.772 1.00 0.00 H new ATOM 0 HG23 ILE A 115 4.602 5.268 -27.645 1.00 0.00 H new ATOM 0 HD11 ILE A 115 6.744 8.298 -25.080 1.00 0.00 H new ATOM 0 HD12 ILE A 115 6.641 6.878 -24.012 1.00 0.00 H new ATOM 0 HD13 ILE A 115 7.255 6.700 -25.673 1.00 0.00 H new ATOM 1845 N LYS A 116 2.730 3.165 -24.278 1.00 0.00 N ATOM 1846 CA LYS A 116 2.370 1.752 -24.278 1.00 0.00 C ATOM 1847 C LYS A 116 0.868 1.573 -24.080 1.00 0.00 C ATOM 1848 O LYS A 116 0.193 0.948 -24.899 1.00 0.00 O ATOM 1849 CB LYS A 116 3.132 1.010 -23.177 1.00 0.00 C ATOM 1850 CG LYS A 116 4.503 0.520 -23.611 1.00 0.00 C ATOM 1851 CD LYS A 116 5.518 1.651 -23.635 1.00 0.00 C ATOM 1852 CE LYS A 116 6.751 1.275 -24.442 1.00 0.00 C ATOM 1853 NZ LYS A 116 6.494 1.333 -25.908 1.00 0.00 N ATOM 0 H LYS A 116 2.862 3.566 -23.350 1.00 0.00 H new ATOM 0 HA LYS A 116 2.644 1.333 -25.246 1.00 0.00 H new ATOM 0 HB2 LYS A 116 3.247 1.671 -22.318 1.00 0.00 H new ATOM 0 HB3 LYS A 116 2.538 0.158 -22.847 1.00 0.00 H new ATOM 0 HG2 LYS A 116 4.843 -0.261 -22.931 1.00 0.00 H new ATOM 0 HG3 LYS A 116 4.433 0.072 -24.602 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.060 2.543 -24.062 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.811 1.900 -22.615 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.569 1.949 -24.190 1.00 0.00 H new ATOM 0 HE3 LYS A 116 7.071 0.269 -24.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 6.977 0.540 -26.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 5.471 1.268 -26.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 6.854 2.231 -26.288 1.00 0.00 H new ATOM 1867 N LEU A 117 0.350 2.125 -22.988 1.00 0.00 N ATOM 1868 CA LEU A 117 -1.073 2.028 -22.683 1.00 0.00 C ATOM 1869 C LEU A 117 -1.882 2.993 -23.544 1.00 0.00 C ATOM 1870 O LEU A 117 -2.850 2.599 -24.196 1.00 0.00 O ATOM 1871 CB LEU A 117 -1.319 2.320 -21.202 1.00 0.00 C ATOM 1872 CG LEU A 117 -0.442 1.552 -20.212 1.00 0.00 C ATOM 1873 CD1 LEU A 117 -1.146 1.413 -18.871 1.00 0.00 C ATOM 1874 CD2 LEU A 117 -0.080 0.183 -20.771 1.00 0.00 C ATOM 0 H LEU A 117 0.894 2.644 -22.299 1.00 0.00 H new ATOM 0 HA LEU A 117 -1.398 1.012 -22.905 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.174 3.387 -21.034 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.363 2.101 -20.978 1.00 0.00 H new ATOM 0 HG LEU A 117 0.479 2.115 -20.059 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.507 0.864 -18.180 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.354 2.403 -18.465 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.083 0.872 -19.006 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.544 -0.350 -20.053 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.990 -0.388 -20.954 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.466 0.305 -21.707 1.00 0.00 H new ATOM 1886 N HIS A 118 -1.477 4.259 -23.544 1.00 0.00 N ATOM 1887 CA HIS A 118 -2.163 5.281 -24.328 1.00 0.00 C ATOM 1888 C HIS A 118 -1.551 5.399 -25.720 1.00 0.00 C ATOM 1889 O HIS A 118 -1.491 6.488 -26.292 1.00 0.00 O ATOM 1890 CB HIS A 118 -2.099 6.631 -23.613 1.00 0.00 C ATOM 1891 CG HIS A 118 -2.802 6.643 -22.291 1.00 0.00 C ATOM 1892 ND1 HIS A 118 -4.119 6.263 -22.136 1.00 0.00 N ATOM 1893 CD2 HIS A 118 -2.365 6.990 -21.058 1.00 0.00 C ATOM 1894 CE1 HIS A 118 -4.461 6.378 -20.865 1.00 0.00 C ATOM 1895 NE2 HIS A 118 -3.414 6.816 -20.190 1.00 0.00 N ATOM 0 H HIS A 118 -0.678 4.602 -23.011 1.00 0.00 H new ATOM 0 HA HIS A 118 -3.206 4.984 -24.433 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -1.054 6.904 -23.462 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -2.538 7.394 -24.256 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -4.733 5.943 -22.885 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -1.375 7.339 -20.804 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -5.432 6.152 -20.449 1.00 0.00 H new ATOM 1903 N SER A 119 -1.096 4.273 -26.260 1.00 0.00 N ATOM 1904 CA SER A 119 -0.484 4.251 -27.583 1.00 0.00 C ATOM 1905 C SER A 119 -1.479 4.701 -28.649 1.00 0.00 C ATOM 1906 O SER A 119 -1.356 5.789 -29.209 1.00 0.00 O ATOM 1907 CB SER A 119 0.029 2.847 -27.908 1.00 0.00 C ATOM 1908 OG SER A 119 0.710 2.828 -29.151 1.00 0.00 O ATOM 0 H SER A 119 -1.140 3.363 -25.801 1.00 0.00 H new ATOM 0 HA SER A 119 0.357 4.945 -27.579 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.699 2.509 -27.117 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.807 2.149 -27.937 1.00 0.00 H new ATOM 0 HG SER A 119 1.030 1.920 -29.335 1.00 0.00 H new ATOM 1914 N GLY A 120 -2.465 3.853 -28.924 1.00 0.00 N ATOM 1915 CA GLY A 120 -3.467 4.179 -29.922 1.00 0.00 C ATOM 1916 C GLY A 120 -4.168 2.949 -30.464 1.00 0.00 C ATOM 1917 O GLY A 120 -4.443 1.994 -29.737 1.00 0.00 O ATOM 0 H GLY A 120 -2.588 2.946 -28.474 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -4.205 4.851 -29.485 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -2.995 4.716 -30.745 1.00 0.00 H new ATOM 1921 N PRO A 121 -4.469 2.963 -31.771 1.00 0.00 N ATOM 1922 CA PRO A 121 -5.147 1.848 -32.439 1.00 0.00 C ATOM 1923 C PRO A 121 -4.257 0.615 -32.557 1.00 0.00 C ATOM 1924 O PRO A 121 -3.372 0.556 -33.410 1.00 0.00 O ATOM 1925 CB PRO A 121 -5.470 2.409 -33.826 1.00 0.00 C ATOM 1926 CG PRO A 121 -4.453 3.474 -34.050 1.00 0.00 C ATOM 1927 CD PRO A 121 -4.171 4.068 -32.698 1.00 0.00 C ATOM 0 HA PRO A 121 -6.024 1.513 -31.885 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -5.407 1.635 -34.591 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -6.482 2.813 -33.864 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -3.546 3.061 -34.492 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -4.827 4.232 -34.739 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.135 4.397 -32.612 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -4.799 4.937 -32.502 1.00 0.00 H new ATOM 1935 N SER A 122 -4.499 -0.368 -31.695 1.00 0.00 N ATOM 1936 CA SER A 122 -3.716 -1.599 -31.701 1.00 0.00 C ATOM 1937 C SER A 122 -4.627 -2.821 -31.648 1.00 0.00 C ATOM 1938 O SER A 122 -5.852 -2.698 -31.650 1.00 0.00 O ATOM 1939 CB SER A 122 -2.748 -1.618 -30.517 1.00 0.00 C ATOM 1940 OG SER A 122 -1.704 -2.553 -30.727 1.00 0.00 O ATOM 0 H SER A 122 -5.230 -0.336 -30.984 1.00 0.00 H new ATOM 0 HA SER A 122 -3.144 -1.633 -32.628 1.00 0.00 H new ATOM 0 HB2 SER A 122 -2.326 -0.623 -30.372 1.00 0.00 H new ATOM 0 HB3 SER A 122 -3.289 -1.871 -29.605 1.00 0.00 H new ATOM 0 HG SER A 122 -1.098 -2.545 -29.957 1.00 0.00 H new ATOM 1946 N SER A 123 -4.019 -4.003 -31.600 1.00 0.00 N ATOM 1947 CA SER A 123 -4.774 -5.249 -31.550 1.00 0.00 C ATOM 1948 C SER A 123 -4.095 -6.259 -30.629 1.00 0.00 C ATOM 1949 O SER A 123 -3.026 -5.994 -30.081 1.00 0.00 O ATOM 1950 CB SER A 123 -4.918 -5.839 -32.954 1.00 0.00 C ATOM 1951 OG SER A 123 -5.963 -5.204 -33.670 1.00 0.00 O ATOM 0 H SER A 123 -3.006 -4.123 -31.595 1.00 0.00 H new ATOM 0 HA SER A 123 -5.765 -5.029 -31.152 1.00 0.00 H new ATOM 0 HB2 SER A 123 -3.980 -5.726 -33.497 1.00 0.00 H new ATOM 0 HB3 SER A 123 -5.119 -6.908 -32.884 1.00 0.00 H new ATOM 0 HG SER A 123 -6.191 -4.357 -33.233 1.00 0.00 H new ATOM 1957 N GLY A 124 -4.726 -7.417 -30.464 1.00 0.00 N ATOM 1958 CA GLY A 124 -4.169 -8.450 -29.609 1.00 0.00 C ATOM 1959 C GLY A 124 -4.265 -9.830 -30.228 1.00 0.00 C ATOM 1960 O GLY A 124 -4.838 -9.963 -31.309 1.00 0.00 O ATOM 0 H GLY A 124 -5.613 -7.659 -30.907 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -3.124 -8.221 -29.401 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.692 -8.447 -28.653 1.00 0.00 H new TER 1964 GLY A 124 HETATM 1965 ZN ZN A 200 -8.638 -4.808 18.636 1.00 0.00 ZN HETATM 1966 ZN ZN A 300 -1.107 -10.624 -5.449 1.00 0.00 ZN HETATM 1967 ZN ZN A 400 6.039 4.305 4.290 1.00 0.00 ZN HETATM 1968 ZN ZN A 500 -2.395 7.011 -18.422 1.00 0.00 ZN