USER MOD reduce.3.24.130724 H: found=0, std=0, add=1200, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1202 hydrogens (4 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: B 209 SEP H2 : B 209 SEP N : B 208 TYR C :(H bumps) USER MOD NoAdj-H: B 209 SEP H : B 209 SEP N : B 208 TYR C :(H bumps) USER MOD Set 1.1: A 65 ASN : amide:sc= -0.0475 K(o=-0.011,f=-0.71) USER MOD Set 1.2: A 69 GLN : amide:sc= 0.0363 K(o=-0.011,f=-1.8) USER MOD Set 1.3: B 208 TYR OH : rot -130:sc= 0 USER MOD Set 2.1: A 53 ASN : amide:sc= -0.0825 K(o=-0.0072,f=-2) USER MOD Set 2.2: A 54 THR OG1 : rot -91:sc= 0.0754 USER MOD Set 3.1: A 23 SER OG : rot -132:sc= 2.18 USER MOD Set 3.2: A 26 SER OG : rot 74:sc= 0.689 USER MOD Set 3.3: A 27 LYS NZ :NH3+ -173:sc= 1.25 (180deg=0) USER MOD Set 3.4: A 66 HIS : no HE2:sc= 0.259 K(o=5.1,f=0.64) USER MOD Set 3.5: B 214 SER OG : rot -61:sc= 0.7 USER MOD Set 4.1: A 18 SER OG : rot -85:sc= 0.913! USER MOD Set 4.2: A 21 SER OG : rot 153:sc= 1.31 USER MOD Set 5.1: A 13 ASN : amide:sc= 1.08 K(o=3.2,f=-1.5) USER MOD Set 5.2: A 46 TYR OH : rot 23:sc= 2.13 USER MOD Single : A 4 SER OG : rot 180:sc= 0.00678 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.44) USER MOD Single : A 9 THR OG1 : rot -170:sc= -0.177 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 102:sc= 1.21 USER MOD Single : A 19 GLN : amide:sc= 0.838 K(o=0.84,f=-6.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.028 X(o=-0.028,f=-0.18) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 145:sc= 1.26 (180deg=-0.212) USER MOD Single : A 42 MET CE :methyl -151:sc= -0.372 (180deg=-1.15) USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 0.303 (180deg=0.297) USER MOD Single : A 47 MET CE :methyl 159:sc= -1.02 (180deg=-1.79) USER MOD Single : A 51 SER OG : rot -150:sc= 0.145 USER MOD Single : A 57 LYS NZ :NH3+ -158:sc= 1.91 (180deg=1.48) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -153:sc= -0.27 (180deg=-1.07) USER MOD Single : A 70 GLN : amide:sc= -0.0302 X(o=-0.03,f=-0.03) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.446 K(o=-0.45,f=-1.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0.446 K(o=0.45,f=-5.9!) USER MOD Single : A 80 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.78) USER MOD Single : A 82 SER OG : rot 79:sc= 1.29 USER MOD Single : A 85 LYS NZ :NH3+ -153:sc= 1.34 (180deg=0.74) USER MOD Single : A 95 ASN : amide:sc= -0.0257 K(o=-0.026,f=-0.71) USER MOD Single : A 96 GLN : amide:sc= 0.665 K(o=0.67,f=-0.15) USER MOD Single : A 103 LYS NZ :NH3+ -147:sc= 2.49 (180deg=0.829) USER MOD Single : A 104 LYS NZ :NH3+ 157:sc= 1.3 (180deg=1.2) USER MOD Single : A 105 LYS NZ :NH3+ -142:sc= 0.0723 (180deg=-0.0714) USER MOD Single : A 107 SER OG : rot 69:sc= 1.32 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 114 LYS NZ :NH3+ 154:sc= 1.24 (180deg=1.07) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0.15 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.014) USER MOD Single : A 125 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.039) USER MOD Single : A 130 SER OG : rot 79:sc= 0.751 USER MOD Single : A 137 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : B 207 SER OG : rot 180:sc= 0 USER MOD Single : B 211 THR OG1 : rot 84:sc= 1.25 USER MOD Single : B 212 SER OG : rot 35:sc= -0.0584 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 24.422 -7.194 -13.202 1.00 5.47 N ATOM 2 CA ALA A 2 25.264 -6.070 -12.734 1.00 4.84 C ATOM 3 C ALA A 2 24.670 -5.438 -11.479 1.00 3.96 C ATOM 4 O ALA A 2 25.349 -5.300 -10.464 1.00 4.26 O ATOM 5 CB ALA A 2 25.419 -5.029 -13.836 1.00 5.40 C ATOM 0 HA ALA A 2 26.251 -6.460 -12.484 1.00 4.84 H new ATOM 0 HB1 ALA A 2 26.041 -4.209 -13.477 1.00 5.40 H new ATOM 0 HB2 ALA A 2 25.890 -5.487 -14.706 1.00 5.40 H new ATOM 0 HB3 ALA A 2 24.438 -4.645 -14.115 1.00 5.40 H new ATOM 11 N PHE A 3 23.405 -5.050 -11.553 1.00 3.24 N ATOM 12 CA PHE A 3 22.725 -4.442 -10.420 1.00 2.66 C ATOM 13 C PHE A 3 21.504 -5.267 -10.047 1.00 2.37 C ATOM 14 O PHE A 3 20.923 -5.939 -10.900 1.00 2.81 O ATOM 15 CB PHE A 3 22.311 -3.004 -10.750 1.00 2.71 C ATOM 16 CG PHE A 3 23.453 -2.137 -11.202 1.00 3.40 C ATOM 17 CD1 PHE A 3 24.397 -1.680 -10.294 1.00 4.16 C ATOM 18 CD2 PHE A 3 23.584 -1.781 -12.535 1.00 3.81 C ATOM 19 CE1 PHE A 3 25.450 -0.887 -10.708 1.00 5.12 C ATOM 20 CE2 PHE A 3 24.635 -0.989 -12.955 1.00 4.74 C ATOM 21 CZ PHE A 3 25.569 -0.542 -12.040 1.00 5.34 C ATOM 0 H PHE A 3 22.828 -5.146 -12.389 1.00 3.24 H new ATOM 0 HA PHE A 3 23.410 -4.417 -9.573 1.00 2.66 H new ATOM 0 HB2 PHE A 3 21.550 -3.024 -11.530 1.00 2.71 H new ATOM 0 HB3 PHE A 3 21.852 -2.556 -9.869 1.00 2.71 H new ATOM 0 HD1 PHE A 3 24.308 -1.947 -9.251 1.00 4.16 H new ATOM 0 HD2 PHE A 3 22.856 -2.127 -13.254 1.00 3.81 H new ATOM 0 HE1 PHE A 3 26.179 -0.538 -9.991 1.00 5.12 H new ATOM 0 HE2 PHE A 3 24.727 -0.720 -13.997 1.00 4.74 H new ATOM 0 HZ PHE A 3 26.392 0.077 -12.366 1.00 5.34 H new ATOM 31 N SER A 4 21.130 -5.236 -8.775 1.00 1.99 N ATOM 32 CA SER A 4 19.975 -5.984 -8.300 1.00 1.86 C ATOM 33 C SER A 4 18.694 -5.458 -8.941 1.00 1.53 C ATOM 34 O SER A 4 18.262 -4.335 -8.670 1.00 1.56 O ATOM 35 CB SER A 4 19.887 -5.893 -6.780 1.00 2.25 C ATOM 36 OG SER A 4 21.170 -6.032 -6.193 1.00 2.73 O ATOM 0 H SER A 4 21.611 -4.700 -8.053 1.00 1.99 H new ATOM 0 HA SER A 4 20.093 -7.029 -8.585 1.00 1.86 H new ATOM 0 HB2 SER A 4 19.452 -4.935 -6.493 1.00 2.25 H new ATOM 0 HB3 SER A 4 19.223 -6.670 -6.402 1.00 2.25 H new ATOM 0 HG SER A 4 21.092 -5.969 -5.218 1.00 2.73 H new ATOM 42 N SER A 5 18.100 -6.272 -9.798 1.00 1.87 N ATOM 43 CA SER A 5 16.881 -5.899 -10.495 1.00 2.11 C ATOM 44 C SER A 5 15.640 -6.266 -9.688 1.00 1.75 C ATOM 45 O SER A 5 15.551 -7.362 -9.127 1.00 2.50 O ATOM 46 CB SER A 5 16.843 -6.584 -11.859 1.00 2.94 C ATOM 47 OG SER A 5 18.139 -6.631 -12.434 1.00 3.24 O ATOM 0 H SER A 5 18.446 -7.203 -10.029 1.00 1.87 H new ATOM 0 HA SER A 5 16.881 -4.817 -10.627 1.00 2.11 H new ATOM 0 HB2 SER A 5 16.450 -7.595 -11.753 1.00 2.94 H new ATOM 0 HB3 SER A 5 16.165 -6.047 -12.522 1.00 2.94 H new ATOM 0 HG SER A 5 18.094 -7.075 -13.306 1.00 3.24 H new ATOM 53 N GLU A 6 14.693 -5.331 -9.640 1.00 0.91 N ATOM 54 CA GLU A 6 13.429 -5.505 -8.927 1.00 0.84 C ATOM 55 C GLU A 6 13.638 -5.927 -7.474 1.00 0.68 C ATOM 56 O GLU A 6 13.149 -6.969 -7.034 1.00 0.73 O ATOM 57 CB GLU A 6 12.538 -6.511 -9.656 1.00 1.15 C ATOM 58 CG GLU A 6 11.703 -5.891 -10.767 1.00 1.67 C ATOM 59 CD GLU A 6 12.550 -5.297 -11.875 1.00 2.11 C ATOM 60 OE1 GLU A 6 13.007 -4.139 -11.736 1.00 2.90 O ATOM 61 OE2 GLU A 6 12.764 -5.986 -12.891 1.00 2.42 O ATOM 0 H GLU A 6 14.782 -4.424 -10.098 1.00 0.91 H new ATOM 0 HA GLU A 6 12.931 -4.536 -8.911 1.00 0.84 H new ATOM 0 HB2 GLU A 6 13.163 -7.298 -10.078 1.00 1.15 H new ATOM 0 HB3 GLU A 6 11.873 -6.985 -8.934 1.00 1.15 H new ATOM 0 HG2 GLU A 6 11.044 -6.651 -11.187 1.00 1.67 H new ATOM 0 HG3 GLU A 6 11.066 -5.113 -10.346 1.00 1.67 H new ATOM 68 N GLN A 7 14.362 -5.098 -6.731 1.00 0.63 N ATOM 69 CA GLN A 7 14.627 -5.367 -5.323 1.00 0.61 C ATOM 70 C GLN A 7 13.329 -5.310 -4.526 1.00 0.52 C ATOM 71 O GLN A 7 13.134 -6.073 -3.584 1.00 0.61 O ATOM 72 CB GLN A 7 15.632 -4.355 -4.766 1.00 0.75 C ATOM 73 CG GLN A 7 16.981 -4.393 -5.464 1.00 1.58 C ATOM 74 CD GLN A 7 18.004 -3.480 -4.818 1.00 2.04 C ATOM 75 OE1 GLN A 7 18.680 -3.864 -3.864 1.00 2.40 O ATOM 76 NE2 GLN A 7 18.140 -2.272 -5.344 1.00 2.75 N ATOM 0 H GLN A 7 14.776 -4.234 -7.080 1.00 0.63 H new ATOM 0 HA GLN A 7 15.054 -6.366 -5.233 1.00 0.61 H new ATOM 0 HB2 GLN A 7 15.214 -3.353 -4.856 1.00 0.75 H new ATOM 0 HB3 GLN A 7 15.777 -4.546 -3.703 1.00 0.75 H new ATOM 0 HG2 GLN A 7 17.359 -5.415 -5.459 1.00 1.58 H new ATOM 0 HG3 GLN A 7 16.853 -4.106 -6.508 1.00 1.58 H new ATOM 0 HE21 GLN A 7 17.560 -1.992 -6.135 1.00 2.75 H new ATOM 0 HE22 GLN A 7 18.825 -1.622 -4.958 1.00 2.75 H new ATOM 85 N PHE A 8 12.437 -4.415 -4.939 1.00 0.49 N ATOM 86 CA PHE A 8 11.148 -4.236 -4.283 1.00 0.45 C ATOM 87 C PHE A 8 10.350 -5.537 -4.308 1.00 0.44 C ATOM 88 O PHE A 8 9.840 -5.986 -3.281 1.00 0.42 O ATOM 89 CB PHE A 8 10.373 -3.121 -4.987 1.00 0.51 C ATOM 90 CG PHE A 8 9.078 -2.745 -4.325 1.00 0.48 C ATOM 91 CD1 PHE A 8 9.063 -1.866 -3.253 1.00 0.89 C ATOM 92 CD2 PHE A 8 7.875 -3.256 -4.787 1.00 0.88 C ATOM 93 CE1 PHE A 8 7.873 -1.506 -2.653 1.00 0.91 C ATOM 94 CE2 PHE A 8 6.682 -2.901 -4.188 1.00 0.90 C ATOM 95 CZ PHE A 8 6.682 -2.025 -3.121 1.00 0.55 C ATOM 0 H PHE A 8 12.587 -3.796 -5.735 1.00 0.49 H new ATOM 0 HA PHE A 8 11.311 -3.959 -3.241 1.00 0.45 H new ATOM 0 HB2 PHE A 8 11.007 -2.236 -5.044 1.00 0.51 H new ATOM 0 HB3 PHE A 8 10.166 -3.431 -6.011 1.00 0.51 H new ATOM 0 HD1 PHE A 8 9.992 -1.458 -2.883 1.00 0.89 H new ATOM 0 HD2 PHE A 8 7.870 -3.939 -5.624 1.00 0.88 H new ATOM 0 HE1 PHE A 8 7.873 -0.820 -1.819 1.00 0.91 H new ATOM 0 HE2 PHE A 8 5.751 -3.308 -4.554 1.00 0.90 H new ATOM 0 HZ PHE A 8 5.750 -1.745 -2.652 1.00 0.55 H new ATOM 105 N THR A 9 10.267 -6.143 -5.485 1.00 0.50 N ATOM 106 CA THR A 9 9.547 -7.393 -5.667 1.00 0.56 C ATOM 107 C THR A 9 10.152 -8.505 -4.809 1.00 0.56 C ATOM 108 O THR A 9 9.432 -9.319 -4.223 1.00 0.60 O ATOM 109 CB THR A 9 9.576 -7.804 -7.147 1.00 0.67 C ATOM 110 OG1 THR A 9 9.711 -6.628 -7.958 1.00 0.76 O ATOM 111 CG2 THR A 9 8.307 -8.552 -7.533 1.00 0.86 C ATOM 0 H THR A 9 10.696 -5.782 -6.337 1.00 0.50 H new ATOM 0 HA THR A 9 8.515 -7.240 -5.352 1.00 0.56 H new ATOM 0 HB THR A 9 10.423 -8.470 -7.309 1.00 0.67 H new ATOM 0 HG1 THR A 9 9.572 -6.862 -8.899 1.00 0.76 H new ATOM 0 HG21 THR A 9 8.355 -8.831 -8.586 1.00 0.86 H new ATOM 0 HG22 THR A 9 8.215 -9.451 -6.923 1.00 0.86 H new ATOM 0 HG23 THR A 9 7.442 -7.911 -7.366 1.00 0.86 H new ATOM 119 N THR A 10 11.480 -8.516 -4.724 1.00 0.57 N ATOM 120 CA THR A 10 12.193 -9.513 -3.938 1.00 0.63 C ATOM 121 C THR A 10 11.878 -9.370 -2.443 1.00 0.58 C ATOM 122 O THR A 10 11.825 -10.362 -1.712 1.00 0.66 O ATOM 123 CB THR A 10 13.724 -9.430 -4.197 1.00 0.71 C ATOM 124 OG1 THR A 10 14.176 -10.642 -4.816 1.00 1.42 O ATOM 125 CG2 THR A 10 14.523 -9.191 -2.919 1.00 1.31 C ATOM 0 H THR A 10 12.084 -7.841 -5.193 1.00 0.57 H new ATOM 0 HA THR A 10 11.850 -10.498 -4.255 1.00 0.63 H new ATOM 0 HB THR A 10 13.892 -8.577 -4.855 1.00 0.71 H new ATOM 0 HG1 THR A 10 15.141 -10.586 -4.979 1.00 1.42 H new ATOM 0 HG21 THR A 10 15.585 -9.142 -3.158 1.00 1.31 H new ATOM 0 HG22 THR A 10 14.209 -8.251 -2.464 1.00 1.31 H new ATOM 0 HG23 THR A 10 14.346 -10.009 -2.221 1.00 1.31 H new ATOM 133 N LYS A 11 11.640 -8.140 -1.996 1.00 0.51 N ATOM 134 CA LYS A 11 11.333 -7.896 -0.591 1.00 0.50 C ATOM 135 C LYS A 11 9.897 -8.297 -0.279 1.00 0.48 C ATOM 136 O LYS A 11 9.628 -8.895 0.760 1.00 0.52 O ATOM 137 CB LYS A 11 11.552 -6.423 -0.227 1.00 0.50 C ATOM 138 CG LYS A 11 12.947 -5.897 -0.543 1.00 0.59 C ATOM 139 CD LYS A 11 14.040 -6.751 0.083 1.00 0.80 C ATOM 140 CE LYS A 11 14.141 -6.538 1.583 1.00 1.06 C ATOM 141 NZ LYS A 11 14.947 -7.604 2.233 1.00 1.30 N ATOM 0 H LYS A 11 11.654 -7.304 -2.580 1.00 0.51 H new ATOM 0 HA LYS A 11 12.010 -8.505 0.008 1.00 0.50 H new ATOM 0 HB2 LYS A 11 10.819 -5.817 -0.760 1.00 0.50 H new ATOM 0 HB3 LYS A 11 11.360 -6.292 0.838 1.00 0.50 H new ATOM 0 HG2 LYS A 11 13.086 -5.867 -1.624 1.00 0.59 H new ATOM 0 HG3 LYS A 11 13.037 -4.873 -0.182 1.00 0.59 H new ATOM 0 HD2 LYS A 11 13.839 -7.803 -0.121 1.00 0.80 H new ATOM 0 HD3 LYS A 11 14.997 -6.513 -0.382 1.00 0.80 H new ATOM 0 HE2 LYS A 11 14.592 -5.566 1.784 1.00 1.06 H new ATOM 0 HE3 LYS A 11 13.141 -6.521 2.017 1.00 1.06 H new ATOM 0 HZ1 LYS A 11 14.995 -7.427 3.257 1.00 1.30 H new ATOM 0 HZ2 LYS A 11 14.502 -8.528 2.062 1.00 1.30 H new ATOM 0 HZ3 LYS A 11 15.908 -7.603 1.836 1.00 1.30 H new ATOM 155 N LEU A 12 8.989 -7.982 -1.199 1.00 0.47 N ATOM 156 CA LEU A 12 7.571 -8.291 -1.032 1.00 0.50 C ATOM 157 C LEU A 12 7.340 -9.794 -0.909 1.00 0.56 C ATOM 158 O LEU A 12 6.529 -10.241 -0.099 1.00 0.65 O ATOM 159 CB LEU A 12 6.766 -7.739 -2.214 1.00 0.54 C ATOM 160 CG LEU A 12 5.646 -6.755 -1.851 1.00 0.66 C ATOM 161 CD1 LEU A 12 4.636 -7.401 -0.916 1.00 1.57 C ATOM 162 CD2 LEU A 12 6.227 -5.496 -1.227 1.00 0.84 C ATOM 0 H LEU A 12 9.212 -7.509 -2.075 1.00 0.47 H new ATOM 0 HA LEU A 12 7.234 -7.817 -0.110 1.00 0.50 H new ATOM 0 HB2 LEU A 12 7.454 -7.243 -2.899 1.00 0.54 H new ATOM 0 HB3 LEU A 12 6.327 -8.577 -2.755 1.00 0.54 H new ATOM 0 HG LEU A 12 5.126 -6.478 -2.768 1.00 0.66 H new ATOM 0 HD11 LEU A 12 3.853 -6.683 -0.674 1.00 1.57 H new ATOM 0 HD12 LEU A 12 4.194 -8.270 -1.403 1.00 1.57 H new ATOM 0 HD13 LEU A 12 5.137 -7.714 0.000 1.00 1.57 H new ATOM 0 HD21 LEU A 12 5.419 -4.809 -0.975 1.00 0.84 H new ATOM 0 HD22 LEU A 12 6.775 -5.758 -0.322 1.00 0.84 H new ATOM 0 HD23 LEU A 12 6.903 -5.018 -1.935 1.00 0.84 H new ATOM 174 N ASN A 13 8.071 -10.571 -1.700 1.00 0.60 N ATOM 175 CA ASN A 13 7.936 -12.028 -1.684 1.00 0.71 C ATOM 176 C ASN A 13 8.615 -12.642 -0.462 1.00 0.72 C ATOM 177 O ASN A 13 8.567 -13.856 -0.259 1.00 0.87 O ATOM 178 CB ASN A 13 8.511 -12.638 -2.965 1.00 0.82 C ATOM 179 CG ASN A 13 7.503 -12.661 -4.098 1.00 1.14 C ATOM 180 OD1 ASN A 13 6.642 -11.788 -4.198 1.00 1.53 O ATOM 181 ND2 ASN A 13 7.593 -13.666 -4.955 1.00 1.59 N ATOM 0 H ASN A 13 8.764 -10.219 -2.361 1.00 0.60 H new ATOM 0 HA ASN A 13 6.871 -12.256 -1.629 1.00 0.71 H new ATOM 0 HB2 ASN A 13 9.387 -12.068 -3.274 1.00 0.82 H new ATOM 0 HB3 ASN A 13 8.847 -13.655 -2.761 1.00 0.82 H new ATOM 0 HD21 ASN A 13 6.935 -13.735 -5.731 1.00 1.59 H new ATOM 0 HD22 ASN A 13 8.321 -14.371 -4.839 1.00 1.59 H new ATOM 188 N THR A 14 9.238 -11.805 0.351 1.00 0.67 N ATOM 189 CA THR A 14 9.919 -12.268 1.549 1.00 0.74 C ATOM 190 C THR A 14 9.426 -11.489 2.770 1.00 0.68 C ATOM 191 O THR A 14 10.171 -11.241 3.723 1.00 0.81 O ATOM 192 CB THR A 14 11.447 -12.122 1.400 1.00 0.85 C ATOM 193 OG1 THR A 14 11.827 -12.399 0.044 1.00 1.63 O ATOM 194 CG2 THR A 14 12.182 -13.076 2.330 1.00 1.47 C ATOM 0 H THR A 14 9.286 -10.797 0.202 1.00 0.67 H new ATOM 0 HA THR A 14 9.690 -13.324 1.689 1.00 0.74 H new ATOM 0 HB THR A 14 11.718 -11.100 1.665 1.00 0.85 H new ATOM 0 HG1 THR A 14 11.998 -11.556 -0.426 1.00 1.63 H new ATOM 0 HG21 THR A 14 13.257 -12.951 2.203 1.00 1.47 H new ATOM 0 HG22 THR A 14 11.910 -12.859 3.363 1.00 1.47 H new ATOM 0 HG23 THR A 14 11.905 -14.103 2.091 1.00 1.47 H new ATOM 202 N LEU A 15 8.157 -11.101 2.731 1.00 0.61 N ATOM 203 CA LEU A 15 7.557 -10.352 3.826 1.00 0.61 C ATOM 204 C LEU A 15 6.509 -11.186 4.554 1.00 0.60 C ATOM 205 O LEU A 15 6.105 -12.254 4.084 1.00 0.71 O ATOM 206 CB LEU A 15 6.923 -9.055 3.311 1.00 0.65 C ATOM 207 CG LEU A 15 7.866 -7.854 3.218 1.00 0.73 C ATOM 208 CD1 LEU A 15 7.140 -6.655 2.628 1.00 1.10 C ATOM 209 CD2 LEU A 15 8.431 -7.505 4.588 1.00 0.88 C ATOM 0 H LEU A 15 7.525 -11.293 1.954 1.00 0.61 H new ATOM 0 HA LEU A 15 8.351 -10.104 4.530 1.00 0.61 H new ATOM 0 HB2 LEU A 15 6.504 -9.243 2.323 1.00 0.65 H new ATOM 0 HB3 LEU A 15 6.092 -8.793 3.965 1.00 0.65 H new ATOM 0 HG LEU A 15 8.694 -8.121 2.562 1.00 0.73 H new ATOM 0 HD11 LEU A 15 7.824 -5.809 2.568 1.00 1.10 H new ATOM 0 HD12 LEU A 15 6.781 -6.902 1.629 1.00 1.10 H new ATOM 0 HD13 LEU A 15 6.294 -6.393 3.263 1.00 1.10 H new ATOM 0 HD21 LEU A 15 9.099 -6.648 4.499 1.00 0.88 H new ATOM 0 HD22 LEU A 15 7.614 -7.259 5.267 1.00 0.88 H new ATOM 0 HD23 LEU A 15 8.985 -8.357 4.981 1.00 0.88 H new ATOM 221 N GLU A 16 6.083 -10.694 5.705 1.00 0.65 N ATOM 222 CA GLU A 16 5.078 -11.360 6.515 1.00 0.72 C ATOM 223 C GLU A 16 4.108 -10.309 7.046 1.00 0.70 C ATOM 224 O GLU A 16 4.337 -9.113 6.867 1.00 0.70 O ATOM 225 CB GLU A 16 5.740 -12.119 7.674 1.00 0.83 C ATOM 226 CG GLU A 16 4.889 -13.249 8.234 1.00 1.28 C ATOM 227 CD GLU A 16 5.362 -13.722 9.593 1.00 1.56 C ATOM 228 OE1 GLU A 16 5.480 -12.889 10.514 1.00 2.16 O ATOM 229 OE2 GLU A 16 5.596 -14.939 9.749 1.00 2.16 O ATOM 0 H GLU A 16 6.425 -9.820 6.105 1.00 0.65 H new ATOM 0 HA GLU A 16 4.536 -12.086 5.909 1.00 0.72 H new ATOM 0 HB2 GLU A 16 6.691 -12.528 7.332 1.00 0.83 H new ATOM 0 HB3 GLU A 16 5.965 -11.415 8.475 1.00 0.83 H new ATOM 0 HG2 GLU A 16 3.854 -12.915 8.311 1.00 1.28 H new ATOM 0 HG3 GLU A 16 4.903 -14.087 7.538 1.00 1.28 H new ATOM 236 N ASP A 17 3.040 -10.744 7.707 1.00 0.77 N ATOM 237 CA ASP A 17 2.049 -9.819 8.255 1.00 0.82 C ATOM 238 C ASP A 17 2.517 -9.208 9.576 1.00 0.79 C ATOM 239 O ASP A 17 1.719 -8.648 10.329 1.00 1.05 O ATOM 240 CB ASP A 17 0.696 -10.516 8.442 1.00 1.00 C ATOM 241 CG ASP A 17 0.749 -11.699 9.392 1.00 1.27 C ATOM 242 OD1 ASP A 17 0.546 -11.508 10.606 1.00 1.78 O ATOM 243 OD2 ASP A 17 0.957 -12.834 8.916 1.00 1.94 O ATOM 0 H ASP A 17 2.837 -11.729 7.877 1.00 0.77 H new ATOM 0 HA ASP A 17 1.929 -9.009 7.535 1.00 0.82 H new ATOM 0 HB2 ASP A 17 -0.028 -9.792 8.816 1.00 1.00 H new ATOM 0 HB3 ASP A 17 0.334 -10.856 7.472 1.00 1.00 H new ATOM 248 N SER A 18 3.806 -9.312 9.851 1.00 0.74 N ATOM 249 CA SER A 18 4.375 -8.752 11.061 1.00 0.75 C ATOM 250 C SER A 18 4.643 -7.265 10.866 1.00 0.69 C ATOM 251 O SER A 18 5.227 -6.861 9.859 1.00 0.78 O ATOM 252 CB SER A 18 5.656 -9.494 11.417 1.00 0.84 C ATOM 253 OG SER A 18 6.041 -10.363 10.362 1.00 1.61 O ATOM 0 H SER A 18 4.480 -9.782 9.247 1.00 0.74 H new ATOM 0 HA SER A 18 3.670 -8.868 11.884 1.00 0.75 H new ATOM 0 HB2 SER A 18 6.454 -8.778 11.615 1.00 0.84 H new ATOM 0 HB3 SER A 18 5.508 -10.068 12.332 1.00 0.84 H new ATOM 0 HG SER A 18 5.574 -11.219 10.457 1.00 1.61 H new ATOM 259 N GLN A 19 4.230 -6.456 11.834 1.00 0.76 N ATOM 260 CA GLN A 19 4.399 -5.013 11.741 1.00 0.79 C ATOM 261 C GLN A 19 5.872 -4.611 11.689 1.00 0.73 C ATOM 262 O GLN A 19 6.245 -3.721 10.929 1.00 0.73 O ATOM 263 CB GLN A 19 3.668 -4.299 12.895 1.00 1.04 C ATOM 264 CG GLN A 19 4.396 -4.328 14.233 1.00 1.45 C ATOM 265 CD GLN A 19 4.079 -5.554 15.071 1.00 2.07 C ATOM 266 OE1 GLN A 19 3.809 -6.640 14.547 1.00 2.64 O ATOM 267 NE2 GLN A 19 4.114 -5.388 16.382 1.00 2.54 N ATOM 0 H GLN A 19 3.777 -6.775 12.690 1.00 0.76 H new ATOM 0 HA GLN A 19 3.948 -4.693 10.802 1.00 0.79 H new ATOM 0 HB2 GLN A 19 3.501 -3.260 12.612 1.00 1.04 H new ATOM 0 HB3 GLN A 19 2.687 -4.757 13.022 1.00 1.04 H new ATOM 0 HG2 GLN A 19 5.470 -4.289 14.053 1.00 1.45 H new ATOM 0 HG3 GLN A 19 4.135 -3.434 14.799 1.00 1.45 H new ATOM 0 HE21 GLN A 19 4.341 -4.474 16.774 1.00 2.54 H new ATOM 0 HE22 GLN A 19 3.914 -6.174 17.001 1.00 2.54 H new ATOM 276 N GLU A 20 6.721 -5.283 12.463 1.00 0.80 N ATOM 277 CA GLU A 20 8.142 -4.959 12.464 1.00 0.87 C ATOM 278 C GLU A 20 8.784 -5.406 11.154 1.00 0.75 C ATOM 279 O GLU A 20 9.796 -4.852 10.722 1.00 0.80 O ATOM 280 CB GLU A 20 8.853 -5.589 13.664 1.00 1.09 C ATOM 281 CG GLU A 20 10.155 -4.893 14.034 1.00 1.59 C ATOM 282 CD GLU A 20 9.997 -3.387 14.159 1.00 2.23 C ATOM 283 OE1 GLU A 20 9.490 -2.922 15.200 1.00 2.69 O ATOM 284 OE2 GLU A 20 10.387 -2.662 13.221 1.00 2.99 O ATOM 0 H GLU A 20 6.454 -6.044 13.088 1.00 0.80 H new ATOM 0 HA GLU A 20 8.247 -3.878 12.552 1.00 0.87 H new ATOM 0 HB2 GLU A 20 8.183 -5.570 14.524 1.00 1.09 H new ATOM 0 HB3 GLU A 20 9.060 -6.636 13.444 1.00 1.09 H new ATOM 0 HG2 GLU A 20 10.523 -5.296 14.978 1.00 1.59 H new ATOM 0 HG3 GLU A 20 10.909 -5.114 13.278 1.00 1.59 H new ATOM 291 N SER A 21 8.189 -6.406 10.517 1.00 0.69 N ATOM 292 CA SER A 21 8.691 -6.890 9.242 1.00 0.67 C ATOM 293 C SER A 21 8.403 -5.850 8.173 1.00 0.54 C ATOM 294 O SER A 21 9.265 -5.529 7.354 1.00 0.58 O ATOM 295 CB SER A 21 8.043 -8.223 8.878 1.00 0.74 C ATOM 296 OG SER A 21 8.349 -9.216 9.840 1.00 1.10 O ATOM 0 H SER A 21 7.363 -6.894 10.862 1.00 0.69 H new ATOM 0 HA SER A 21 9.766 -7.052 9.315 1.00 0.67 H new ATOM 0 HB2 SER A 21 6.962 -8.099 8.809 1.00 0.74 H new ATOM 0 HB3 SER A 21 8.390 -8.544 7.896 1.00 0.74 H new ATOM 0 HG SER A 21 7.634 -9.886 9.857 1.00 1.10 H new ATOM 302 N ILE A 22 7.185 -5.314 8.202 1.00 0.47 N ATOM 303 CA ILE A 22 6.783 -4.280 7.262 1.00 0.42 C ATOM 304 C ILE A 22 7.618 -3.034 7.521 1.00 0.42 C ATOM 305 O ILE A 22 8.148 -2.424 6.596 1.00 0.42 O ATOM 306 CB ILE A 22 5.280 -3.932 7.402 1.00 0.47 C ATOM 307 CG1 ILE A 22 4.413 -5.187 7.234 1.00 0.53 C ATOM 308 CG2 ILE A 22 4.877 -2.869 6.389 1.00 0.54 C ATOM 309 CD1 ILE A 22 4.537 -5.843 5.874 1.00 0.88 C ATOM 0 H ILE A 22 6.461 -5.582 8.869 1.00 0.47 H new ATOM 0 HA ILE A 22 6.945 -4.651 6.250 1.00 0.42 H new ATOM 0 HB ILE A 22 5.117 -3.533 8.403 1.00 0.47 H new ATOM 0 HG12 ILE A 22 4.687 -5.911 8.002 1.00 0.53 H new ATOM 0 HG13 ILE A 22 3.370 -4.921 7.404 1.00 0.53 H new ATOM 0 HG21 ILE A 22 3.818 -2.639 6.505 1.00 0.54 H new ATOM 0 HG22 ILE A 22 5.464 -1.966 6.556 1.00 0.54 H new ATOM 0 HG23 ILE A 22 5.060 -3.240 5.380 1.00 0.54 H new ATOM 0 HD11 ILE A 22 3.894 -6.722 5.834 1.00 0.88 H new ATOM 0 HD12 ILE A 22 4.234 -5.137 5.101 1.00 0.88 H new ATOM 0 HD13 ILE A 22 5.572 -6.142 5.707 1.00 0.88 H new ATOM 321 N SER A 23 7.749 -2.697 8.797 1.00 0.46 N ATOM 322 CA SER A 23 8.526 -1.547 9.232 1.00 0.50 C ATOM 323 C SER A 23 9.956 -1.619 8.692 1.00 0.49 C ATOM 324 O SER A 23 10.490 -0.624 8.203 1.00 0.55 O ATOM 325 CB SER A 23 8.518 -1.486 10.766 1.00 0.59 C ATOM 326 OG SER A 23 9.665 -0.830 11.288 1.00 1.18 O ATOM 0 H SER A 23 7.317 -3.216 9.561 1.00 0.46 H new ATOM 0 HA SER A 23 8.075 -0.637 8.836 1.00 0.50 H new ATOM 0 HB2 SER A 23 7.621 -0.966 11.102 1.00 0.59 H new ATOM 0 HB3 SER A 23 8.468 -2.498 11.167 1.00 0.59 H new ATOM 0 HG SER A 23 10.051 -1.370 12.009 1.00 1.18 H new ATOM 332 N SER A 24 10.557 -2.803 8.767 1.00 0.50 N ATOM 333 CA SER A 24 11.919 -3.010 8.288 1.00 0.54 C ATOM 334 C SER A 24 12.034 -2.657 6.803 1.00 0.50 C ATOM 335 O SER A 24 12.985 -1.995 6.381 1.00 0.67 O ATOM 336 CB SER A 24 12.343 -4.465 8.521 1.00 0.62 C ATOM 337 OG SER A 24 13.754 -4.578 8.642 1.00 1.16 O ATOM 0 H SER A 24 10.119 -3.637 9.157 1.00 0.50 H new ATOM 0 HA SER A 24 12.584 -2.352 8.847 1.00 0.54 H new ATOM 0 HB2 SER A 24 11.867 -4.845 9.425 1.00 0.62 H new ATOM 0 HB3 SER A 24 11.996 -5.084 7.694 1.00 0.62 H new ATOM 0 HG SER A 24 13.995 -5.516 8.792 1.00 1.16 H new ATOM 343 N ALA A 25 11.054 -3.087 6.020 1.00 0.42 N ATOM 344 CA ALA A 25 11.051 -2.819 4.589 1.00 0.40 C ATOM 345 C ALA A 25 10.730 -1.354 4.308 1.00 0.36 C ATOM 346 O ALA A 25 11.398 -0.709 3.500 1.00 0.37 O ATOM 347 CB ALA A 25 10.058 -3.730 3.881 1.00 0.45 C ATOM 0 H ALA A 25 10.252 -3.622 6.352 1.00 0.42 H new ATOM 0 HA ALA A 25 12.049 -3.025 4.202 1.00 0.40 H new ATOM 0 HB1 ALA A 25 10.067 -3.517 2.812 1.00 0.45 H new ATOM 0 HB2 ALA A 25 10.337 -4.771 4.047 1.00 0.45 H new ATOM 0 HB3 ALA A 25 9.058 -3.555 4.277 1.00 0.45 H new ATOM 353 N SER A 26 9.719 -0.832 4.990 1.00 0.36 N ATOM 354 CA SER A 26 9.309 0.553 4.815 1.00 0.37 C ATOM 355 C SER A 26 10.445 1.514 5.151 1.00 0.36 C ATOM 356 O SER A 26 10.644 2.508 4.458 1.00 0.37 O ATOM 357 CB SER A 26 8.097 0.856 5.688 1.00 0.46 C ATOM 358 OG SER A 26 7.035 -0.034 5.405 1.00 1.32 O ATOM 0 H SER A 26 9.166 -1.351 5.672 1.00 0.36 H new ATOM 0 HA SER A 26 9.044 0.694 3.767 1.00 0.37 H new ATOM 0 HB2 SER A 26 8.373 0.777 6.740 1.00 0.46 H new ATOM 0 HB3 SER A 26 7.771 1.882 5.520 1.00 0.46 H new ATOM 0 HG SER A 26 7.240 -0.917 5.778 1.00 1.32 H new ATOM 364 N LYS A 27 11.187 1.212 6.214 1.00 0.39 N ATOM 365 CA LYS A 27 12.310 2.045 6.626 1.00 0.44 C ATOM 366 C LYS A 27 13.311 2.185 5.484 1.00 0.39 C ATOM 367 O LYS A 27 13.792 3.278 5.192 1.00 0.45 O ATOM 368 CB LYS A 27 13.001 1.444 7.853 1.00 0.53 C ATOM 369 CG LYS A 27 12.783 2.230 9.141 1.00 0.90 C ATOM 370 CD LYS A 27 11.449 1.902 9.791 1.00 1.41 C ATOM 371 CE LYS A 27 11.475 2.198 11.281 1.00 1.90 C ATOM 372 NZ LYS A 27 10.231 1.755 11.962 1.00 2.38 N ATOM 0 H LYS A 27 11.029 0.396 6.805 1.00 0.39 H new ATOM 0 HA LYS A 27 11.928 3.032 6.886 1.00 0.44 H new ATOM 0 HB2 LYS A 27 12.640 0.426 7.997 1.00 0.53 H new ATOM 0 HB3 LYS A 27 14.071 1.378 7.657 1.00 0.53 H new ATOM 0 HG2 LYS A 27 13.590 2.011 9.840 1.00 0.90 H new ATOM 0 HG3 LYS A 27 12.828 3.298 8.926 1.00 0.90 H new ATOM 0 HD2 LYS A 27 10.658 2.482 9.316 1.00 1.41 H new ATOM 0 HD3 LYS A 27 11.213 0.850 9.631 1.00 1.41 H new ATOM 0 HE2 LYS A 27 12.332 1.700 11.734 1.00 1.90 H new ATOM 0 HE3 LYS A 27 11.610 3.269 11.435 1.00 1.90 H new ATOM 0 HZ1 LYS A 27 10.241 2.081 12.949 1.00 2.38 H new ATOM 0 HZ2 LYS A 27 9.406 2.156 11.473 1.00 2.38 H new ATOM 0 HZ3 LYS A 27 10.175 0.717 11.941 1.00 2.38 H new ATOM 386 N TRP A 28 13.592 1.067 4.825 1.00 0.36 N ATOM 387 CA TRP A 28 14.524 1.042 3.707 1.00 0.38 C ATOM 388 C TRP A 28 13.938 1.783 2.507 1.00 0.35 C ATOM 389 O TRP A 28 14.654 2.467 1.772 1.00 0.43 O ATOM 390 CB TRP A 28 14.854 -0.409 3.336 1.00 0.42 C ATOM 391 CG TRP A 28 15.890 -0.536 2.257 1.00 0.54 C ATOM 392 CD1 TRP A 28 17.138 0.021 2.245 1.00 0.73 C ATOM 393 CD2 TRP A 28 15.768 -1.270 1.032 1.00 0.62 C ATOM 394 NE1 TRP A 28 17.794 -0.318 1.087 1.00 0.86 N ATOM 395 CE2 TRP A 28 16.977 -1.114 0.329 1.00 0.79 C ATOM 396 CE3 TRP A 28 14.754 -2.046 0.465 1.00 0.70 C ATOM 397 CZ2 TRP A 28 17.195 -1.701 -0.918 1.00 0.94 C ATOM 398 CZ3 TRP A 28 14.972 -2.632 -0.769 1.00 0.89 C ATOM 399 CH2 TRP A 28 16.186 -2.459 -1.446 1.00 0.98 C ATOM 0 H TRP A 28 13.183 0.160 5.049 1.00 0.36 H new ATOM 0 HA TRP A 28 15.444 1.547 4.002 1.00 0.38 H new ATOM 0 HB2 TRP A 28 15.204 -0.932 4.226 1.00 0.42 H new ATOM 0 HB3 TRP A 28 13.941 -0.908 3.011 1.00 0.42 H new ATOM 0 HD1 TRP A 28 17.548 0.638 3.031 1.00 0.73 H new ATOM 0 HE1 TRP A 28 18.737 -0.024 0.833 1.00 0.86 H new ATOM 0 HE3 TRP A 28 13.816 -2.186 0.981 1.00 0.70 H new ATOM 0 HZ2 TRP A 28 18.126 -1.562 -1.447 1.00 0.94 H new ATOM 0 HZ3 TRP A 28 14.194 -3.232 -1.217 1.00 0.89 H new ATOM 0 HH2 TRP A 28 16.328 -2.934 -2.405 1.00 0.98 H new ATOM 410 N LEU A 29 12.632 1.652 2.319 1.00 0.32 N ATOM 411 CA LEU A 29 11.942 2.309 1.216 1.00 0.35 C ATOM 412 C LEU A 29 11.955 3.824 1.391 1.00 0.36 C ATOM 413 O LEU A 29 12.222 4.562 0.447 1.00 0.39 O ATOM 414 CB LEU A 29 10.496 1.805 1.114 1.00 0.41 C ATOM 415 CG LEU A 29 10.232 0.778 0.009 1.00 0.54 C ATOM 416 CD1 LEU A 29 10.517 1.378 -1.360 1.00 1.10 C ATOM 417 CD2 LEU A 29 11.064 -0.476 0.229 1.00 1.30 C ATOM 0 H LEU A 29 12.026 1.093 2.920 1.00 0.32 H new ATOM 0 HA LEU A 29 12.469 2.064 0.294 1.00 0.35 H new ATOM 0 HB2 LEU A 29 10.215 1.364 2.070 1.00 0.41 H new ATOM 0 HB3 LEU A 29 9.842 2.662 0.954 1.00 0.41 H new ATOM 0 HG LEU A 29 9.179 0.499 0.048 1.00 0.54 H new ATOM 0 HD11 LEU A 29 10.323 0.633 -2.131 1.00 1.10 H new ATOM 0 HD12 LEU A 29 9.872 2.242 -1.520 1.00 1.10 H new ATOM 0 HD13 LEU A 29 11.560 1.690 -1.411 1.00 1.10 H new ATOM 0 HD21 LEU A 29 10.861 -1.192 -0.567 1.00 1.30 H new ATOM 0 HD22 LEU A 29 12.123 -0.216 0.222 1.00 1.30 H new ATOM 0 HD23 LEU A 29 10.806 -0.920 1.190 1.00 1.30 H new ATOM 429 N LEU A 30 11.692 4.273 2.614 1.00 0.38 N ATOM 430 CA LEU A 30 11.658 5.699 2.934 1.00 0.44 C ATOM 431 C LEU A 30 13.001 6.374 2.660 1.00 0.48 C ATOM 432 O LEU A 30 13.059 7.571 2.381 1.00 0.60 O ATOM 433 CB LEU A 30 11.274 5.898 4.404 1.00 0.51 C ATOM 434 CG LEU A 30 9.813 5.601 4.744 1.00 0.72 C ATOM 435 CD1 LEU A 30 9.645 5.418 6.245 1.00 1.06 C ATOM 436 CD2 LEU A 30 8.913 6.720 4.236 1.00 1.00 C ATOM 0 H LEU A 30 11.497 3.664 3.409 1.00 0.38 H new ATOM 0 HA LEU A 30 10.910 6.162 2.290 1.00 0.44 H new ATOM 0 HB2 LEU A 30 11.910 5.260 5.018 1.00 0.51 H new ATOM 0 HB3 LEU A 30 11.492 6.929 4.683 1.00 0.51 H new ATOM 0 HG LEU A 30 9.522 4.674 4.250 1.00 0.72 H new ATOM 0 HD11 LEU A 30 8.600 5.207 6.471 1.00 1.06 H new ATOM 0 HD12 LEU A 30 10.264 4.586 6.582 1.00 1.06 H new ATOM 0 HD13 LEU A 30 9.951 6.329 6.759 1.00 1.06 H new ATOM 0 HD21 LEU A 30 7.876 6.495 4.485 1.00 1.00 H new ATOM 0 HD22 LEU A 30 9.203 7.661 4.704 1.00 1.00 H new ATOM 0 HD23 LEU A 30 9.015 6.807 3.154 1.00 1.00 H new ATOM 448 N LEU A 31 14.078 5.602 2.741 1.00 0.45 N ATOM 449 CA LEU A 31 15.413 6.134 2.506 1.00 0.53 C ATOM 450 C LEU A 31 15.601 6.520 1.041 1.00 0.54 C ATOM 451 O LEU A 31 16.205 7.549 0.729 1.00 0.70 O ATOM 452 CB LEU A 31 16.480 5.118 2.922 1.00 0.58 C ATOM 453 CG LEU A 31 16.408 4.653 4.379 1.00 1.12 C ATOM 454 CD1 LEU A 31 17.528 3.671 4.679 1.00 1.59 C ATOM 455 CD2 LEU A 31 16.465 5.842 5.330 1.00 1.71 C ATOM 0 H LEU A 31 14.052 4.608 2.967 1.00 0.45 H new ATOM 0 HA LEU A 31 15.525 7.031 3.115 1.00 0.53 H new ATOM 0 HB2 LEU A 31 16.399 4.245 2.275 1.00 0.58 H new ATOM 0 HB3 LEU A 31 17.463 5.555 2.745 1.00 0.58 H new ATOM 0 HG LEU A 31 15.455 4.145 4.530 1.00 1.12 H new ATOM 0 HD11 LEU A 31 17.462 3.351 5.719 1.00 1.59 H new ATOM 0 HD12 LEU A 31 17.436 2.804 4.025 1.00 1.59 H new ATOM 0 HD13 LEU A 31 18.490 4.154 4.508 1.00 1.59 H new ATOM 0 HD21 LEU A 31 16.412 5.487 6.359 1.00 1.71 H new ATOM 0 HD22 LEU A 31 17.399 6.383 5.180 1.00 1.71 H new ATOM 0 HD23 LEU A 31 15.624 6.507 5.132 1.00 1.71 H new ATOM 467 N GLN A 32 15.060 5.707 0.149 1.00 0.49 N ATOM 468 CA GLN A 32 15.174 5.957 -1.281 1.00 0.56 C ATOM 469 C GLN A 32 13.945 6.700 -1.799 1.00 0.48 C ATOM 470 O GLN A 32 13.269 6.255 -2.726 1.00 0.53 O ATOM 471 CB GLN A 32 15.378 4.644 -2.044 1.00 0.69 C ATOM 472 CG GLN A 32 14.500 3.501 -1.556 1.00 0.80 C ATOM 473 CD GLN A 32 14.962 2.151 -2.065 1.00 1.09 C ATOM 474 OE1 GLN A 32 15.500 2.034 -3.166 1.00 1.51 O ATOM 475 NE2 GLN A 32 14.762 1.121 -1.260 1.00 1.25 N ATOM 0 H GLN A 32 14.536 4.866 0.389 1.00 0.49 H new ATOM 0 HA GLN A 32 16.047 6.588 -1.449 1.00 0.56 H new ATOM 0 HB2 GLN A 32 15.178 4.816 -3.102 1.00 0.69 H new ATOM 0 HB3 GLN A 32 16.423 4.346 -1.961 1.00 0.69 H new ATOM 0 HG2 GLN A 32 14.495 3.492 -0.466 1.00 0.80 H new ATOM 0 HG3 GLN A 32 13.473 3.674 -1.878 1.00 0.80 H new ATOM 0 HE21 GLN A 32 14.312 1.261 -0.355 1.00 1.25 H new ATOM 0 HE22 GLN A 32 15.057 0.187 -1.544 1.00 1.25 H new ATOM 484 N TYR A 33 13.680 7.855 -1.198 1.00 0.47 N ATOM 485 CA TYR A 33 12.537 8.686 -1.573 1.00 0.47 C ATOM 486 C TYR A 33 12.669 9.211 -3.005 1.00 0.46 C ATOM 487 O TYR A 33 11.689 9.648 -3.609 1.00 0.50 O ATOM 488 CB TYR A 33 12.399 9.865 -0.598 1.00 0.57 C ATOM 489 CG TYR A 33 13.477 10.920 -0.748 1.00 0.70 C ATOM 490 CD1 TYR A 33 14.709 10.782 -0.118 1.00 1.35 C ATOM 491 CD2 TYR A 33 13.262 12.051 -1.524 1.00 1.41 C ATOM 492 CE1 TYR A 33 15.693 11.745 -0.256 1.00 1.55 C ATOM 493 CE2 TYR A 33 14.239 13.014 -1.669 1.00 1.59 C ATOM 494 CZ TYR A 33 15.452 12.858 -1.034 1.00 1.27 C ATOM 495 OH TYR A 33 16.426 13.820 -1.179 1.00 1.61 O ATOM 0 H TYR A 33 14.246 8.241 -0.442 1.00 0.47 H new ATOM 0 HA TYR A 33 11.644 8.064 -1.522 1.00 0.47 H new ATOM 0 HB2 TYR A 33 11.425 10.332 -0.745 1.00 0.57 H new ATOM 0 HB3 TYR A 33 12.419 9.483 0.423 1.00 0.57 H new ATOM 0 HD1 TYR A 33 14.901 9.909 0.489 1.00 1.35 H new ATOM 0 HD2 TYR A 33 12.313 12.179 -2.023 1.00 1.41 H new ATOM 0 HE1 TYR A 33 16.644 11.626 0.242 1.00 1.55 H new ATOM 0 HE2 TYR A 33 14.054 13.887 -2.278 1.00 1.59 H new ATOM 0 HH TYR A 33 16.094 14.536 -1.760 1.00 1.61 H new ATOM 505 N ARG A 34 13.883 9.159 -3.545 1.00 0.47 N ATOM 506 CA ARG A 34 14.144 9.638 -4.897 1.00 0.53 C ATOM 507 C ARG A 34 13.722 8.604 -5.942 1.00 0.48 C ATOM 508 O ARG A 34 13.812 8.850 -7.146 1.00 0.56 O ATOM 509 CB ARG A 34 15.625 9.980 -5.064 1.00 0.64 C ATOM 510 CG ARG A 34 15.868 11.293 -5.794 1.00 1.12 C ATOM 511 CD ARG A 34 17.353 11.564 -5.965 1.00 1.55 C ATOM 512 NE ARG A 34 17.981 10.603 -6.871 1.00 2.28 N ATOM 513 CZ ARG A 34 19.076 9.905 -6.582 1.00 2.92 C ATOM 514 NH1 ARG A 34 19.680 10.052 -5.412 1.00 2.94 N ATOM 515 NH2 ARG A 34 19.568 9.057 -7.473 1.00 3.97 N ATOM 0 H ARG A 34 14.703 8.789 -3.065 1.00 0.47 H new ATOM 0 HA ARG A 34 13.551 10.539 -5.053 1.00 0.53 H new ATOM 0 HB2 ARG A 34 16.091 10.029 -4.080 1.00 0.64 H new ATOM 0 HB3 ARG A 34 16.116 9.174 -5.609 1.00 0.64 H new ATOM 0 HG2 ARG A 34 15.387 11.262 -6.772 1.00 1.12 H new ATOM 0 HG3 ARG A 34 15.409 12.111 -5.238 1.00 1.12 H new ATOM 0 HD2 ARG A 34 17.496 12.574 -6.350 1.00 1.55 H new ATOM 0 HD3 ARG A 34 17.844 11.521 -4.993 1.00 1.55 H new ATOM 0 HE ARG A 34 17.551 10.458 -7.785 1.00 2.28 H new ATOM 0 HH11 ARG A 34 19.306 10.705 -4.723 1.00 2.94 H new ATOM 0 HH12 ARG A 34 20.519 9.512 -5.200 1.00 2.94 H new ATOM 0 HH21 ARG A 34 19.107 8.942 -8.376 1.00 3.97 H new ATOM 0 HH22 ARG A 34 20.407 8.519 -7.256 1.00 3.97 H new ATOM 529 N ASP A 35 13.275 7.446 -5.475 1.00 0.46 N ATOM 530 CA ASP A 35 12.827 6.381 -6.365 1.00 0.50 C ATOM 531 C ASP A 35 11.361 6.073 -6.112 1.00 0.41 C ATOM 532 O ASP A 35 10.871 4.992 -6.446 1.00 0.38 O ATOM 533 CB ASP A 35 13.678 5.124 -6.177 1.00 0.68 C ATOM 534 CG ASP A 35 14.733 4.985 -7.255 1.00 1.04 C ATOM 535 OD1 ASP A 35 14.374 4.662 -8.405 1.00 1.70 O ATOM 536 OD2 ASP A 35 15.928 5.212 -6.958 1.00 1.58 O ATOM 0 H ASP A 35 13.213 7.219 -4.483 1.00 0.46 H new ATOM 0 HA ASP A 35 12.943 6.718 -7.395 1.00 0.50 H new ATOM 0 HB2 ASP A 35 14.160 5.156 -5.200 1.00 0.68 H new ATOM 0 HB3 ASP A 35 13.033 4.245 -6.186 1.00 0.68 H new ATOM 541 N ALA A 36 10.666 7.052 -5.536 1.00 0.40 N ATOM 542 CA ALA A 36 9.245 6.928 -5.217 1.00 0.37 C ATOM 543 C ALA A 36 8.414 6.476 -6.427 1.00 0.32 C ATOM 544 O ALA A 36 7.656 5.514 -6.318 1.00 0.33 O ATOM 545 CB ALA A 36 8.711 8.238 -4.650 1.00 0.43 C ATOM 0 H ALA A 36 11.071 7.952 -5.278 1.00 0.40 H new ATOM 0 HA ALA A 36 9.148 6.151 -4.459 1.00 0.37 H new ATOM 0 HB1 ALA A 36 7.652 8.129 -4.418 1.00 0.43 H new ATOM 0 HB2 ALA A 36 9.258 8.491 -3.741 1.00 0.43 H new ATOM 0 HB3 ALA A 36 8.841 9.032 -5.385 1.00 0.43 H new ATOM 551 N PRO A 37 8.526 7.143 -7.603 1.00 0.35 N ATOM 552 CA PRO A 37 7.765 6.742 -8.794 1.00 0.37 C ATOM 553 C PRO A 37 8.130 5.337 -9.277 1.00 0.35 C ATOM 554 O PRO A 37 7.278 4.602 -9.771 1.00 0.42 O ATOM 555 CB PRO A 37 8.145 7.789 -9.849 1.00 0.46 C ATOM 556 CG PRO A 37 9.423 8.384 -9.364 1.00 0.50 C ATOM 557 CD PRO A 37 9.359 8.335 -7.866 1.00 0.42 C ATOM 0 HA PRO A 37 6.695 6.703 -8.589 1.00 0.37 H new ATOM 0 HB2 PRO A 37 8.271 7.332 -10.830 1.00 0.46 H new ATOM 0 HB3 PRO A 37 7.369 8.548 -9.948 1.00 0.46 H new ATOM 0 HG2 PRO A 37 10.281 7.824 -9.737 1.00 0.50 H new ATOM 0 HG3 PRO A 37 9.535 9.409 -9.717 1.00 0.50 H new ATOM 0 HD2 PRO A 37 10.350 8.239 -7.423 1.00 0.42 H new ATOM 0 HD3 PRO A 37 8.911 9.239 -7.452 1.00 0.42 H new ATOM 565 N LYS A 38 9.394 4.961 -9.098 1.00 0.34 N ATOM 566 CA LYS A 38 9.871 3.651 -9.524 1.00 0.36 C ATOM 567 C LYS A 38 9.234 2.540 -8.696 1.00 0.34 C ATOM 568 O LYS A 38 8.764 1.541 -9.242 1.00 0.39 O ATOM 569 CB LYS A 38 11.396 3.571 -9.425 1.00 0.41 C ATOM 570 CG LYS A 38 11.960 2.184 -9.730 1.00 0.60 C ATOM 571 CD LYS A 38 12.739 2.156 -11.037 1.00 1.32 C ATOM 572 CE LYS A 38 11.828 2.325 -12.243 1.00 2.00 C ATOM 573 NZ LYS A 38 11.263 1.032 -12.717 1.00 2.78 N ATOM 0 H LYS A 38 10.106 5.546 -8.660 1.00 0.34 H new ATOM 0 HA LYS A 38 9.580 3.515 -10.565 1.00 0.36 H new ATOM 0 HB2 LYS A 38 11.834 4.291 -10.116 1.00 0.41 H new ATOM 0 HB3 LYS A 38 11.702 3.865 -8.421 1.00 0.41 H new ATOM 0 HG2 LYS A 38 12.611 1.871 -8.914 1.00 0.60 H new ATOM 0 HG3 LYS A 38 11.143 1.464 -9.780 1.00 0.60 H new ATOM 0 HD2 LYS A 38 13.486 2.950 -11.032 1.00 1.32 H new ATOM 0 HD3 LYS A 38 13.278 1.212 -11.118 1.00 1.32 H new ATOM 0 HE2 LYS A 38 11.013 3.002 -11.986 1.00 2.00 H new ATOM 0 HE3 LYS A 38 12.387 2.792 -13.054 1.00 2.00 H new ATOM 0 HZ1 LYS A 38 10.296 1.184 -13.068 1.00 2.78 H new ATOM 0 HZ2 LYS A 38 11.855 0.655 -13.484 1.00 2.78 H new ATOM 0 HZ3 LYS A 38 11.243 0.353 -11.930 1.00 2.78 H new ATOM 587 N VAL A 39 9.215 2.706 -7.383 1.00 0.31 N ATOM 588 CA VAL A 39 8.622 1.701 -6.517 1.00 0.31 C ATOM 589 C VAL A 39 7.097 1.750 -6.597 1.00 0.29 C ATOM 590 O VAL A 39 6.425 0.746 -6.372 1.00 0.31 O ATOM 591 CB VAL A 39 9.089 1.844 -5.054 1.00 0.34 C ATOM 592 CG1 VAL A 39 10.593 1.629 -4.958 1.00 0.39 C ATOM 593 CG2 VAL A 39 8.705 3.197 -4.482 1.00 0.33 C ATOM 0 H VAL A 39 9.599 3.517 -6.898 1.00 0.31 H new ATOM 0 HA VAL A 39 8.964 0.730 -6.874 1.00 0.31 H new ATOM 0 HB VAL A 39 8.586 1.079 -4.462 1.00 0.34 H new ATOM 0 HG11 VAL A 39 10.910 1.733 -3.920 1.00 0.39 H new ATOM 0 HG12 VAL A 39 10.841 0.630 -5.315 1.00 0.39 H new ATOM 0 HG13 VAL A 39 11.106 2.371 -5.570 1.00 0.39 H new ATOM 0 HG21 VAL A 39 9.048 3.266 -3.450 1.00 0.33 H new ATOM 0 HG22 VAL A 39 9.169 3.987 -5.073 1.00 0.33 H new ATOM 0 HG23 VAL A 39 7.621 3.311 -4.512 1.00 0.33 H new ATOM 603 N ALA A 40 6.560 2.919 -6.945 1.00 0.27 N ATOM 604 CA ALA A 40 5.119 3.094 -7.071 1.00 0.28 C ATOM 605 C ALA A 40 4.572 2.262 -8.227 1.00 0.28 C ATOM 606 O ALA A 40 3.606 1.517 -8.062 1.00 0.29 O ATOM 607 CB ALA A 40 4.770 4.561 -7.273 1.00 0.32 C ATOM 0 H ALA A 40 7.105 3.758 -7.144 1.00 0.27 H new ATOM 0 HA ALA A 40 4.657 2.750 -6.145 1.00 0.28 H new ATOM 0 HB1 ALA A 40 3.689 4.669 -7.365 1.00 0.32 H new ATOM 0 HB2 ALA A 40 5.121 5.140 -6.419 1.00 0.32 H new ATOM 0 HB3 ALA A 40 5.249 4.927 -8.181 1.00 0.32 H new ATOM 613 N GLU A 41 5.203 2.385 -9.394 1.00 0.31 N ATOM 614 CA GLU A 41 4.777 1.631 -10.568 1.00 0.36 C ATOM 615 C GLU A 41 5.019 0.142 -10.355 1.00 0.35 C ATOM 616 O GLU A 41 4.230 -0.693 -10.793 1.00 0.38 O ATOM 617 CB GLU A 41 5.504 2.113 -11.828 1.00 0.44 C ATOM 618 CG GLU A 41 7.016 2.140 -11.691 1.00 0.52 C ATOM 619 CD GLU A 41 7.732 2.037 -13.020 1.00 0.74 C ATOM 620 OE1 GLU A 41 7.417 2.821 -13.940 1.00 1.40 O ATOM 621 OE2 GLU A 41 8.618 1.171 -13.152 1.00 1.37 O ATOM 0 H GLU A 41 6.005 2.996 -9.550 1.00 0.31 H new ATOM 0 HA GLU A 41 3.709 1.799 -10.709 1.00 0.36 H new ATOM 0 HB2 GLU A 41 5.236 1.464 -12.662 1.00 0.44 H new ATOM 0 HB3 GLU A 41 5.153 3.114 -12.078 1.00 0.44 H new ATOM 0 HG2 GLU A 41 7.314 3.064 -11.195 1.00 0.52 H new ATOM 0 HG3 GLU A 41 7.332 1.317 -11.050 1.00 0.52 H new ATOM 628 N MET A 42 6.112 -0.181 -9.668 1.00 0.35 N ATOM 629 CA MET A 42 6.454 -1.568 -9.380 1.00 0.40 C ATOM 630 C MET A 42 5.405 -2.182 -8.461 1.00 0.35 C ATOM 631 O MET A 42 5.000 -3.330 -8.643 1.00 0.35 O ATOM 632 CB MET A 42 7.838 -1.655 -8.733 1.00 0.51 C ATOM 633 CG MET A 42 8.592 -2.931 -9.072 1.00 1.09 C ATOM 634 SD MET A 42 10.248 -2.974 -8.354 1.00 0.98 S ATOM 635 CE MET A 42 10.917 -1.414 -8.927 1.00 1.51 C ATOM 0 H MET A 42 6.776 0.501 -9.301 1.00 0.35 H new ATOM 0 HA MET A 42 6.475 -2.125 -10.317 1.00 0.40 H new ATOM 0 HB2 MET A 42 8.432 -0.798 -9.050 1.00 0.51 H new ATOM 0 HB3 MET A 42 7.728 -1.585 -7.651 1.00 0.51 H new ATOM 0 HG2 MET A 42 8.023 -3.790 -8.715 1.00 1.09 H new ATOM 0 HG3 MET A 42 8.668 -3.027 -10.155 1.00 1.09 H new ATOM 0 HE1 MET A 42 11.999 -1.499 -9.032 1.00 1.51 H new ATOM 0 HE2 MET A 42 10.477 -1.162 -9.892 1.00 1.51 H new ATOM 0 HE3 MET A 42 10.683 -0.631 -8.206 1.00 1.51 H new ATOM 645 N TRP A 43 4.964 -1.399 -7.483 1.00 0.32 N ATOM 646 CA TRP A 43 3.947 -1.834 -6.543 1.00 0.30 C ATOM 647 C TRP A 43 2.641 -2.091 -7.284 1.00 0.27 C ATOM 648 O TRP A 43 2.014 -3.138 -7.120 1.00 0.28 O ATOM 649 CB TRP A 43 3.746 -0.767 -5.463 1.00 0.30 C ATOM 650 CG TRP A 43 2.710 -1.125 -4.440 1.00 0.30 C ATOM 651 CD1 TRP A 43 2.838 -2.030 -3.424 1.00 0.34 C ATOM 652 CD2 TRP A 43 1.390 -0.579 -4.327 1.00 0.31 C ATOM 653 NE1 TRP A 43 1.676 -2.083 -2.694 1.00 0.37 N ATOM 654 CE2 TRP A 43 0.776 -1.200 -3.223 1.00 0.35 C ATOM 655 CE3 TRP A 43 0.668 0.380 -5.047 1.00 0.34 C ATOM 656 CZ2 TRP A 43 -0.523 -0.900 -2.827 1.00 0.40 C ATOM 657 CZ3 TRP A 43 -0.624 0.676 -4.652 1.00 0.39 C ATOM 658 CH2 TRP A 43 -1.206 0.041 -3.548 1.00 0.41 C ATOM 0 H TRP A 43 5.302 -0.450 -7.323 1.00 0.32 H new ATOM 0 HA TRP A 43 4.269 -2.759 -6.064 1.00 0.30 H new ATOM 0 HB2 TRP A 43 4.696 -0.592 -4.958 1.00 0.30 H new ATOM 0 HB3 TRP A 43 3.462 0.170 -5.941 1.00 0.30 H new ATOM 0 HD1 TRP A 43 3.722 -2.617 -3.225 1.00 0.34 H new ATOM 0 HE1 TRP A 43 1.511 -2.684 -1.887 1.00 0.37 H new ATOM 0 HE3 TRP A 43 1.112 0.880 -5.895 1.00 0.34 H new ATOM 0 HZ2 TRP A 43 -0.977 -1.393 -1.980 1.00 0.40 H new ATOM 0 HZ3 TRP A 43 -1.193 1.409 -5.204 1.00 0.39 H new ATOM 0 HH2 TRP A 43 -2.214 0.299 -3.260 1.00 0.41 H new ATOM 669 N LYS A 44 2.255 -1.136 -8.123 1.00 0.27 N ATOM 670 CA LYS A 44 1.031 -1.246 -8.907 1.00 0.28 C ATOM 671 C LYS A 44 1.086 -2.472 -9.807 1.00 0.30 C ATOM 672 O LYS A 44 0.134 -3.248 -9.871 1.00 0.31 O ATOM 673 CB LYS A 44 0.819 0.013 -9.754 1.00 0.32 C ATOM 674 CG LYS A 44 -0.514 0.037 -10.488 1.00 0.46 C ATOM 675 CD LYS A 44 -0.370 0.561 -11.914 1.00 0.66 C ATOM 676 CE LYS A 44 0.362 -0.430 -12.807 1.00 1.03 C ATOM 677 NZ LYS A 44 0.385 0.006 -14.228 1.00 1.11 N ATOM 0 H LYS A 44 2.776 -0.273 -8.278 1.00 0.27 H new ATOM 0 HA LYS A 44 0.193 -1.350 -8.218 1.00 0.28 H new ATOM 0 HB2 LYS A 44 0.885 0.890 -9.109 1.00 0.32 H new ATOM 0 HB3 LYS A 44 1.626 0.091 -10.482 1.00 0.32 H new ATOM 0 HG2 LYS A 44 -0.933 -0.969 -10.512 1.00 0.46 H new ATOM 0 HG3 LYS A 44 -1.218 0.663 -9.941 1.00 0.46 H new ATOM 0 HD2 LYS A 44 -1.357 0.764 -12.329 1.00 0.66 H new ATOM 0 HD3 LYS A 44 0.171 1.507 -11.901 1.00 0.66 H new ATOM 0 HE2 LYS A 44 1.384 -0.552 -12.450 1.00 1.03 H new ATOM 0 HE3 LYS A 44 -0.119 -1.405 -12.736 1.00 1.03 H new ATOM 0 HZ1 LYS A 44 0.951 -0.664 -14.787 1.00 1.11 H new ATOM 0 HZ2 LYS A 44 -0.586 0.033 -14.599 1.00 1.11 H new ATOM 0 HZ3 LYS A 44 0.807 0.954 -14.293 1.00 1.11 H new ATOM 691 N GLU A 45 2.212 -2.640 -10.495 1.00 0.35 N ATOM 692 CA GLU A 45 2.405 -3.772 -11.392 1.00 0.41 C ATOM 693 C GLU A 45 2.288 -5.085 -10.628 1.00 0.40 C ATOM 694 O GLU A 45 1.593 -6.001 -11.054 1.00 0.46 O ATOM 695 CB GLU A 45 3.778 -3.695 -12.060 1.00 0.51 C ATOM 696 CG GLU A 45 3.723 -3.743 -13.576 1.00 0.73 C ATOM 697 CD GLU A 45 3.246 -2.440 -14.177 1.00 1.21 C ATOM 698 OE1 GLU A 45 3.993 -1.444 -14.105 1.00 1.96 O ATOM 699 OE2 GLU A 45 2.127 -2.404 -14.732 1.00 1.76 O ATOM 0 H GLU A 45 3.007 -2.003 -10.447 1.00 0.35 H new ATOM 0 HA GLU A 45 1.630 -3.733 -12.157 1.00 0.41 H new ATOM 0 HB2 GLU A 45 4.271 -2.773 -11.752 1.00 0.51 H new ATOM 0 HB3 GLU A 45 4.393 -4.520 -11.701 1.00 0.51 H new ATOM 0 HG2 GLU A 45 4.713 -3.979 -13.966 1.00 0.73 H new ATOM 0 HG3 GLU A 45 3.058 -4.549 -13.887 1.00 0.73 H new ATOM 706 N TYR A 46 2.966 -5.151 -9.490 1.00 0.39 N ATOM 707 CA TYR A 46 2.962 -6.340 -8.651 1.00 0.42 C ATOM 708 C TYR A 46 1.558 -6.671 -8.155 1.00 0.40 C ATOM 709 O TYR A 46 1.097 -7.803 -8.278 1.00 0.45 O ATOM 710 CB TYR A 46 3.900 -6.133 -7.459 1.00 0.45 C ATOM 711 CG TYR A 46 4.001 -7.329 -6.540 1.00 0.59 C ATOM 712 CD1 TYR A 46 4.694 -8.469 -6.929 1.00 1.39 C ATOM 713 CD2 TYR A 46 3.406 -7.316 -5.285 1.00 1.06 C ATOM 714 CE1 TYR A 46 4.790 -9.562 -6.092 1.00 1.58 C ATOM 715 CE2 TYR A 46 3.498 -8.407 -4.443 1.00 1.12 C ATOM 716 CZ TYR A 46 4.191 -9.526 -4.853 1.00 1.03 C ATOM 717 OH TYR A 46 4.287 -10.614 -4.019 1.00 1.27 O ATOM 0 H TYR A 46 3.532 -4.385 -9.124 1.00 0.39 H new ATOM 0 HA TYR A 46 3.310 -7.179 -9.253 1.00 0.42 H new ATOM 0 HB2 TYR A 46 4.895 -5.889 -7.831 1.00 0.45 H new ATOM 0 HB3 TYR A 46 3.555 -5.274 -6.884 1.00 0.45 H new ATOM 0 HD1 TYR A 46 5.164 -8.500 -7.901 1.00 1.39 H new ATOM 0 HD2 TYR A 46 2.863 -6.440 -4.963 1.00 1.06 H new ATOM 0 HE1 TYR A 46 5.332 -10.441 -6.407 1.00 1.58 H new ATOM 0 HE2 TYR A 46 3.030 -8.384 -3.470 1.00 1.12 H new ATOM 0 HH TYR A 46 5.069 -11.150 -4.269 1.00 1.27 H new ATOM 727 N MET A 47 0.875 -5.673 -7.610 1.00 0.36 N ATOM 728 CA MET A 47 -0.474 -5.861 -7.080 1.00 0.39 C ATOM 729 C MET A 47 -1.466 -6.260 -8.172 1.00 0.37 C ATOM 730 O MET A 47 -2.451 -6.953 -7.908 1.00 0.43 O ATOM 731 CB MET A 47 -0.950 -4.583 -6.388 1.00 0.42 C ATOM 732 CG MET A 47 -0.156 -4.232 -5.138 1.00 0.57 C ATOM 733 SD MET A 47 -0.502 -5.330 -3.750 1.00 0.70 S ATOM 734 CE MET A 47 -2.146 -4.788 -3.295 1.00 0.37 C ATOM 0 H MET A 47 1.232 -4.722 -7.522 1.00 0.36 H new ATOM 0 HA MET A 47 -0.431 -6.675 -6.357 1.00 0.39 H new ATOM 0 HB2 MET A 47 -0.887 -3.754 -7.093 1.00 0.42 H new ATOM 0 HB3 MET A 47 -2.001 -4.695 -6.121 1.00 0.42 H new ATOM 0 HG2 MET A 47 0.909 -4.271 -5.368 1.00 0.57 H new ATOM 0 HG3 MET A 47 -0.382 -3.206 -4.847 1.00 0.57 H new ATOM 0 HE1 MET A 47 -2.645 -5.575 -2.729 1.00 0.37 H new ATOM 0 HE2 MET A 47 -2.076 -3.889 -2.683 1.00 0.37 H new ATOM 0 HE3 MET A 47 -2.720 -4.570 -4.196 1.00 0.37 H new ATOM 744 N LEU A 48 -1.202 -5.838 -9.400 1.00 0.37 N ATOM 745 CA LEU A 48 -2.088 -6.151 -10.517 1.00 0.41 C ATOM 746 C LEU A 48 -1.584 -7.351 -11.317 1.00 0.46 C ATOM 747 O LEU A 48 -1.932 -7.515 -12.488 1.00 0.59 O ATOM 748 CB LEU A 48 -2.242 -4.935 -11.436 1.00 0.45 C ATOM 749 CG LEU A 48 -2.886 -3.705 -10.792 1.00 0.57 C ATOM 750 CD1 LEU A 48 -3.066 -2.600 -11.820 1.00 0.63 C ATOM 751 CD2 LEU A 48 -4.223 -4.065 -10.162 1.00 0.88 C ATOM 0 H LEU A 48 -0.386 -5.280 -9.650 1.00 0.37 H new ATOM 0 HA LEU A 48 -3.061 -6.410 -10.100 1.00 0.41 H new ATOM 0 HB2 LEU A 48 -1.257 -4.655 -11.809 1.00 0.45 H new ATOM 0 HB3 LEU A 48 -2.839 -5.227 -12.300 1.00 0.45 H new ATOM 0 HG LEU A 48 -2.222 -3.344 -10.006 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -3.525 -1.733 -11.345 1.00 0.63 H new ATOM 0 HD12 LEU A 48 -2.094 -2.319 -12.226 1.00 0.63 H new ATOM 0 HD13 LEU A 48 -3.708 -2.954 -12.627 1.00 0.63 H new ATOM 0 HD21 LEU A 48 -4.663 -3.176 -9.710 1.00 0.88 H new ATOM 0 HD22 LEU A 48 -4.894 -4.453 -10.929 1.00 0.88 H new ATOM 0 HD23 LEU A 48 -4.071 -4.825 -9.395 1.00 0.88 H new ATOM 763 N ARG A 49 -0.766 -8.188 -10.689 1.00 0.46 N ATOM 764 CA ARG A 49 -0.244 -9.372 -11.358 1.00 0.53 C ATOM 765 C ARG A 49 -1.013 -10.618 -10.927 1.00 0.54 C ATOM 766 O ARG A 49 -1.344 -10.778 -9.751 1.00 0.49 O ATOM 767 CB ARG A 49 1.249 -9.554 -11.076 1.00 0.60 C ATOM 768 CG ARG A 49 2.134 -8.814 -12.059 1.00 0.74 C ATOM 769 CD ARG A 49 3.604 -9.036 -11.763 1.00 1.01 C ATOM 770 NE ARG A 49 4.054 -10.371 -12.162 1.00 1.38 N ATOM 771 CZ ARG A 49 5.227 -10.617 -12.747 1.00 1.90 C ATOM 772 NH1 ARG A 49 6.072 -9.624 -12.997 1.00 2.19 N ATOM 773 NH2 ARG A 49 5.559 -11.857 -13.083 1.00 2.69 N ATOM 0 H ARG A 49 -0.452 -8.070 -9.726 1.00 0.46 H new ATOM 0 HA ARG A 49 -0.375 -9.230 -12.431 1.00 0.53 H new ATOM 0 HB2 ARG A 49 1.467 -9.206 -10.066 1.00 0.60 H new ATOM 0 HB3 ARG A 49 1.492 -10.616 -11.106 1.00 0.60 H new ATOM 0 HG2 ARG A 49 1.912 -9.148 -13.072 1.00 0.74 H new ATOM 0 HG3 ARG A 49 1.911 -7.748 -12.019 1.00 0.74 H new ATOM 0 HD2 ARG A 49 4.195 -8.284 -12.285 1.00 1.01 H new ATOM 0 HD3 ARG A 49 3.783 -8.898 -10.697 1.00 1.01 H new ATOM 0 HE ARG A 49 3.433 -11.160 -11.982 1.00 1.38 H new ATOM 0 HH11 ARG A 49 5.825 -8.668 -12.741 1.00 2.19 H new ATOM 0 HH12 ARG A 49 6.968 -9.817 -13.445 1.00 2.19 H new ATOM 0 HH21 ARG A 49 4.916 -12.626 -12.894 1.00 2.69 H new ATOM 0 HH22 ARG A 49 6.457 -12.041 -13.530 1.00 2.69 H new ATOM 787 N PRO A 50 -1.306 -11.515 -11.882 1.00 0.65 N ATOM 788 CA PRO A 50 -2.045 -12.759 -11.617 1.00 0.71 C ATOM 789 C PRO A 50 -1.199 -13.808 -10.896 1.00 0.73 C ATOM 790 O PRO A 50 -1.677 -14.897 -10.576 1.00 0.78 O ATOM 791 CB PRO A 50 -2.413 -13.245 -13.018 1.00 0.89 C ATOM 792 CG PRO A 50 -1.336 -12.710 -13.894 1.00 0.94 C ATOM 793 CD PRO A 50 -0.956 -11.377 -13.310 1.00 0.77 C ATOM 0 HA PRO A 50 -2.900 -12.593 -10.961 1.00 0.71 H new ATOM 0 HB2 PRO A 50 -2.456 -14.333 -13.062 1.00 0.89 H new ATOM 0 HB3 PRO A 50 -3.392 -12.875 -13.322 1.00 0.89 H new ATOM 0 HG2 PRO A 50 -0.480 -13.385 -13.918 1.00 0.94 H new ATOM 0 HG3 PRO A 50 -1.685 -12.602 -14.921 1.00 0.94 H new ATOM 0 HD2 PRO A 50 0.105 -11.167 -13.445 1.00 0.77 H new ATOM 0 HD3 PRO A 50 -1.505 -10.561 -13.781 1.00 0.77 H new ATOM 801 N SER A 51 0.058 -13.472 -10.652 1.00 0.75 N ATOM 802 CA SER A 51 0.979 -14.370 -9.975 1.00 0.84 C ATOM 803 C SER A 51 1.119 -13.992 -8.503 1.00 0.76 C ATOM 804 O SER A 51 2.067 -14.400 -7.829 1.00 0.90 O ATOM 805 CB SER A 51 2.340 -14.313 -10.669 1.00 0.96 C ATOM 806 OG SER A 51 2.503 -13.081 -11.360 1.00 1.33 O ATOM 0 H SER A 51 0.466 -12.575 -10.916 1.00 0.75 H new ATOM 0 HA SER A 51 0.587 -15.386 -10.025 1.00 0.84 H new ATOM 0 HB2 SER A 51 3.134 -14.430 -9.932 1.00 0.96 H new ATOM 0 HB3 SER A 51 2.431 -15.143 -11.370 1.00 0.96 H new ATOM 0 HG SER A 51 3.084 -13.217 -12.138 1.00 1.33 H new ATOM 812 N VAL A 52 0.171 -13.205 -8.010 1.00 0.59 N ATOM 813 CA VAL A 52 0.193 -12.764 -6.625 1.00 0.56 C ATOM 814 C VAL A 52 -1.092 -13.156 -5.902 1.00 0.50 C ATOM 815 O VAL A 52 -2.177 -12.683 -6.243 1.00 0.51 O ATOM 816 CB VAL A 52 0.386 -11.236 -6.530 1.00 0.52 C ATOM 817 CG1 VAL A 52 0.580 -10.803 -5.087 1.00 0.58 C ATOM 818 CG2 VAL A 52 1.565 -10.790 -7.380 1.00 0.57 C ATOM 0 H VAL A 52 -0.622 -12.860 -8.551 1.00 0.59 H new ATOM 0 HA VAL A 52 1.037 -13.259 -6.144 1.00 0.56 H new ATOM 0 HB VAL A 52 -0.516 -10.758 -6.912 1.00 0.52 H new ATOM 0 HG11 VAL A 52 0.714 -9.722 -5.046 1.00 0.58 H new ATOM 0 HG12 VAL A 52 -0.297 -11.082 -4.502 1.00 0.58 H new ATOM 0 HG13 VAL A 52 1.462 -11.294 -4.675 1.00 0.58 H new ATOM 0 HG21 VAL A 52 1.684 -9.710 -7.299 1.00 0.57 H new ATOM 0 HG22 VAL A 52 2.473 -11.282 -7.030 1.00 0.57 H new ATOM 0 HG23 VAL A 52 1.385 -11.058 -8.421 1.00 0.57 H new ATOM 828 N ASN A 53 -0.958 -14.034 -4.914 1.00 0.51 N ATOM 829 CA ASN A 53 -2.098 -14.491 -4.123 1.00 0.52 C ATOM 830 C ASN A 53 -2.649 -13.337 -3.283 1.00 0.48 C ATOM 831 O ASN A 53 -1.944 -12.356 -3.023 1.00 0.47 O ATOM 832 CB ASN A 53 -1.682 -15.658 -3.218 1.00 0.61 C ATOM 833 CG ASN A 53 -2.858 -16.297 -2.499 1.00 1.09 C ATOM 834 OD1 ASN A 53 -3.961 -16.377 -3.037 1.00 1.80 O ATOM 835 ND2 ASN A 53 -2.632 -16.754 -1.279 1.00 1.64 N ATOM 0 H ASN A 53 -0.066 -14.446 -4.640 1.00 0.51 H new ATOM 0 HA ASN A 53 -2.880 -14.838 -4.799 1.00 0.52 H new ATOM 0 HB2 ASN A 53 -1.175 -16.414 -3.818 1.00 0.61 H new ATOM 0 HB3 ASN A 53 -0.962 -15.301 -2.481 1.00 0.61 H new ATOM 0 HD21 ASN A 53 -3.387 -17.191 -0.750 1.00 1.64 H new ATOM 0 HD22 ASN A 53 -1.703 -16.669 -0.867 1.00 1.64 H new ATOM 842 N THR A 54 -3.897 -13.463 -2.846 1.00 0.48 N ATOM 843 CA THR A 54 -4.555 -12.427 -2.057 1.00 0.49 C ATOM 844 C THR A 54 -3.788 -12.089 -0.776 1.00 0.47 C ATOM 845 O THR A 54 -3.718 -10.927 -0.380 1.00 0.47 O ATOM 846 CB THR A 54 -5.987 -12.850 -1.697 1.00 0.57 C ATOM 847 OG1 THR A 54 -6.068 -14.281 -1.650 1.00 0.75 O ATOM 848 CG2 THR A 54 -6.988 -12.313 -2.710 1.00 0.81 C ATOM 0 H THR A 54 -4.479 -14.281 -3.027 1.00 0.48 H new ATOM 0 HA THR A 54 -4.578 -11.532 -2.678 1.00 0.49 H new ATOM 0 HB THR A 54 -6.233 -12.434 -0.720 1.00 0.57 H new ATOM 0 HG1 THR A 54 -6.324 -14.623 -2.532 1.00 0.75 H new ATOM 0 HG21 THR A 54 -7.993 -12.628 -2.430 1.00 0.81 H new ATOM 0 HG22 THR A 54 -6.940 -11.224 -2.727 1.00 0.81 H new ATOM 0 HG23 THR A 54 -6.748 -12.702 -3.700 1.00 0.81 H new ATOM 856 N ARG A 55 -3.208 -13.101 -0.134 1.00 0.50 N ATOM 857 CA ARG A 55 -2.452 -12.882 1.095 1.00 0.54 C ATOM 858 C ARG A 55 -1.271 -11.955 0.840 1.00 0.49 C ATOM 859 O ARG A 55 -0.988 -11.068 1.641 1.00 0.50 O ATOM 860 CB ARG A 55 -1.958 -14.208 1.682 1.00 0.65 C ATOM 861 CG ARG A 55 -2.614 -14.570 3.006 1.00 0.94 C ATOM 862 CD ARG A 55 -2.238 -13.595 4.116 1.00 1.52 C ATOM 863 NE ARG A 55 -0.974 -13.950 4.772 1.00 2.10 N ATOM 864 CZ ARG A 55 -0.658 -13.590 6.021 1.00 2.74 C ATOM 865 NH1 ARG A 55 -1.515 -12.895 6.756 1.00 3.00 N ATOM 866 NH2 ARG A 55 0.515 -13.934 6.538 1.00 3.58 N ATOM 0 H ARG A 55 -3.247 -14.073 -0.442 1.00 0.50 H new ATOM 0 HA ARG A 55 -3.120 -12.413 1.817 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -2.145 -15.006 0.963 1.00 0.65 H new ATOM 0 HB3 ARG A 55 -0.879 -14.153 1.824 1.00 0.65 H new ATOM 0 HG2 ARG A 55 -3.697 -14.579 2.883 1.00 0.94 H new ATOM 0 HG3 ARG A 55 -2.317 -15.579 3.294 1.00 0.94 H new ATOM 0 HD2 ARG A 55 -2.158 -12.590 3.701 1.00 1.52 H new ATOM 0 HD3 ARG A 55 -3.035 -13.571 4.859 1.00 1.52 H new ATOM 0 HE ARG A 55 -0.298 -14.503 4.245 1.00 2.10 H new ATOM 0 HH11 ARG A 55 -2.422 -12.632 6.370 1.00 3.00 H new ATOM 0 HH12 ARG A 55 -1.268 -12.624 7.708 1.00 3.00 H new ATOM 0 HH21 ARG A 55 1.178 -14.474 5.983 1.00 3.58 H new ATOM 0 HH22 ARG A 55 0.753 -13.658 7.491 1.00 3.58 H new ATOM 880 N ARG A 56 -0.600 -12.150 -0.290 1.00 0.49 N ATOM 881 CA ARG A 56 0.547 -11.323 -0.640 1.00 0.48 C ATOM 882 C ARG A 56 0.097 -9.912 -0.998 1.00 0.43 C ATOM 883 O ARG A 56 0.779 -8.937 -0.685 1.00 0.46 O ATOM 884 CB ARG A 56 1.330 -11.939 -1.796 1.00 0.53 C ATOM 885 CG ARG A 56 1.819 -13.351 -1.513 1.00 0.67 C ATOM 886 CD ARG A 56 3.245 -13.560 -1.995 1.00 0.84 C ATOM 887 NE ARG A 56 3.438 -13.068 -3.357 1.00 1.55 N ATOM 888 CZ ARG A 56 3.280 -13.808 -4.452 1.00 2.18 C ATOM 889 NH1 ARG A 56 2.928 -15.080 -4.356 1.00 2.58 N ATOM 890 NH2 ARG A 56 3.474 -13.265 -5.645 1.00 3.05 N ATOM 0 H ARG A 56 -0.830 -12.870 -0.975 1.00 0.49 H new ATOM 0 HA ARG A 56 1.204 -11.271 0.228 1.00 0.48 H new ATOM 0 HB2 ARG A 56 0.699 -11.953 -2.685 1.00 0.53 H new ATOM 0 HB3 ARG A 56 2.187 -11.305 -2.023 1.00 0.53 H new ATOM 0 HG2 ARG A 56 1.765 -13.547 -0.442 1.00 0.67 H new ATOM 0 HG3 ARG A 56 1.161 -14.069 -2.002 1.00 0.67 H new ATOM 0 HD2 ARG A 56 3.934 -13.048 -1.323 1.00 0.84 H new ATOM 0 HD3 ARG A 56 3.490 -14.621 -1.954 1.00 0.84 H new ATOM 0 HE ARG A 56 3.712 -12.093 -3.477 1.00 1.55 H new ATOM 0 HH11 ARG A 56 2.776 -15.499 -3.439 1.00 2.58 H new ATOM 0 HH12 ARG A 56 2.809 -15.641 -5.199 1.00 2.58 H new ATOM 0 HH21 ARG A 56 3.743 -12.284 -5.721 1.00 3.05 H new ATOM 0 HH22 ARG A 56 3.354 -13.828 -6.487 1.00 3.05 H new ATOM 904 N LYS A 57 -1.056 -9.807 -1.653 1.00 0.38 N ATOM 905 CA LYS A 57 -1.600 -8.505 -2.023 1.00 0.36 C ATOM 906 C LYS A 57 -1.958 -7.729 -0.760 1.00 0.35 C ATOM 907 O LYS A 57 -1.776 -6.514 -0.680 1.00 0.36 O ATOM 908 CB LYS A 57 -2.834 -8.660 -2.916 1.00 0.37 C ATOM 909 CG LYS A 57 -2.534 -9.262 -4.280 1.00 0.39 C ATOM 910 CD LYS A 57 -3.688 -9.052 -5.246 1.00 0.59 C ATOM 911 CE LYS A 57 -3.419 -9.723 -6.581 1.00 0.50 C ATOM 912 NZ LYS A 57 -4.267 -9.161 -7.662 1.00 0.46 N ATOM 0 H LYS A 57 -1.628 -10.602 -1.937 1.00 0.38 H new ATOM 0 HA LYS A 57 -0.845 -7.957 -2.587 1.00 0.36 H new ATOM 0 HB2 LYS A 57 -3.564 -9.288 -2.405 1.00 0.37 H new ATOM 0 HB3 LYS A 57 -3.296 -7.682 -3.054 1.00 0.37 H new ATOM 0 HG2 LYS A 57 -1.630 -8.810 -4.688 1.00 0.39 H new ATOM 0 HG3 LYS A 57 -2.337 -10.329 -4.173 1.00 0.39 H new ATOM 0 HD2 LYS A 57 -4.605 -9.453 -4.813 1.00 0.59 H new ATOM 0 HD3 LYS A 57 -3.848 -7.985 -5.399 1.00 0.59 H new ATOM 0 HE2 LYS A 57 -2.368 -9.602 -6.843 1.00 0.50 H new ATOM 0 HE3 LYS A 57 -3.604 -10.794 -6.493 1.00 0.50 H new ATOM 0 HZ1 LYS A 57 -4.343 -9.850 -8.437 1.00 0.46 H new ATOM 0 HZ2 LYS A 57 -5.215 -8.955 -7.288 1.00 0.46 H new ATOM 0 HZ3 LYS A 57 -3.838 -8.284 -8.019 1.00 0.46 H new ATOM 926 N LEU A 58 -2.463 -8.450 0.231 1.00 0.36 N ATOM 927 CA LEU A 58 -2.830 -7.858 1.508 1.00 0.37 C ATOM 928 C LEU A 58 -1.584 -7.309 2.194 1.00 0.37 C ATOM 929 O LEU A 58 -1.619 -6.259 2.837 1.00 0.38 O ATOM 930 CB LEU A 58 -3.509 -8.907 2.388 1.00 0.42 C ATOM 931 CG LEU A 58 -4.267 -8.363 3.600 1.00 0.77 C ATOM 932 CD1 LEU A 58 -5.443 -7.501 3.162 1.00 1.26 C ATOM 933 CD2 LEU A 58 -4.741 -9.509 4.478 1.00 1.15 C ATOM 0 H LEU A 58 -2.629 -9.455 0.173 1.00 0.36 H new ATOM 0 HA LEU A 58 -3.529 -7.038 1.343 1.00 0.37 H new ATOM 0 HB2 LEU A 58 -4.205 -9.476 1.772 1.00 0.42 H new ATOM 0 HB3 LEU A 58 -2.750 -9.606 2.740 1.00 0.42 H new ATOM 0 HG LEU A 58 -3.588 -7.736 4.179 1.00 0.77 H new ATOM 0 HD11 LEU A 58 -5.966 -7.126 4.041 1.00 1.26 H new ATOM 0 HD12 LEU A 58 -5.078 -6.661 2.571 1.00 1.26 H new ATOM 0 HD13 LEU A 58 -6.128 -8.098 2.560 1.00 1.26 H new ATOM 0 HD21 LEU A 58 -5.279 -9.110 5.338 1.00 1.15 H new ATOM 0 HD22 LEU A 58 -5.403 -10.157 3.904 1.00 1.15 H new ATOM 0 HD23 LEU A 58 -3.881 -10.083 4.823 1.00 1.15 H new ATOM 945 N LEU A 59 -0.478 -8.031 2.032 1.00 0.38 N ATOM 946 CA LEU A 59 0.800 -7.630 2.603 1.00 0.40 C ATOM 947 C LEU A 59 1.307 -6.373 1.904 1.00 0.37 C ATOM 948 O LEU A 59 1.858 -5.473 2.541 1.00 0.38 O ATOM 949 CB LEU A 59 1.827 -8.758 2.458 1.00 0.45 C ATOM 950 CG LEU A 59 2.057 -9.612 3.708 1.00 0.63 C ATOM 951 CD1 LEU A 59 0.747 -10.178 4.235 1.00 1.54 C ATOM 952 CD2 LEU A 59 3.036 -10.734 3.398 1.00 1.21 C ATOM 0 H LEU A 59 -0.444 -8.904 1.505 1.00 0.38 H new ATOM 0 HA LEU A 59 0.660 -7.420 3.663 1.00 0.40 H new ATOM 0 HB2 LEU A 59 1.508 -9.413 1.647 1.00 0.45 H new ATOM 0 HB3 LEU A 59 2.780 -8.321 2.159 1.00 0.45 H new ATOM 0 HG LEU A 59 2.481 -8.976 4.485 1.00 0.63 H new ATOM 0 HD11 LEU A 59 0.942 -10.780 5.123 1.00 1.54 H new ATOM 0 HD12 LEU A 59 0.074 -9.360 4.492 1.00 1.54 H new ATOM 0 HD13 LEU A 59 0.285 -10.801 3.469 1.00 1.54 H new ATOM 0 HD21 LEU A 59 3.194 -11.337 4.292 1.00 1.21 H new ATOM 0 HD22 LEU A 59 2.631 -11.362 2.605 1.00 1.21 H new ATOM 0 HD23 LEU A 59 3.986 -10.309 3.075 1.00 1.21 H new ATOM 964 N GLY A 60 1.110 -6.320 0.587 1.00 0.37 N ATOM 965 CA GLY A 60 1.528 -5.167 -0.189 1.00 0.37 C ATOM 966 C GLY A 60 0.784 -3.918 0.231 1.00 0.35 C ATOM 967 O GLY A 60 1.325 -2.810 0.182 1.00 0.36 O ATOM 0 H GLY A 60 0.666 -7.060 0.043 1.00 0.37 H new ATOM 0 HA2 GLY A 60 2.600 -5.013 -0.065 1.00 0.37 H new ATOM 0 HA3 GLY A 60 1.354 -5.357 -1.248 1.00 0.37 H new ATOM 971 N LEU A 61 -0.467 -4.101 0.638 1.00 0.35 N ATOM 972 CA LEU A 61 -1.298 -2.998 1.100 1.00 0.36 C ATOM 973 C LEU A 61 -0.737 -2.454 2.408 1.00 0.35 C ATOM 974 O LEU A 61 -0.697 -1.241 2.627 1.00 0.36 O ATOM 975 CB LEU A 61 -2.741 -3.470 1.307 1.00 0.40 C ATOM 976 CG LEU A 61 -3.829 -2.561 0.729 1.00 0.52 C ATOM 977 CD1 LEU A 61 -5.205 -3.122 1.048 1.00 1.23 C ATOM 978 CD2 LEU A 61 -3.701 -1.144 1.267 1.00 1.10 C ATOM 0 H LEU A 61 -0.930 -5.010 0.657 1.00 0.35 H new ATOM 0 HA LEU A 61 -1.295 -2.210 0.347 1.00 0.36 H new ATOM 0 HB2 LEU A 61 -2.847 -4.460 0.862 1.00 0.40 H new ATOM 0 HB3 LEU A 61 -2.917 -3.581 2.377 1.00 0.40 H new ATOM 0 HG LEU A 61 -3.702 -2.525 -0.353 1.00 0.52 H new ATOM 0 HD11 LEU A 61 -5.970 -2.467 0.632 1.00 1.23 H new ATOM 0 HD12 LEU A 61 -5.302 -4.116 0.612 1.00 1.23 H new ATOM 0 HD13 LEU A 61 -5.330 -3.186 2.129 1.00 1.23 H new ATOM 0 HD21 LEU A 61 -4.486 -0.520 0.840 1.00 1.10 H new ATOM 0 HD22 LEU A 61 -3.798 -1.157 2.353 1.00 1.10 H new ATOM 0 HD23 LEU A 61 -2.727 -0.738 0.995 1.00 1.10 H new ATOM 990 N TYR A 62 -0.293 -3.368 3.266 1.00 0.36 N ATOM 991 CA TYR A 62 0.278 -3.006 4.556 1.00 0.37 C ATOM 992 C TYR A 62 1.508 -2.128 4.361 1.00 0.34 C ATOM 993 O TYR A 62 1.676 -1.116 5.042 1.00 0.35 O ATOM 994 CB TYR A 62 0.666 -4.260 5.347 1.00 0.44 C ATOM 995 CG TYR A 62 -0.500 -5.140 5.759 1.00 0.53 C ATOM 996 CD1 TYR A 62 -1.795 -4.639 5.835 1.00 1.30 C ATOM 997 CD2 TYR A 62 -0.297 -6.478 6.078 1.00 1.23 C ATOM 998 CE1 TYR A 62 -2.850 -5.446 6.216 1.00 1.38 C ATOM 999 CE2 TYR A 62 -1.348 -7.289 6.461 1.00 1.35 C ATOM 1000 CZ TYR A 62 -2.620 -6.769 6.527 1.00 0.89 C ATOM 1001 OH TYR A 62 -3.668 -7.575 6.913 1.00 1.10 O ATOM 0 H TYR A 62 -0.319 -4.372 3.087 1.00 0.36 H new ATOM 0 HA TYR A 62 -0.475 -2.453 5.117 1.00 0.37 H new ATOM 0 HB2 TYR A 62 1.355 -4.853 4.746 1.00 0.44 H new ATOM 0 HB3 TYR A 62 1.206 -3.954 6.243 1.00 0.44 H new ATOM 0 HD1 TYR A 62 -1.979 -3.603 5.592 1.00 1.30 H new ATOM 0 HD2 TYR A 62 0.700 -6.891 6.025 1.00 1.23 H new ATOM 0 HE1 TYR A 62 -3.850 -5.042 6.270 1.00 1.38 H new ATOM 0 HE2 TYR A 62 -1.172 -8.326 6.707 1.00 1.35 H new ATOM 0 HH TYR A 62 -3.336 -8.479 7.095 1.00 1.10 H new ATOM 1011 N LEU A 63 2.360 -2.520 3.421 1.00 0.33 N ATOM 1012 CA LEU A 63 3.573 -1.773 3.131 1.00 0.34 C ATOM 1013 C LEU A 63 3.237 -0.379 2.617 1.00 0.32 C ATOM 1014 O LEU A 63 3.841 0.609 3.034 1.00 0.35 O ATOM 1015 CB LEU A 63 4.430 -2.514 2.104 1.00 0.36 C ATOM 1016 CG LEU A 63 5.811 -1.900 1.857 1.00 0.52 C ATOM 1017 CD1 LEU A 63 6.796 -2.339 2.927 1.00 1.21 C ATOM 1018 CD2 LEU A 63 6.322 -2.266 0.476 1.00 1.45 C ATOM 0 H LEU A 63 2.231 -3.353 2.847 1.00 0.33 H new ATOM 0 HA LEU A 63 4.139 -1.678 4.058 1.00 0.34 H new ATOM 0 HB2 LEU A 63 4.560 -3.544 2.436 1.00 0.36 H new ATOM 0 HB3 LEU A 63 3.889 -2.549 1.158 1.00 0.36 H new ATOM 0 HG LEU A 63 5.714 -0.816 1.909 1.00 0.52 H new ATOM 0 HD11 LEU A 63 7.770 -1.891 2.731 1.00 1.21 H new ATOM 0 HD12 LEU A 63 6.438 -2.017 3.905 1.00 1.21 H new ATOM 0 HD13 LEU A 63 6.887 -3.425 2.914 1.00 1.21 H new ATOM 0 HD21 LEU A 63 7.304 -1.820 0.321 1.00 1.45 H new ATOM 0 HD22 LEU A 63 6.399 -3.350 0.392 1.00 1.45 H new ATOM 0 HD23 LEU A 63 5.630 -1.892 -0.279 1.00 1.45 H new ATOM 1030 N MET A 64 2.260 -0.309 1.717 1.00 0.31 N ATOM 1031 CA MET A 64 1.836 0.965 1.142 1.00 0.34 C ATOM 1032 C MET A 64 1.346 1.904 2.236 1.00 0.32 C ATOM 1033 O MET A 64 1.773 3.053 2.311 1.00 0.33 O ATOM 1034 CB MET A 64 0.734 0.747 0.099 1.00 0.38 C ATOM 1035 CG MET A 64 0.511 1.937 -0.831 1.00 0.61 C ATOM 1036 SD MET A 64 -0.577 3.196 -0.132 1.00 0.47 S ATOM 1037 CE MET A 64 -2.110 2.285 0.034 1.00 0.50 C ATOM 0 H MET A 64 1.747 -1.119 1.370 1.00 0.31 H new ATOM 0 HA MET A 64 2.695 1.420 0.648 1.00 0.34 H new ATOM 0 HB2 MET A 64 0.985 -0.127 -0.501 1.00 0.38 H new ATOM 0 HB3 MET A 64 -0.200 0.523 0.614 1.00 0.38 H new ATOM 0 HG2 MET A 64 1.474 2.390 -1.068 1.00 0.61 H new ATOM 0 HG3 MET A 64 0.087 1.581 -1.770 1.00 0.61 H new ATOM 0 HE1 MET A 64 -2.951 2.976 -0.018 1.00 0.50 H new ATOM 0 HE2 MET A 64 -2.189 1.556 -0.772 1.00 0.50 H new ATOM 0 HE3 MET A 64 -2.124 1.768 0.993 1.00 0.50 H new ATOM 1047 N ASN A 65 0.462 1.401 3.090 1.00 0.34 N ATOM 1048 CA ASN A 65 -0.081 2.196 4.188 1.00 0.36 C ATOM 1049 C ASN A 65 1.041 2.677 5.098 1.00 0.35 C ATOM 1050 O ASN A 65 1.074 3.834 5.505 1.00 0.41 O ATOM 1051 CB ASN A 65 -1.092 1.374 5.000 1.00 0.42 C ATOM 1052 CG ASN A 65 -1.632 2.128 6.209 1.00 1.06 C ATOM 1053 OD1 ASN A 65 -2.563 2.922 6.091 1.00 1.56 O ATOM 1054 ND2 ASN A 65 -1.067 1.867 7.381 1.00 1.69 N ATOM 0 H ASN A 65 0.105 0.446 3.044 1.00 0.34 H new ATOM 0 HA ASN A 65 -0.591 3.061 3.764 1.00 0.36 H new ATOM 0 HB2 ASN A 65 -1.923 1.089 4.355 1.00 0.42 H new ATOM 0 HB3 ASN A 65 -0.618 0.452 5.335 1.00 0.42 H new ATOM 0 HD21 ASN A 65 -1.404 2.332 8.224 1.00 1.69 H new ATOM 0 HD22 ASN A 65 -0.296 1.202 7.439 1.00 1.69 H new ATOM 1061 N HIS A 66 1.977 1.781 5.380 1.00 0.34 N ATOM 1062 CA HIS A 66 3.108 2.083 6.249 1.00 0.37 C ATOM 1063 C HIS A 66 3.988 3.202 5.682 1.00 0.36 C ATOM 1064 O HIS A 66 4.229 4.208 6.353 1.00 0.40 O ATOM 1065 CB HIS A 66 3.943 0.816 6.452 1.00 0.44 C ATOM 1066 CG HIS A 66 4.811 0.845 7.671 1.00 0.61 C ATOM 1067 ND1 HIS A 66 5.870 1.711 7.781 1.00 1.54 N ATOM 1068 CD2 HIS A 66 4.747 0.084 8.788 1.00 1.09 C ATOM 1069 CE1 HIS A 66 6.420 1.465 8.956 1.00 1.46 C ATOM 1070 NE2 HIS A 66 5.776 0.485 9.600 1.00 1.04 N ATOM 0 H HIS A 66 1.975 0.828 5.015 1.00 0.34 H new ATOM 0 HA HIS A 66 2.714 2.432 7.204 1.00 0.37 H new ATOM 0 HB2 HIS A 66 3.273 -0.041 6.517 1.00 0.44 H new ATOM 0 HB3 HIS A 66 4.572 0.664 5.575 1.00 0.44 H new ATOM 0 HD1 HIS A 66 6.171 2.403 7.095 1.00 1.54 H new ATOM 0 HD2 HIS A 66 4.024 -0.690 8.999 1.00 1.09 H new ATOM 0 HE1 HIS A 66 7.280 1.988 9.347 1.00 1.46 H new ATOM 1078 N VAL A 67 4.439 3.040 4.440 1.00 0.35 N ATOM 1079 CA VAL A 67 5.323 4.025 3.817 1.00 0.39 C ATOM 1080 C VAL A 67 4.672 5.403 3.674 1.00 0.39 C ATOM 1081 O VAL A 67 5.339 6.418 3.858 1.00 0.48 O ATOM 1082 CB VAL A 67 5.857 3.562 2.440 1.00 0.42 C ATOM 1083 CG1 VAL A 67 6.697 2.302 2.585 1.00 1.16 C ATOM 1084 CG2 VAL A 67 4.728 3.343 1.442 1.00 1.40 C ATOM 0 H VAL A 67 4.209 2.242 3.848 1.00 0.35 H new ATOM 0 HA VAL A 67 6.166 4.114 4.503 1.00 0.39 H new ATOM 0 HB VAL A 67 6.490 4.359 2.050 1.00 0.42 H new ATOM 0 HG11 VAL A 67 7.062 1.994 1.605 1.00 1.16 H new ATOM 0 HG12 VAL A 67 7.544 2.503 3.242 1.00 1.16 H new ATOM 0 HG13 VAL A 67 6.088 1.506 3.012 1.00 1.16 H new ATOM 0 HG21 VAL A 67 5.144 3.019 0.488 1.00 1.40 H new ATOM 0 HG22 VAL A 67 4.050 2.578 1.821 1.00 1.40 H new ATOM 0 HG23 VAL A 67 4.181 4.275 1.301 1.00 1.40 H new ATOM 1094 N VAL A 68 3.378 5.453 3.366 1.00 0.34 N ATOM 1095 CA VAL A 68 2.705 6.741 3.209 1.00 0.37 C ATOM 1096 C VAL A 68 2.356 7.357 4.562 1.00 0.39 C ATOM 1097 O VAL A 68 2.271 8.582 4.688 1.00 0.43 O ATOM 1098 CB VAL A 68 1.436 6.647 2.331 1.00 0.38 C ATOM 1099 CG1 VAL A 68 1.791 6.145 0.940 1.00 0.41 C ATOM 1100 CG2 VAL A 68 0.381 5.757 2.972 1.00 0.37 C ATOM 0 H VAL A 68 2.785 4.636 3.223 1.00 0.34 H new ATOM 0 HA VAL A 68 3.415 7.390 2.696 1.00 0.37 H new ATOM 0 HB VAL A 68 1.013 7.648 2.244 1.00 0.38 H new ATOM 0 HG11 VAL A 68 0.887 6.084 0.334 1.00 0.41 H new ATOM 0 HG12 VAL A 68 2.495 6.834 0.473 1.00 0.41 H new ATOM 0 HG13 VAL A 68 2.245 5.157 1.015 1.00 0.41 H new ATOM 0 HG21 VAL A 68 -0.498 5.713 2.329 1.00 0.37 H new ATOM 0 HG22 VAL A 68 0.784 4.753 3.105 1.00 0.37 H new ATOM 0 HG23 VAL A 68 0.100 6.167 3.942 1.00 0.37 H new ATOM 1110 N GLN A 69 2.171 6.511 5.568 1.00 0.39 N ATOM 1111 CA GLN A 69 1.849 6.975 6.911 1.00 0.45 C ATOM 1112 C GLN A 69 3.076 7.619 7.544 1.00 0.45 C ATOM 1113 O GLN A 69 3.013 8.740 8.054 1.00 0.50 O ATOM 1114 CB GLN A 69 1.360 5.802 7.767 1.00 0.52 C ATOM 1115 CG GLN A 69 0.760 6.212 9.100 1.00 0.82 C ATOM 1116 CD GLN A 69 0.039 5.062 9.784 1.00 1.26 C ATOM 1117 OE1 GLN A 69 -0.532 4.194 9.131 1.00 1.83 O ATOM 1118 NE2 GLN A 69 0.065 5.044 11.106 1.00 2.02 N ATOM 0 H GLN A 69 2.239 5.497 5.478 1.00 0.39 H new ATOM 0 HA GLN A 69 1.054 7.718 6.852 1.00 0.45 H new ATOM 0 HB2 GLN A 69 0.615 5.241 7.203 1.00 0.52 H new ATOM 0 HB3 GLN A 69 2.196 5.127 7.950 1.00 0.52 H new ATOM 0 HG2 GLN A 69 1.550 6.583 9.753 1.00 0.82 H new ATOM 0 HG3 GLN A 69 0.062 7.035 8.945 1.00 0.82 H new ATOM 0 HE21 GLN A 69 0.549 5.782 11.617 1.00 2.02 H new ATOM 0 HE22 GLN A 69 -0.399 4.292 11.615 1.00 2.02 H new ATOM 1127 N GLN A 70 4.200 6.917 7.470 1.00 0.44 N ATOM 1128 CA GLN A 70 5.450 7.408 8.034 1.00 0.49 C ATOM 1129 C GLN A 70 5.997 8.567 7.202 1.00 0.46 C ATOM 1130 O GLN A 70 6.803 9.367 7.683 1.00 0.49 O ATOM 1131 CB GLN A 70 6.483 6.282 8.108 1.00 0.58 C ATOM 1132 CG GLN A 70 6.026 5.083 8.927 1.00 0.78 C ATOM 1133 CD GLN A 70 5.756 5.426 10.377 1.00 1.39 C ATOM 1134 OE1 GLN A 70 4.625 5.724 10.761 1.00 2.10 O ATOM 1135 NE2 GLN A 70 6.796 5.390 11.195 1.00 2.02 N ATOM 0 H GLN A 70 4.271 6.003 7.023 1.00 0.44 H new ATOM 0 HA GLN A 70 5.250 7.767 9.043 1.00 0.49 H new ATOM 0 HB2 GLN A 70 6.719 5.951 7.097 1.00 0.58 H new ATOM 0 HB3 GLN A 70 7.404 6.674 8.538 1.00 0.58 H new ATOM 0 HG2 GLN A 70 5.121 4.670 8.482 1.00 0.78 H new ATOM 0 HG3 GLN A 70 6.788 4.305 8.879 1.00 0.78 H new ATOM 0 HE21 GLN A 70 7.718 5.138 10.838 1.00 2.02 H new ATOM 0 HE22 GLN A 70 6.676 5.614 12.183 1.00 2.02 H new ATOM 1144 N ALA A 71 5.539 8.659 5.955 1.00 0.46 N ATOM 1145 CA ALA A 71 5.974 9.718 5.049 1.00 0.47 C ATOM 1146 C ALA A 71 5.547 11.088 5.558 1.00 0.46 C ATOM 1147 O ALA A 71 6.133 12.102 5.184 1.00 0.48 O ATOM 1148 CB ALA A 71 5.431 9.492 3.647 1.00 0.51 C ATOM 0 H ALA A 71 4.865 8.010 5.549 1.00 0.46 H new ATOM 0 HA ALA A 71 7.063 9.688 5.011 1.00 0.47 H new ATOM 0 HB1 ALA A 71 5.770 10.295 2.992 1.00 0.51 H new ATOM 0 HB2 ALA A 71 5.792 8.536 3.267 1.00 0.51 H new ATOM 0 HB3 ALA A 71 4.341 9.483 3.676 1.00 0.51 H new ATOM 1154 N LYS A 72 4.531 11.114 6.416 1.00 0.49 N ATOM 1155 CA LYS A 72 4.045 12.366 6.978 1.00 0.55 C ATOM 1156 C LYS A 72 5.068 12.942 7.948 1.00 0.54 C ATOM 1157 O LYS A 72 5.182 14.159 8.094 1.00 0.59 O ATOM 1158 CB LYS A 72 2.704 12.168 7.690 1.00 0.66 C ATOM 1159 CG LYS A 72 1.497 12.281 6.772 1.00 0.84 C ATOM 1160 CD LYS A 72 1.456 13.631 6.067 1.00 1.07 C ATOM 1161 CE LYS A 72 0.197 14.409 6.409 1.00 1.60 C ATOM 1162 NZ LYS A 72 0.354 15.205 7.656 1.00 2.09 N ATOM 0 H LYS A 72 4.031 10.284 6.735 1.00 0.49 H new ATOM 0 HA LYS A 72 3.896 13.067 6.157 1.00 0.55 H new ATOM 0 HB2 LYS A 72 2.697 11.187 8.164 1.00 0.66 H new ATOM 0 HB3 LYS A 72 2.614 12.907 8.486 1.00 0.66 H new ATOM 0 HG2 LYS A 72 1.527 11.483 6.030 1.00 0.84 H new ATOM 0 HG3 LYS A 72 0.584 12.144 7.351 1.00 0.84 H new ATOM 0 HD2 LYS A 72 2.332 14.215 6.349 1.00 1.07 H new ATOM 0 HD3 LYS A 72 1.508 13.480 4.989 1.00 1.07 H new ATOM 0 HE2 LYS A 72 -0.053 15.075 5.583 1.00 1.60 H new ATOM 0 HE3 LYS A 72 -0.637 13.717 6.524 1.00 1.60 H new ATOM 0 HZ1 LYS A 72 -0.528 15.720 7.852 1.00 2.09 H new ATOM 0 HZ2 LYS A 72 0.567 14.568 8.450 1.00 2.09 H new ATOM 0 HZ3 LYS A 72 1.133 15.884 7.539 1.00 2.09 H new ATOM 1176 N GLY A 73 5.809 12.061 8.609 1.00 0.54 N ATOM 1177 CA GLY A 73 6.820 12.503 9.546 1.00 0.59 C ATOM 1178 C GLY A 73 8.046 13.019 8.826 1.00 0.56 C ATOM 1179 O GLY A 73 8.627 14.034 9.209 1.00 0.66 O ATOM 0 H GLY A 73 5.727 11.049 8.512 1.00 0.54 H new ATOM 0 HA2 GLY A 73 6.411 13.288 10.182 1.00 0.59 H new ATOM 0 HA3 GLY A 73 7.100 11.677 10.199 1.00 0.59 H new ATOM 1183 N GLN A 74 8.426 12.321 7.764 1.00 0.52 N ATOM 1184 CA GLN A 74 9.583 12.705 6.971 1.00 0.55 C ATOM 1185 C GLN A 74 9.227 13.842 6.021 1.00 0.51 C ATOM 1186 O GLN A 74 10.111 14.460 5.434 1.00 0.56 O ATOM 1187 CB GLN A 74 10.115 11.510 6.177 1.00 0.62 C ATOM 1188 CG GLN A 74 10.805 10.460 7.031 1.00 0.80 C ATOM 1189 CD GLN A 74 11.838 9.671 6.251 1.00 0.94 C ATOM 1190 OE1 GLN A 74 12.435 10.177 5.300 1.00 1.62 O ATOM 1191 NE2 GLN A 74 12.068 8.432 6.655 1.00 1.42 N ATOM 0 H GLN A 74 7.947 11.484 7.432 1.00 0.52 H new ATOM 0 HA GLN A 74 10.362 13.046 7.653 1.00 0.55 H new ATOM 0 HB2 GLN A 74 9.287 11.043 5.644 1.00 0.62 H new ATOM 0 HB3 GLN A 74 10.816 11.870 5.424 1.00 0.62 H new ATOM 0 HG2 GLN A 74 11.287 10.945 7.880 1.00 0.80 H new ATOM 0 HG3 GLN A 74 10.059 9.776 7.436 1.00 0.80 H new ATOM 0 HE21 GLN A 74 11.552 8.050 7.447 1.00 1.42 H new ATOM 0 HE22 GLN A 74 12.761 7.859 6.174 1.00 1.42 H new ATOM 1200 N LYS A 75 7.926 14.101 5.881 1.00 0.47 N ATOM 1201 CA LYS A 75 7.416 15.162 5.011 1.00 0.50 C ATOM 1202 C LYS A 75 7.724 14.861 3.545 1.00 0.47 C ATOM 1203 O LYS A 75 7.958 15.769 2.745 1.00 0.54 O ATOM 1204 CB LYS A 75 7.991 16.527 5.404 1.00 0.62 C ATOM 1205 CG LYS A 75 7.522 17.021 6.763 1.00 0.77 C ATOM 1206 CD LYS A 75 7.901 18.475 6.988 1.00 1.33 C ATOM 1207 CE LYS A 75 7.448 18.963 8.353 1.00 1.99 C ATOM 1208 NZ LYS A 75 8.481 18.746 9.398 1.00 2.70 N ATOM 0 H LYS A 75 7.196 13.581 6.368 1.00 0.47 H new ATOM 0 HA LYS A 75 6.334 15.198 5.138 1.00 0.50 H new ATOM 0 HB2 LYS A 75 9.079 16.466 5.406 1.00 0.62 H new ATOM 0 HB3 LYS A 75 7.714 17.260 4.646 1.00 0.62 H new ATOM 0 HG2 LYS A 75 6.440 16.910 6.838 1.00 0.77 H new ATOM 0 HG3 LYS A 75 7.961 16.404 7.547 1.00 0.77 H new ATOM 0 HD2 LYS A 75 8.982 18.588 6.900 1.00 1.33 H new ATOM 0 HD3 LYS A 75 7.451 19.094 6.211 1.00 1.33 H new ATOM 0 HE2 LYS A 75 7.209 20.025 8.296 1.00 1.99 H new ATOM 0 HE3 LYS A 75 6.532 18.445 8.637 1.00 1.99 H new ATOM 0 HZ1 LYS A 75 8.128 19.094 10.312 1.00 2.70 H new ATOM 0 HZ2 LYS A 75 8.692 17.730 9.472 1.00 2.70 H new ATOM 0 HZ3 LYS A 75 9.347 19.262 9.142 1.00 2.70 H new ATOM 1222 N ILE A 76 7.705 13.582 3.197 1.00 0.42 N ATOM 1223 CA ILE A 76 7.982 13.159 1.832 1.00 0.42 C ATOM 1224 C ILE A 76 6.684 13.039 1.043 1.00 0.38 C ATOM 1225 O ILE A 76 6.090 11.962 0.950 1.00 0.40 O ATOM 1226 CB ILE A 76 8.740 11.812 1.781 1.00 0.46 C ATOM 1227 CG1 ILE A 76 9.973 11.857 2.690 1.00 0.55 C ATOM 1228 CG2 ILE A 76 9.147 11.484 0.350 1.00 0.49 C ATOM 1229 CD1 ILE A 76 11.040 12.835 2.238 1.00 0.63 C ATOM 0 H ILE A 76 7.500 12.819 3.842 1.00 0.42 H new ATOM 0 HA ILE A 76 8.620 13.921 1.385 1.00 0.42 H new ATOM 0 HB ILE A 76 8.074 11.027 2.140 1.00 0.46 H new ATOM 0 HG12 ILE A 76 9.658 12.121 3.699 1.00 0.55 H new ATOM 0 HG13 ILE A 76 10.409 10.859 2.743 1.00 0.55 H new ATOM 0 HG21 ILE A 76 9.679 10.533 0.332 1.00 0.49 H new ATOM 0 HG22 ILE A 76 8.256 11.413 -0.274 1.00 0.49 H new ATOM 0 HG23 ILE A 76 9.797 12.271 -0.033 1.00 0.49 H new ATOM 0 HD11 ILE A 76 11.878 12.806 2.934 1.00 0.63 H new ATOM 0 HD12 ILE A 76 11.386 12.561 1.242 1.00 0.63 H new ATOM 0 HD13 ILE A 76 10.623 13.842 2.213 1.00 0.63 H new ATOM 1241 N ILE A 77 6.243 14.157 0.487 1.00 0.40 N ATOM 1242 CA ILE A 77 5.013 14.194 -0.292 1.00 0.42 C ATOM 1243 C ILE A 77 5.181 13.453 -1.614 1.00 0.39 C ATOM 1244 O ILE A 77 4.209 12.966 -2.188 1.00 0.40 O ATOM 1245 CB ILE A 77 4.564 15.641 -0.576 1.00 0.52 C ATOM 1246 CG1 ILE A 77 5.724 16.450 -1.168 1.00 0.59 C ATOM 1247 CG2 ILE A 77 4.045 16.290 0.699 1.00 0.57 C ATOM 1248 CD1 ILE A 77 5.298 17.759 -1.791 1.00 0.86 C ATOM 0 H ILE A 77 6.721 15.055 0.561 1.00 0.40 H new ATOM 0 HA ILE A 77 4.246 13.700 0.305 1.00 0.42 H new ATOM 0 HB ILE A 77 3.754 15.623 -1.305 1.00 0.52 H new ATOM 0 HG12 ILE A 77 6.452 16.652 -0.382 1.00 0.59 H new ATOM 0 HG13 ILE A 77 6.228 15.846 -1.922 1.00 0.59 H new ATOM 0 HG21 ILE A 77 3.731 17.312 0.485 1.00 0.57 H new ATOM 0 HG22 ILE A 77 3.196 15.721 1.077 1.00 0.57 H new ATOM 0 HG23 ILE A 77 4.836 16.303 1.449 1.00 0.57 H new ATOM 0 HD11 ILE A 77 6.172 18.275 -2.188 1.00 0.86 H new ATOM 0 HD12 ILE A 77 4.593 17.565 -2.599 1.00 0.86 H new ATOM 0 HD13 ILE A 77 4.821 18.383 -1.036 1.00 0.86 H new ATOM 1260 N GLN A 78 6.424 13.363 -2.081 1.00 0.41 N ATOM 1261 CA GLN A 78 6.737 12.686 -3.337 1.00 0.43 C ATOM 1262 C GLN A 78 6.310 11.222 -3.282 1.00 0.36 C ATOM 1263 O GLN A 78 5.860 10.660 -4.281 1.00 0.36 O ATOM 1264 CB GLN A 78 8.235 12.781 -3.645 1.00 0.52 C ATOM 1265 CG GLN A 78 8.799 14.187 -3.508 1.00 0.81 C ATOM 1266 CD GLN A 78 9.393 14.440 -2.137 1.00 1.36 C ATOM 1267 OE1 GLN A 78 8.680 14.784 -1.195 1.00 2.22 O ATOM 1268 NE2 GLN A 78 10.699 14.278 -2.015 1.00 1.73 N ATOM 0 H GLN A 78 7.237 13.754 -1.604 1.00 0.41 H new ATOM 0 HA GLN A 78 6.183 13.183 -4.133 1.00 0.43 H new ATOM 0 HB2 GLN A 78 8.778 12.114 -2.975 1.00 0.52 H new ATOM 0 HB3 GLN A 78 8.412 12.425 -4.660 1.00 0.52 H new ATOM 0 HG2 GLN A 78 9.565 14.344 -4.267 1.00 0.81 H new ATOM 0 HG3 GLN A 78 8.008 14.913 -3.698 1.00 0.81 H new ATOM 0 HE21 GLN A 78 11.255 13.992 -2.821 1.00 1.73 H new ATOM 0 HE22 GLN A 78 11.151 14.439 -1.115 1.00 1.73 H new ATOM 1277 N PHE A 79 6.443 10.614 -2.106 1.00 0.36 N ATOM 1278 CA PHE A 79 6.063 9.220 -1.923 1.00 0.36 C ATOM 1279 C PHE A 79 4.553 9.071 -1.993 1.00 0.33 C ATOM 1280 O PHE A 79 4.032 8.227 -2.723 1.00 0.36 O ATOM 1281 CB PHE A 79 6.571 8.692 -0.580 1.00 0.42 C ATOM 1282 CG PHE A 79 7.707 7.723 -0.713 1.00 0.40 C ATOM 1283 CD1 PHE A 79 7.629 6.658 -1.596 1.00 1.24 C ATOM 1284 CD2 PHE A 79 8.855 7.875 0.046 1.00 1.29 C ATOM 1285 CE1 PHE A 79 8.673 5.765 -1.720 1.00 1.30 C ATOM 1286 CE2 PHE A 79 9.902 6.984 -0.075 1.00 1.34 C ATOM 1287 CZ PHE A 79 9.811 5.927 -0.958 1.00 0.64 C ATOM 0 H PHE A 79 6.810 11.065 -1.268 1.00 0.36 H new ATOM 0 HA PHE A 79 6.518 8.637 -2.724 1.00 0.36 H new ATOM 0 HB2 PHE A 79 6.891 9.533 0.035 1.00 0.42 H new ATOM 0 HB3 PHE A 79 5.749 8.207 -0.054 1.00 0.42 H new ATOM 0 HD1 PHE A 79 6.740 6.525 -2.195 1.00 1.24 H new ATOM 0 HD2 PHE A 79 8.932 8.699 0.740 1.00 1.29 H new ATOM 0 HE1 PHE A 79 8.599 4.940 -2.413 1.00 1.30 H new ATOM 0 HE2 PHE A 79 10.793 7.114 0.521 1.00 1.34 H new ATOM 0 HZ PHE A 79 10.629 5.228 -1.052 1.00 0.64 H new ATOM 1297 N GLN A 80 3.861 9.918 -1.244 1.00 0.33 N ATOM 1298 CA GLN A 80 2.407 9.895 -1.194 1.00 0.38 C ATOM 1299 C GLN A 80 1.808 10.218 -2.557 1.00 0.33 C ATOM 1300 O GLN A 80 0.781 9.666 -2.935 1.00 0.39 O ATOM 1301 CB GLN A 80 1.906 10.882 -0.141 1.00 0.48 C ATOM 1302 CG GLN A 80 2.417 10.574 1.255 1.00 0.60 C ATOM 1303 CD GLN A 80 2.056 11.646 2.262 1.00 0.75 C ATOM 1304 OE1 GLN A 80 1.977 12.829 1.933 1.00 1.30 O ATOM 1305 NE2 GLN A 80 1.840 11.238 3.500 1.00 1.11 N ATOM 0 H GLN A 80 4.288 10.635 -0.658 1.00 0.33 H new ATOM 0 HA GLN A 80 2.087 8.890 -0.918 1.00 0.38 H new ATOM 0 HB2 GLN A 80 2.214 11.890 -0.420 1.00 0.48 H new ATOM 0 HB3 GLN A 80 0.816 10.873 -0.133 1.00 0.48 H new ATOM 0 HG2 GLN A 80 2.007 9.619 1.585 1.00 0.60 H new ATOM 0 HG3 GLN A 80 3.501 10.462 1.224 1.00 0.60 H new ATOM 0 HE21 GLN A 80 1.916 10.247 3.731 1.00 1.11 H new ATOM 0 HE22 GLN A 80 1.597 11.914 4.225 1.00 1.11 H new ATOM 1314 N ASP A 81 2.456 11.110 -3.292 1.00 0.33 N ATOM 1315 CA ASP A 81 1.991 11.491 -4.622 1.00 0.35 C ATOM 1316 C ASP A 81 2.103 10.315 -5.585 1.00 0.32 C ATOM 1317 O ASP A 81 1.137 9.947 -6.254 1.00 0.37 O ATOM 1318 CB ASP A 81 2.810 12.672 -5.153 1.00 0.41 C ATOM 1319 CG ASP A 81 2.359 13.130 -6.527 1.00 0.52 C ATOM 1320 OD1 ASP A 81 2.883 12.618 -7.538 1.00 1.16 O ATOM 1321 OD2 ASP A 81 1.491 14.027 -6.604 1.00 1.32 O ATOM 0 H ASP A 81 3.307 11.585 -2.991 1.00 0.33 H new ATOM 0 HA ASP A 81 0.945 11.787 -4.546 1.00 0.35 H new ATOM 0 HB2 ASP A 81 2.733 13.505 -4.454 1.00 0.41 H new ATOM 0 HB3 ASP A 81 3.862 12.389 -5.197 1.00 0.41 H new ATOM 1326 N SER A 82 3.286 9.715 -5.617 1.00 0.31 N ATOM 1327 CA SER A 82 3.562 8.589 -6.498 1.00 0.32 C ATOM 1328 C SER A 82 2.690 7.377 -6.163 1.00 0.29 C ATOM 1329 O SER A 82 2.169 6.715 -7.060 1.00 0.30 O ATOM 1330 CB SER A 82 5.043 8.215 -6.411 1.00 0.36 C ATOM 1331 OG SER A 82 5.871 9.349 -6.633 1.00 0.94 O ATOM 0 H SER A 82 4.077 9.994 -5.036 1.00 0.31 H new ATOM 0 HA SER A 82 3.321 8.893 -7.516 1.00 0.32 H new ATOM 0 HB2 SER A 82 5.257 7.791 -5.430 1.00 0.36 H new ATOM 0 HB3 SER A 82 5.271 7.445 -7.148 1.00 0.36 H new ATOM 0 HG SER A 82 5.905 9.894 -5.819 1.00 0.94 H new ATOM 1337 N PHE A 83 2.524 7.091 -4.879 1.00 0.27 N ATOM 1338 CA PHE A 83 1.715 5.953 -4.463 1.00 0.26 C ATOM 1339 C PHE A 83 0.225 6.268 -4.555 1.00 0.26 C ATOM 1340 O PHE A 83 -0.573 5.406 -4.900 1.00 0.30 O ATOM 1341 CB PHE A 83 2.071 5.523 -3.037 1.00 0.27 C ATOM 1342 CG PHE A 83 3.175 4.508 -2.974 1.00 0.28 C ATOM 1343 CD1 PHE A 83 2.953 3.201 -3.375 1.00 1.21 C ATOM 1344 CD2 PHE A 83 4.434 4.861 -2.516 1.00 1.21 C ATOM 1345 CE1 PHE A 83 3.967 2.265 -3.319 1.00 1.22 C ATOM 1346 CE2 PHE A 83 5.452 3.930 -2.460 1.00 1.23 C ATOM 1347 CZ PHE A 83 5.219 2.628 -2.861 1.00 0.37 C ATOM 0 H PHE A 83 2.934 7.626 -4.113 1.00 0.27 H new ATOM 0 HA PHE A 83 1.935 5.131 -5.144 1.00 0.26 H new ATOM 0 HB2 PHE A 83 2.364 6.402 -2.464 1.00 0.27 H new ATOM 0 HB3 PHE A 83 1.183 5.112 -2.558 1.00 0.27 H new ATOM 0 HD1 PHE A 83 1.977 2.911 -3.735 1.00 1.21 H new ATOM 0 HD2 PHE A 83 4.621 5.876 -2.199 1.00 1.21 H new ATOM 0 HE1 PHE A 83 3.781 1.249 -3.633 1.00 1.22 H new ATOM 0 HE2 PHE A 83 6.430 4.219 -2.103 1.00 1.23 H new ATOM 0 HZ PHE A 83 6.013 1.897 -2.817 1.00 0.37 H new ATOM 1357 N GLY A 84 -0.136 7.510 -4.269 1.00 0.27 N ATOM 1358 CA GLY A 84 -1.530 7.919 -4.299 1.00 0.30 C ATOM 1359 C GLY A 84 -2.185 7.767 -5.660 1.00 0.30 C ATOM 1360 O GLY A 84 -3.330 7.322 -5.749 1.00 0.34 O ATOM 0 H GLY A 84 0.517 8.251 -4.014 1.00 0.27 H new ATOM 0 HA2 GLY A 84 -2.087 7.330 -3.570 1.00 0.30 H new ATOM 0 HA3 GLY A 84 -1.600 8.961 -3.987 1.00 0.30 H new ATOM 1364 N LYS A 85 -1.464 8.112 -6.722 1.00 0.31 N ATOM 1365 CA LYS A 85 -2.015 8.027 -8.078 1.00 0.36 C ATOM 1366 C LYS A 85 -2.297 6.583 -8.499 1.00 0.34 C ATOM 1367 O LYS A 85 -3.143 6.339 -9.357 1.00 0.43 O ATOM 1368 CB LYS A 85 -1.087 8.711 -9.089 1.00 0.42 C ATOM 1369 CG LYS A 85 0.310 8.113 -9.161 1.00 0.48 C ATOM 1370 CD LYS A 85 1.263 9.006 -9.940 1.00 0.62 C ATOM 1371 CE LYS A 85 1.388 10.377 -9.294 1.00 0.96 C ATOM 1372 NZ LYS A 85 2.568 11.130 -9.791 1.00 1.31 N ATOM 0 H LYS A 85 -0.503 8.451 -6.675 1.00 0.31 H new ATOM 0 HA LYS A 85 -2.969 8.553 -8.067 1.00 0.36 H new ATOM 0 HB2 LYS A 85 -1.544 8.658 -10.077 1.00 0.42 H new ATOM 0 HB3 LYS A 85 -1.005 9.767 -8.832 1.00 0.42 H new ATOM 0 HG2 LYS A 85 0.694 7.963 -8.152 1.00 0.48 H new ATOM 0 HG3 LYS A 85 0.262 7.132 -9.633 1.00 0.48 H new ATOM 0 HD2 LYS A 85 2.245 8.535 -9.992 1.00 0.62 H new ATOM 0 HD3 LYS A 85 0.907 9.115 -10.964 1.00 0.62 H new ATOM 0 HE2 LYS A 85 0.484 10.953 -9.491 1.00 0.96 H new ATOM 0 HE3 LYS A 85 1.463 10.261 -8.213 1.00 0.96 H new ATOM 0 HZ1 LYS A 85 2.885 11.800 -9.061 1.00 1.31 H new ATOM 0 HZ2 LYS A 85 3.338 10.465 -10.009 1.00 1.31 H new ATOM 0 HZ3 LYS A 85 2.309 11.653 -10.652 1.00 1.31 H new ATOM 1386 N VAL A 86 -1.603 5.628 -7.891 1.00 0.28 N ATOM 1387 CA VAL A 86 -1.812 4.222 -8.223 1.00 0.29 C ATOM 1388 C VAL A 86 -2.603 3.511 -7.125 1.00 0.27 C ATOM 1389 O VAL A 86 -3.131 2.418 -7.337 1.00 0.28 O ATOM 1390 CB VAL A 86 -0.482 3.471 -8.472 1.00 0.31 C ATOM 1391 CG1 VAL A 86 0.223 4.033 -9.697 1.00 0.38 C ATOM 1392 CG2 VAL A 86 0.428 3.533 -7.251 1.00 0.31 C ATOM 0 H VAL A 86 -0.898 5.797 -7.173 1.00 0.28 H new ATOM 0 HA VAL A 86 -2.385 4.207 -9.150 1.00 0.29 H new ATOM 0 HB VAL A 86 -0.718 2.423 -8.655 1.00 0.31 H new ATOM 0 HG11 VAL A 86 1.157 3.494 -9.859 1.00 0.38 H new ATOM 0 HG12 VAL A 86 -0.418 3.918 -10.571 1.00 0.38 H new ATOM 0 HG13 VAL A 86 0.437 5.090 -9.541 1.00 0.38 H new ATOM 0 HG21 VAL A 86 1.353 2.996 -7.459 1.00 0.31 H new ATOM 0 HG22 VAL A 86 0.656 4.573 -7.020 1.00 0.31 H new ATOM 0 HG23 VAL A 86 -0.074 3.074 -6.399 1.00 0.31 H new ATOM 1402 N ALA A 87 -2.693 4.148 -5.959 1.00 0.29 N ATOM 1403 CA ALA A 87 -3.411 3.587 -4.819 1.00 0.30 C ATOM 1404 C ALA A 87 -4.884 3.391 -5.139 1.00 0.28 C ATOM 1405 O ALA A 87 -5.429 2.312 -4.922 1.00 0.28 O ATOM 1406 CB ALA A 87 -3.252 4.480 -3.598 1.00 0.38 C ATOM 0 H ALA A 87 -2.273 5.060 -5.780 1.00 0.29 H new ATOM 0 HA ALA A 87 -2.979 2.610 -4.600 1.00 0.30 H new ATOM 0 HB1 ALA A 87 -3.794 4.047 -2.757 1.00 0.38 H new ATOM 0 HB2 ALA A 87 -2.195 4.564 -3.344 1.00 0.38 H new ATOM 0 HB3 ALA A 87 -3.653 5.470 -3.816 1.00 0.38 H new ATOM 1412 N ALA A 88 -5.513 4.438 -5.665 1.00 0.32 N ATOM 1413 CA ALA A 88 -6.929 4.390 -6.019 1.00 0.36 C ATOM 1414 C ALA A 88 -7.213 3.246 -6.985 1.00 0.34 C ATOM 1415 O ALA A 88 -8.203 2.531 -6.844 1.00 0.44 O ATOM 1416 CB ALA A 88 -7.363 5.714 -6.622 1.00 0.45 C ATOM 0 H ALA A 88 -5.063 5.333 -5.856 1.00 0.32 H new ATOM 0 HA ALA A 88 -7.503 4.212 -5.109 1.00 0.36 H new ATOM 0 HB1 ALA A 88 -8.420 5.666 -6.882 1.00 0.45 H new ATOM 0 HB2 ALA A 88 -7.203 6.513 -5.898 1.00 0.45 H new ATOM 0 HB3 ALA A 88 -6.778 5.914 -7.519 1.00 0.45 H new ATOM 1422 N GLU A 89 -6.320 3.071 -7.949 1.00 0.30 N ATOM 1423 CA GLU A 89 -6.449 2.015 -8.940 1.00 0.32 C ATOM 1424 C GLU A 89 -6.399 0.645 -8.269 1.00 0.29 C ATOM 1425 O GLU A 89 -7.358 -0.122 -8.327 1.00 0.32 O ATOM 1426 CB GLU A 89 -5.323 2.143 -9.971 1.00 0.39 C ATOM 1427 CG GLU A 89 -5.203 0.963 -10.924 1.00 0.55 C ATOM 1428 CD GLU A 89 -6.193 1.023 -12.068 1.00 0.88 C ATOM 1429 OE1 GLU A 89 -5.871 1.643 -13.106 1.00 1.56 O ATOM 1430 OE2 GLU A 89 -7.289 0.442 -11.945 1.00 1.56 O ATOM 0 H GLU A 89 -5.491 3.654 -8.065 1.00 0.30 H new ATOM 0 HA GLU A 89 -7.411 2.114 -9.443 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -5.483 3.050 -10.554 1.00 0.39 H new ATOM 0 HB3 GLU A 89 -4.377 2.266 -9.444 1.00 0.39 H new ATOM 0 HG2 GLU A 89 -4.191 0.931 -11.328 1.00 0.55 H new ATOM 0 HG3 GLU A 89 -5.354 0.038 -10.368 1.00 0.55 H new ATOM 1437 N VAL A 90 -5.286 0.372 -7.598 1.00 0.27 N ATOM 1438 CA VAL A 90 -5.080 -0.903 -6.924 1.00 0.28 C ATOM 1439 C VAL A 90 -6.192 -1.200 -5.916 1.00 0.27 C ATOM 1440 O VAL A 90 -6.776 -2.283 -5.940 1.00 0.30 O ATOM 1441 CB VAL A 90 -3.712 -0.931 -6.209 1.00 0.29 C ATOM 1442 CG1 VAL A 90 -3.578 -2.174 -5.346 1.00 0.34 C ATOM 1443 CG2 VAL A 90 -2.576 -0.859 -7.219 1.00 0.32 C ATOM 0 H VAL A 90 -4.506 1.023 -7.506 1.00 0.27 H new ATOM 0 HA VAL A 90 -5.101 -1.676 -7.692 1.00 0.28 H new ATOM 0 HB VAL A 90 -3.652 -0.057 -5.560 1.00 0.29 H new ATOM 0 HG11 VAL A 90 -2.606 -2.171 -4.853 1.00 0.34 H new ATOM 0 HG12 VAL A 90 -4.367 -2.182 -4.594 1.00 0.34 H new ATOM 0 HG13 VAL A 90 -3.665 -3.062 -5.972 1.00 0.34 H new ATOM 0 HG21 VAL A 90 -1.621 -0.880 -6.694 1.00 0.32 H new ATOM 0 HG22 VAL A 90 -2.637 -1.711 -7.896 1.00 0.32 H new ATOM 0 HG23 VAL A 90 -2.656 0.066 -7.791 1.00 0.32 H new ATOM 1453 N LEU A 91 -6.498 -0.227 -5.061 1.00 0.26 N ATOM 1454 CA LEU A 91 -7.528 -0.395 -4.040 1.00 0.28 C ATOM 1455 C LEU A 91 -8.882 -0.731 -4.660 1.00 0.27 C ATOM 1456 O LEU A 91 -9.624 -1.554 -4.129 1.00 0.30 O ATOM 1457 CB LEU A 91 -7.636 0.866 -3.177 1.00 0.31 C ATOM 1458 CG LEU A 91 -6.498 1.063 -2.169 1.00 0.53 C ATOM 1459 CD1 LEU A 91 -6.507 2.481 -1.618 1.00 1.45 C ATOM 1460 CD2 LEU A 91 -6.611 0.059 -1.036 1.00 0.89 C ATOM 0 H LEU A 91 -6.046 0.687 -5.055 1.00 0.26 H new ATOM 0 HA LEU A 91 -7.234 -1.233 -3.408 1.00 0.28 H new ATOM 0 HB2 LEU A 91 -7.673 1.735 -3.834 1.00 0.31 H new ATOM 0 HB3 LEU A 91 -8.581 0.836 -2.634 1.00 0.31 H new ATOM 0 HG LEU A 91 -5.553 0.900 -2.687 1.00 0.53 H new ATOM 0 HD11 LEU A 91 -5.691 2.599 -0.905 1.00 1.45 H new ATOM 0 HD12 LEU A 91 -6.379 3.190 -2.436 1.00 1.45 H new ATOM 0 HD13 LEU A 91 -7.457 2.671 -1.118 1.00 1.45 H new ATOM 0 HD21 LEU A 91 -5.795 0.214 -0.330 1.00 0.89 H new ATOM 0 HD22 LEU A 91 -7.564 0.194 -0.524 1.00 0.89 H new ATOM 0 HD23 LEU A 91 -6.555 -0.952 -1.439 1.00 0.89 H new ATOM 1472 N GLY A 92 -9.190 -0.112 -5.792 1.00 0.28 N ATOM 1473 CA GLY A 92 -10.454 -0.367 -6.455 1.00 0.31 C ATOM 1474 C GLY A 92 -10.522 -1.752 -7.076 1.00 0.33 C ATOM 1475 O GLY A 92 -11.601 -2.339 -7.184 1.00 0.41 O ATOM 0 H GLY A 92 -8.587 0.562 -6.263 1.00 0.28 H new ATOM 0 HA2 GLY A 92 -11.266 -0.256 -5.736 1.00 0.31 H new ATOM 0 HA3 GLY A 92 -10.610 0.383 -7.231 1.00 0.31 H new ATOM 1479 N ARG A 93 -9.372 -2.282 -7.470 1.00 0.31 N ATOM 1480 CA ARG A 93 -9.307 -3.596 -8.093 1.00 0.37 C ATOM 1481 C ARG A 93 -9.282 -4.705 -7.046 1.00 0.37 C ATOM 1482 O ARG A 93 -10.071 -5.649 -7.116 1.00 0.42 O ATOM 1483 CB ARG A 93 -8.067 -3.707 -8.988 1.00 0.43 C ATOM 1484 CG ARG A 93 -7.905 -2.551 -9.965 1.00 0.59 C ATOM 1485 CD ARG A 93 -8.860 -2.661 -11.143 1.00 0.95 C ATOM 1486 NE ARG A 93 -8.342 -3.545 -12.189 1.00 1.84 N ATOM 1487 CZ ARG A 93 -7.628 -3.127 -13.239 1.00 2.40 C ATOM 1488 NH1 ARG A 93 -7.315 -1.840 -13.375 1.00 2.41 N ATOM 1489 NH2 ARG A 93 -7.213 -4.003 -14.144 1.00 3.46 N ATOM 0 H ARG A 93 -8.468 -1.820 -7.368 1.00 0.31 H new ATOM 0 HA ARG A 93 -10.203 -3.715 -8.702 1.00 0.37 H new ATOM 0 HB2 ARG A 93 -7.180 -3.764 -8.357 1.00 0.43 H new ATOM 0 HB3 ARG A 93 -8.119 -4.640 -9.550 1.00 0.43 H new ATOM 0 HG2 ARG A 93 -8.079 -1.609 -9.444 1.00 0.59 H new ATOM 0 HG3 ARG A 93 -6.879 -2.528 -10.332 1.00 0.59 H new ATOM 0 HD2 ARG A 93 -9.823 -3.036 -10.795 1.00 0.95 H new ATOM 0 HD3 ARG A 93 -9.036 -1.670 -11.561 1.00 0.95 H new ATOM 0 HE ARG A 93 -8.538 -4.543 -12.112 1.00 1.84 H new ATOM 0 HH11 ARG A 93 -7.620 -1.164 -12.675 1.00 2.41 H new ATOM 0 HH12 ARG A 93 -6.770 -1.530 -14.179 1.00 2.41 H new ATOM 0 HH21 ARG A 93 -7.439 -4.992 -14.038 1.00 3.46 H new ATOM 0 HH22 ARG A 93 -6.668 -3.688 -14.947 1.00 3.46 H new ATOM 1503 N ILE A 94 -8.399 -4.576 -6.057 1.00 0.36 N ATOM 1504 CA ILE A 94 -8.265 -5.591 -5.011 1.00 0.40 C ATOM 1505 C ILE A 94 -9.515 -5.681 -4.138 1.00 0.39 C ATOM 1506 O ILE A 94 -9.742 -6.693 -3.480 1.00 0.43 O ATOM 1507 CB ILE A 94 -7.030 -5.352 -4.113 1.00 0.44 C ATOM 1508 CG1 ILE A 94 -7.120 -3.991 -3.418 1.00 0.40 C ATOM 1509 CG2 ILE A 94 -5.754 -5.458 -4.937 1.00 0.49 C ATOM 1510 CD1 ILE A 94 -5.908 -3.652 -2.575 1.00 0.50 C ATOM 0 H ILE A 94 -7.767 -3.782 -5.957 1.00 0.36 H new ATOM 0 HA ILE A 94 -8.132 -6.537 -5.536 1.00 0.40 H new ATOM 0 HB ILE A 94 -7.007 -6.121 -3.340 1.00 0.44 H new ATOM 0 HG12 ILE A 94 -7.254 -3.216 -4.173 1.00 0.40 H new ATOM 0 HG13 ILE A 94 -8.007 -3.975 -2.785 1.00 0.40 H new ATOM 0 HG21 ILE A 94 -4.890 -5.288 -4.294 1.00 0.49 H new ATOM 0 HG22 ILE A 94 -5.687 -6.452 -5.378 1.00 0.49 H new ATOM 0 HG23 ILE A 94 -5.769 -4.710 -5.729 1.00 0.49 H new ATOM 0 HD11 ILE A 94 -6.047 -2.673 -2.115 1.00 0.50 H new ATOM 0 HD12 ILE A 94 -5.785 -4.404 -1.796 1.00 0.50 H new ATOM 0 HD13 ILE A 94 -5.019 -3.634 -3.206 1.00 0.50 H new ATOM 1522 N ASN A 95 -10.324 -4.626 -4.142 1.00 0.36 N ATOM 1523 CA ASN A 95 -11.561 -4.600 -3.363 1.00 0.40 C ATOM 1524 C ASN A 95 -12.515 -5.683 -3.864 1.00 0.43 C ATOM 1525 O ASN A 95 -13.327 -6.217 -3.112 1.00 0.51 O ATOM 1526 CB ASN A 95 -12.225 -3.220 -3.476 1.00 0.43 C ATOM 1527 CG ASN A 95 -13.486 -3.085 -2.636 1.00 0.59 C ATOM 1528 OD1 ASN A 95 -13.598 -3.655 -1.553 1.00 1.00 O ATOM 1529 ND2 ASN A 95 -14.443 -2.314 -3.132 1.00 0.79 N ATOM 0 H ASN A 95 -10.146 -3.776 -4.676 1.00 0.36 H new ATOM 0 HA ASN A 95 -11.325 -4.793 -2.316 1.00 0.40 H new ATOM 0 HB2 ASN A 95 -11.511 -2.455 -3.171 1.00 0.43 H new ATOM 0 HB3 ASN A 95 -12.471 -3.028 -4.520 1.00 0.43 H new ATOM 0 HD21 ASN A 95 -15.309 -2.177 -2.611 1.00 0.79 H new ATOM 0 HD22 ASN A 95 -14.313 -1.857 -4.035 1.00 0.79 H new ATOM 1536 N GLN A 96 -12.388 -6.016 -5.142 1.00 0.42 N ATOM 1537 CA GLN A 96 -13.233 -7.031 -5.760 1.00 0.48 C ATOM 1538 C GLN A 96 -12.614 -8.418 -5.604 1.00 0.49 C ATOM 1539 O GLN A 96 -13.271 -9.436 -5.829 1.00 0.66 O ATOM 1540 CB GLN A 96 -13.428 -6.711 -7.247 1.00 0.59 C ATOM 1541 CG GLN A 96 -13.718 -5.244 -7.523 1.00 0.93 C ATOM 1542 CD GLN A 96 -13.549 -4.877 -8.986 1.00 0.85 C ATOM 1543 OE1 GLN A 96 -13.805 -5.687 -9.879 1.00 1.11 O ATOM 1544 NE2 GLN A 96 -13.099 -3.657 -9.239 1.00 1.14 N ATOM 0 H GLN A 96 -11.705 -5.597 -5.773 1.00 0.42 H new ATOM 0 HA GLN A 96 -14.201 -7.027 -5.259 1.00 0.48 H new ATOM 0 HB2 GLN A 96 -12.532 -7.004 -7.793 1.00 0.59 H new ATOM 0 HB3 GLN A 96 -14.249 -7.314 -7.635 1.00 0.59 H new ATOM 0 HG2 GLN A 96 -14.737 -5.015 -7.211 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -13.053 -4.627 -6.919 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -12.899 -3.017 -8.470 1.00 1.14 H new ATOM 0 HE22 GLN A 96 -12.952 -3.357 -10.203 1.00 1.14 H new ATOM 1553 N GLU A 97 -11.347 -8.448 -5.209 1.00 0.42 N ATOM 1554 CA GLU A 97 -10.624 -9.704 -5.038 1.00 0.48 C ATOM 1555 C GLU A 97 -10.629 -10.148 -3.577 1.00 0.44 C ATOM 1556 O GLU A 97 -10.740 -11.338 -3.281 1.00 0.54 O ATOM 1557 CB GLU A 97 -9.182 -9.558 -5.530 1.00 0.56 C ATOM 1558 CG GLU A 97 -9.069 -8.939 -6.916 1.00 0.74 C ATOM 1559 CD GLU A 97 -7.675 -9.060 -7.501 1.00 0.72 C ATOM 1560 OE1 GLU A 97 -6.710 -8.587 -6.864 1.00 1.33 O ATOM 1561 OE2 GLU A 97 -7.538 -9.628 -8.606 1.00 1.30 O ATOM 0 H GLU A 97 -10.797 -7.615 -5.000 1.00 0.42 H new ATOM 0 HA GLU A 97 -11.131 -10.465 -5.631 1.00 0.48 H new ATOM 0 HB2 GLU A 97 -8.626 -8.945 -4.821 1.00 0.56 H new ATOM 0 HB3 GLU A 97 -8.710 -10.540 -5.541 1.00 0.56 H new ATOM 0 HG2 GLU A 97 -9.782 -9.422 -7.584 1.00 0.74 H new ATOM 0 HG3 GLU A 97 -9.346 -7.886 -6.862 1.00 0.74 H new ATOM 1568 N PHE A 98 -10.510 -9.191 -2.670 1.00 0.38 N ATOM 1569 CA PHE A 98 -10.493 -9.487 -1.245 1.00 0.43 C ATOM 1570 C PHE A 98 -11.881 -9.880 -0.754 1.00 0.49 C ATOM 1571 O PHE A 98 -12.849 -9.148 -0.969 1.00 0.52 O ATOM 1572 CB PHE A 98 -9.997 -8.276 -0.448 1.00 0.46 C ATOM 1573 CG PHE A 98 -8.520 -8.003 -0.572 1.00 0.47 C ATOM 1574 CD1 PHE A 98 -7.632 -9.005 -0.934 1.00 1.22 C ATOM 1575 CD2 PHE A 98 -8.022 -6.736 -0.315 1.00 1.34 C ATOM 1576 CE1 PHE A 98 -6.280 -8.747 -1.039 1.00 1.21 C ATOM 1577 CE2 PHE A 98 -6.671 -6.474 -0.419 1.00 1.39 C ATOM 1578 CZ PHE A 98 -5.797 -7.481 -0.781 1.00 0.56 C ATOM 0 H PHE A 98 -10.424 -8.200 -2.896 1.00 0.38 H new ATOM 0 HA PHE A 98 -9.812 -10.324 -1.090 1.00 0.43 H new ATOM 0 HB2 PHE A 98 -10.545 -7.393 -0.777 1.00 0.46 H new ATOM 0 HB3 PHE A 98 -10.238 -8.427 0.604 1.00 0.46 H new ATOM 0 HD1 PHE A 98 -8.003 -9.999 -1.136 1.00 1.22 H new ATOM 0 HD2 PHE A 98 -8.699 -5.944 -0.030 1.00 1.34 H new ATOM 0 HE1 PHE A 98 -5.600 -9.537 -1.323 1.00 1.21 H new ATOM 0 HE2 PHE A 98 -6.297 -5.481 -0.217 1.00 1.39 H new ATOM 0 HZ PHE A 98 -4.739 -7.278 -0.862 1.00 0.56 H new ATOM 1588 N PRO A 99 -11.999 -11.048 -0.102 1.00 0.58 N ATOM 1589 CA PRO A 99 -13.277 -11.528 0.431 1.00 0.70 C ATOM 1590 C PRO A 99 -13.779 -10.660 1.588 1.00 0.77 C ATOM 1591 O PRO A 99 -13.090 -9.736 2.025 1.00 1.47 O ATOM 1592 CB PRO A 99 -12.960 -12.946 0.914 1.00 0.78 C ATOM 1593 CG PRO A 99 -11.491 -12.946 1.158 1.00 0.82 C ATOM 1594 CD PRO A 99 -10.904 -11.996 0.154 1.00 0.63 C ATOM 0 HA PRO A 99 -14.070 -11.495 -0.316 1.00 0.70 H new ATOM 0 HB2 PRO A 99 -13.512 -13.187 1.823 1.00 0.78 H new ATOM 0 HB3 PRO A 99 -13.237 -13.689 0.167 1.00 0.78 H new ATOM 0 HG2 PRO A 99 -11.265 -12.627 2.175 1.00 0.82 H new ATOM 0 HG3 PRO A 99 -11.076 -13.947 1.038 1.00 0.82 H new ATOM 0 HD2 PRO A 99 -10.021 -11.492 0.547 1.00 0.63 H new ATOM 0 HD3 PRO A 99 -10.599 -12.512 -0.756 1.00 0.63 H new ATOM 1602 N ARG A 100 -14.961 -10.989 2.102 1.00 0.63 N ATOM 1603 CA ARG A 100 -15.579 -10.228 3.190 1.00 0.65 C ATOM 1604 C ARG A 100 -14.647 -10.046 4.394 1.00 0.61 C ATOM 1605 O ARG A 100 -14.647 -8.989 5.021 1.00 0.76 O ATOM 1606 CB ARG A 100 -16.889 -10.897 3.634 1.00 0.83 C ATOM 1607 CG ARG A 100 -16.725 -12.338 4.083 1.00 1.54 C ATOM 1608 CD ARG A 100 -18.068 -13.028 4.260 1.00 2.05 C ATOM 1609 NE ARG A 100 -17.918 -14.466 4.476 1.00 2.97 N ATOM 1610 CZ ARG A 100 -18.349 -15.404 3.629 1.00 3.79 C ATOM 1611 NH1 ARG A 100 -18.963 -15.066 2.499 1.00 3.82 N ATOM 1612 NH2 ARG A 100 -18.159 -16.686 3.907 1.00 4.87 N ATOM 0 H ARG A 100 -15.515 -11.783 1.781 1.00 0.63 H new ATOM 0 HA ARG A 100 -15.790 -9.234 2.796 1.00 0.65 H new ATOM 0 HB2 ARG A 100 -17.321 -10.319 4.451 1.00 0.83 H new ATOM 0 HB3 ARG A 100 -17.600 -10.863 2.809 1.00 0.83 H new ATOM 0 HG2 ARG A 100 -16.130 -12.882 3.350 1.00 1.54 H new ATOM 0 HG3 ARG A 100 -16.175 -12.366 5.024 1.00 1.54 H new ATOM 0 HD2 ARG A 100 -18.594 -12.587 5.107 1.00 2.05 H new ATOM 0 HD3 ARG A 100 -18.684 -12.856 3.377 1.00 2.05 H new ATOM 0 HE ARG A 100 -17.453 -14.773 5.330 1.00 2.97 H new ATOM 0 HH11 ARG A 100 -19.109 -14.082 2.272 1.00 3.82 H new ATOM 0 HH12 ARG A 100 -19.288 -15.790 1.859 1.00 3.82 H new ATOM 0 HH21 ARG A 100 -17.684 -16.956 4.768 1.00 4.87 H new ATOM 0 HH22 ARG A 100 -18.488 -17.402 3.260 1.00 4.87 H new ATOM 1626 N ASP A 101 -13.835 -11.050 4.699 1.00 0.61 N ATOM 1627 CA ASP A 101 -12.940 -10.972 5.853 1.00 0.66 C ATOM 1628 C ASP A 101 -11.721 -10.099 5.594 1.00 0.59 C ATOM 1629 O ASP A 101 -11.141 -9.546 6.529 1.00 0.70 O ATOM 1630 CB ASP A 101 -12.493 -12.360 6.289 1.00 0.84 C ATOM 1631 CG ASP A 101 -13.271 -12.852 7.490 1.00 1.76 C ATOM 1632 OD1 ASP A 101 -13.538 -12.042 8.403 1.00 2.58 O ATOM 1633 OD2 ASP A 101 -13.619 -14.051 7.528 1.00 2.35 O ATOM 0 H ASP A 101 -13.775 -11.921 4.171 1.00 0.61 H new ATOM 0 HA ASP A 101 -13.515 -10.506 6.654 1.00 0.66 H new ATOM 0 HB2 ASP A 101 -12.621 -13.059 5.462 1.00 0.84 H new ATOM 0 HB3 ASP A 101 -11.430 -12.341 6.528 1.00 0.84 H new ATOM 1638 N LEU A 102 -11.334 -9.959 4.337 1.00 0.55 N ATOM 1639 CA LEU A 102 -10.169 -9.152 3.999 1.00 0.57 C ATOM 1640 C LEU A 102 -10.574 -7.725 3.664 1.00 0.54 C ATOM 1641 O LEU A 102 -9.821 -6.784 3.923 1.00 0.64 O ATOM 1642 CB LEU A 102 -9.394 -9.765 2.829 1.00 0.60 C ATOM 1643 CG LEU A 102 -8.709 -11.105 3.116 1.00 0.68 C ATOM 1644 CD1 LEU A 102 -7.667 -11.404 2.051 1.00 0.83 C ATOM 1645 CD2 LEU A 102 -8.071 -11.105 4.497 1.00 0.85 C ATOM 0 H LEU A 102 -11.803 -10.388 3.539 1.00 0.55 H new ATOM 0 HA LEU A 102 -9.518 -9.134 4.873 1.00 0.57 H new ATOM 0 HB2 LEU A 102 -10.081 -9.900 1.993 1.00 0.60 H new ATOM 0 HB3 LEU A 102 -8.636 -9.052 2.506 1.00 0.60 H new ATOM 0 HG LEU A 102 -9.468 -11.887 3.093 1.00 0.68 H new ATOM 0 HD11 LEU A 102 -7.189 -12.359 2.268 1.00 0.83 H new ATOM 0 HD12 LEU A 102 -8.149 -11.453 1.074 1.00 0.83 H new ATOM 0 HD13 LEU A 102 -6.915 -10.615 2.046 1.00 0.83 H new ATOM 0 HD21 LEU A 102 -7.592 -12.067 4.676 1.00 0.85 H new ATOM 0 HD22 LEU A 102 -7.325 -10.312 4.553 1.00 0.85 H new ATOM 0 HD23 LEU A 102 -8.838 -10.936 5.252 1.00 0.85 H new ATOM 1657 N LYS A 103 -11.771 -7.564 3.108 1.00 0.50 N ATOM 1658 CA LYS A 103 -12.270 -6.243 2.733 1.00 0.54 C ATOM 1659 C LYS A 103 -12.431 -5.346 3.960 1.00 0.52 C ATOM 1660 O LYS A 103 -12.250 -4.131 3.875 1.00 0.56 O ATOM 1661 CB LYS A 103 -13.592 -6.362 1.959 1.00 0.69 C ATOM 1662 CG LYS A 103 -14.844 -6.265 2.822 1.00 0.95 C ATOM 1663 CD LYS A 103 -16.107 -6.441 1.994 1.00 1.22 C ATOM 1664 CE LYS A 103 -17.355 -6.098 2.794 1.00 1.66 C ATOM 1665 NZ LYS A 103 -18.598 -6.431 2.051 1.00 2.36 N ATOM 0 H LYS A 103 -12.414 -8.330 2.907 1.00 0.50 H new ATOM 0 HA LYS A 103 -11.534 -5.778 2.078 1.00 0.54 H new ATOM 0 HB2 LYS A 103 -13.627 -5.578 1.203 1.00 0.69 H new ATOM 0 HB3 LYS A 103 -13.604 -7.315 1.431 1.00 0.69 H new ATOM 0 HG2 LYS A 103 -14.810 -7.026 3.601 1.00 0.95 H new ATOM 0 HG3 LYS A 103 -14.868 -5.297 3.323 1.00 0.95 H new ATOM 0 HD2 LYS A 103 -16.055 -5.805 1.110 1.00 1.22 H new ATOM 0 HD3 LYS A 103 -16.171 -7.471 1.642 1.00 1.22 H new ATOM 0 HE2 LYS A 103 -17.341 -6.640 3.739 1.00 1.66 H new ATOM 0 HE3 LYS A 103 -17.350 -5.035 3.036 1.00 1.66 H new ATOM 0 HZ1 LYS A 103 -19.342 -5.746 2.294 1.00 2.36 H new ATOM 0 HZ2 LYS A 103 -18.412 -6.392 1.028 1.00 2.36 H new ATOM 0 HZ3 LYS A 103 -18.911 -7.388 2.310 1.00 2.36 H new ATOM 1679 N LYS A 104 -12.750 -5.949 5.103 1.00 0.51 N ATOM 1680 CA LYS A 104 -12.915 -5.197 6.342 1.00 0.56 C ATOM 1681 C LYS A 104 -11.594 -4.563 6.755 1.00 0.55 C ATOM 1682 O LYS A 104 -11.556 -3.431 7.234 1.00 0.63 O ATOM 1683 CB LYS A 104 -13.420 -6.111 7.459 1.00 0.65 C ATOM 1684 CG LYS A 104 -14.863 -6.556 7.282 1.00 1.14 C ATOM 1685 CD LYS A 104 -15.266 -7.568 8.344 1.00 1.34 C ATOM 1686 CE LYS A 104 -14.550 -8.893 8.154 1.00 1.98 C ATOM 1687 NZ LYS A 104 -14.877 -9.871 9.222 1.00 2.57 N ATOM 0 H LYS A 104 -12.899 -6.954 5.196 1.00 0.51 H new ATOM 0 HA LYS A 104 -13.650 -4.410 6.170 1.00 0.56 H new ATOM 0 HB2 LYS A 104 -12.781 -6.993 7.511 1.00 0.65 H new ATOM 0 HB3 LYS A 104 -13.324 -5.591 8.412 1.00 0.65 H new ATOM 0 HG2 LYS A 104 -15.522 -5.689 7.335 1.00 1.14 H new ATOM 0 HG3 LYS A 104 -14.991 -6.994 6.292 1.00 1.14 H new ATOM 0 HD2 LYS A 104 -15.038 -7.169 9.332 1.00 1.34 H new ATOM 0 HD3 LYS A 104 -16.344 -7.727 8.305 1.00 1.34 H new ATOM 0 HE2 LYS A 104 -14.820 -9.313 7.185 1.00 1.98 H new ATOM 0 HE3 LYS A 104 -13.474 -8.722 8.139 1.00 1.98 H new ATOM 0 HZ1 LYS A 104 -14.705 -10.836 8.874 1.00 2.57 H new ATOM 0 HZ2 LYS A 104 -14.278 -9.691 10.053 1.00 2.57 H new ATOM 0 HZ3 LYS A 104 -15.877 -9.772 9.489 1.00 2.57 H new ATOM 1701 N LYS A 105 -10.508 -5.296 6.540 1.00 0.55 N ATOM 1702 CA LYS A 105 -9.181 -4.817 6.884 1.00 0.60 C ATOM 1703 C LYS A 105 -8.775 -3.694 5.938 1.00 0.52 C ATOM 1704 O LYS A 105 -8.205 -2.689 6.360 1.00 0.55 O ATOM 1705 CB LYS A 105 -8.167 -5.961 6.826 1.00 0.70 C ATOM 1706 CG LYS A 105 -8.629 -7.217 7.551 1.00 0.88 C ATOM 1707 CD LYS A 105 -7.495 -8.217 7.722 1.00 1.26 C ATOM 1708 CE LYS A 105 -8.014 -9.647 7.817 1.00 1.76 C ATOM 1709 NZ LYS A 105 -9.041 -9.813 8.878 1.00 2.44 N ATOM 0 H LYS A 105 -10.524 -6.228 6.127 1.00 0.55 H new ATOM 0 HA LYS A 105 -9.199 -4.430 7.903 1.00 0.60 H new ATOM 0 HB2 LYS A 105 -7.966 -6.206 5.783 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -7.226 -5.625 7.261 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -9.027 -6.947 8.529 1.00 0.88 H new ATOM 0 HG3 LYS A 105 -9.442 -7.681 6.993 1.00 0.88 H new ATOM 0 HD2 LYS A 105 -6.807 -8.135 6.880 1.00 1.26 H new ATOM 0 HD3 LYS A 105 -6.929 -7.975 8.621 1.00 1.26 H new ATOM 0 HE2 LYS A 105 -8.438 -9.940 6.857 1.00 1.76 H new ATOM 0 HE3 LYS A 105 -7.180 -10.320 8.016 1.00 1.76 H new ATOM 0 HZ1 LYS A 105 -8.910 -10.732 9.347 1.00 2.44 H new ATOM 0 HZ2 LYS A 105 -8.944 -9.050 9.578 1.00 2.44 H new ATOM 0 HZ3 LYS A 105 -9.989 -9.774 8.453 1.00 2.44 H new ATOM 1723 N LEU A 106 -9.094 -3.867 4.658 1.00 0.51 N ATOM 1724 CA LEU A 106 -8.785 -2.858 3.652 1.00 0.52 C ATOM 1725 C LEU A 106 -9.587 -1.588 3.932 1.00 0.45 C ATOM 1726 O LEU A 106 -9.090 -0.475 3.749 1.00 0.46 O ATOM 1727 CB LEU A 106 -9.055 -3.411 2.234 1.00 0.65 C ATOM 1728 CG LEU A 106 -10.128 -2.690 1.400 1.00 0.71 C ATOM 1729 CD1 LEU A 106 -9.543 -1.479 0.691 1.00 1.27 C ATOM 1730 CD2 LEU A 106 -10.734 -3.640 0.380 1.00 1.04 C ATOM 0 H LEU A 106 -9.565 -4.695 4.295 1.00 0.51 H new ATOM 0 HA LEU A 106 -7.726 -2.604 3.703 1.00 0.52 H new ATOM 0 HB2 LEU A 106 -8.119 -3.387 1.676 1.00 0.65 H new ATOM 0 HB3 LEU A 106 -9.344 -4.458 2.327 1.00 0.65 H new ATOM 0 HG LEU A 106 -10.909 -2.350 2.080 1.00 0.71 H new ATOM 0 HD11 LEU A 106 -10.322 -0.987 0.108 1.00 1.27 H new ATOM 0 HD12 LEU A 106 -9.147 -0.782 1.429 1.00 1.27 H new ATOM 0 HD13 LEU A 106 -8.740 -1.799 0.027 1.00 1.27 H new ATOM 0 HD21 LEU A 106 -11.491 -3.114 -0.202 1.00 1.04 H new ATOM 0 HD22 LEU A 106 -9.953 -4.005 -0.287 1.00 1.04 H new ATOM 0 HD23 LEU A 106 -11.193 -4.483 0.896 1.00 1.04 H new ATOM 1742 N SER A 107 -10.814 -1.763 4.410 1.00 0.45 N ATOM 1743 CA SER A 107 -11.675 -0.637 4.740 1.00 0.46 C ATOM 1744 C SER A 107 -11.058 0.192 5.863 1.00 0.47 C ATOM 1745 O SER A 107 -11.145 1.419 5.856 1.00 0.51 O ATOM 1746 CB SER A 107 -13.062 -1.131 5.149 1.00 0.54 C ATOM 1747 OG SER A 107 -13.683 -1.835 4.086 1.00 1.15 O ATOM 0 H SER A 107 -11.234 -2.677 4.577 1.00 0.45 H new ATOM 0 HA SER A 107 -11.775 -0.007 3.856 1.00 0.46 H new ATOM 0 HB2 SER A 107 -12.979 -1.780 6.021 1.00 0.54 H new ATOM 0 HB3 SER A 107 -13.683 -0.284 5.441 1.00 0.54 H new ATOM 0 HG SER A 107 -13.209 -2.679 3.932 1.00 1.15 H new ATOM 1753 N ARG A 108 -10.418 -0.485 6.818 1.00 0.49 N ATOM 1754 CA ARG A 108 -9.773 0.199 7.932 1.00 0.55 C ATOM 1755 C ARG A 108 -8.619 1.050 7.418 1.00 0.54 C ATOM 1756 O ARG A 108 -8.377 2.151 7.915 1.00 0.62 O ATOM 1757 CB ARG A 108 -9.271 -0.803 8.978 1.00 0.67 C ATOM 1758 CG ARG A 108 -10.390 -1.516 9.724 1.00 1.10 C ATOM 1759 CD ARG A 108 -9.874 -2.253 10.952 1.00 1.49 C ATOM 1760 NE ARG A 108 -10.964 -2.591 11.863 1.00 2.15 N ATOM 1761 CZ ARG A 108 -10.911 -2.435 13.187 1.00 2.81 C ATOM 1762 NH1 ARG A 108 -9.780 -2.094 13.783 1.00 3.15 N ATOM 1763 NH2 ARG A 108 -11.989 -2.661 13.925 1.00 3.60 N ATOM 0 H ARG A 108 -10.334 -1.501 6.840 1.00 0.49 H new ATOM 0 HA ARG A 108 -10.508 0.845 8.412 1.00 0.55 H new ATOM 0 HB2 ARG A 108 -8.643 -1.546 8.486 1.00 0.67 H new ATOM 0 HB3 ARG A 108 -8.641 -0.280 9.698 1.00 0.67 H new ATOM 0 HG2 ARG A 108 -11.145 -0.790 10.027 1.00 1.10 H new ATOM 0 HG3 ARG A 108 -10.879 -2.224 9.055 1.00 1.10 H new ATOM 0 HD2 ARG A 108 -9.359 -3.163 10.643 1.00 1.49 H new ATOM 0 HD3 ARG A 108 -9.142 -1.633 11.470 1.00 1.49 H new ATOM 0 HE ARG A 108 -11.821 -2.971 11.461 1.00 2.15 H new ATOM 0 HH11 ARG A 108 -8.936 -1.947 13.229 1.00 3.15 H new ATOM 0 HH12 ARG A 108 -9.752 -1.978 14.796 1.00 3.15 H new ATOM 0 HH21 ARG A 108 -12.859 -2.954 13.481 1.00 3.60 H new ATOM 0 HH22 ARG A 108 -11.948 -2.542 14.937 1.00 3.60 H new ATOM 1777 N VAL A 109 -7.925 0.540 6.407 1.00 0.53 N ATOM 1778 CA VAL A 109 -6.809 1.253 5.805 1.00 0.60 C ATOM 1779 C VAL A 109 -7.314 2.500 5.083 1.00 0.57 C ATOM 1780 O VAL A 109 -6.809 3.598 5.293 1.00 0.61 O ATOM 1781 CB VAL A 109 -6.035 0.361 4.812 1.00 0.72 C ATOM 1782 CG1 VAL A 109 -4.839 1.102 4.241 1.00 1.14 C ATOM 1783 CG2 VAL A 109 -5.593 -0.933 5.478 1.00 1.25 C ATOM 0 H VAL A 109 -8.118 -0.369 5.987 1.00 0.53 H new ATOM 0 HA VAL A 109 -6.129 1.540 6.607 1.00 0.60 H new ATOM 0 HB VAL A 109 -6.706 0.110 3.991 1.00 0.72 H new ATOM 0 HG11 VAL A 109 -4.308 0.454 3.544 1.00 1.14 H new ATOM 0 HG12 VAL A 109 -5.180 1.995 3.718 1.00 1.14 H new ATOM 0 HG13 VAL A 109 -4.169 1.390 5.051 1.00 1.14 H new ATOM 0 HG21 VAL A 109 -5.049 -1.545 4.758 1.00 1.25 H new ATOM 0 HG22 VAL A 109 -4.944 -0.704 6.323 1.00 1.25 H new ATOM 0 HG23 VAL A 109 -6.469 -1.478 5.830 1.00 1.25 H new ATOM 1793 N VAL A 110 -8.333 2.322 4.248 1.00 0.54 N ATOM 1794 CA VAL A 110 -8.918 3.436 3.507 1.00 0.59 C ATOM 1795 C VAL A 110 -9.438 4.494 4.477 1.00 0.54 C ATOM 1796 O VAL A 110 -9.325 5.697 4.231 1.00 0.54 O ATOM 1797 CB VAL A 110 -10.070 2.961 2.591 1.00 0.70 C ATOM 1798 CG1 VAL A 110 -10.784 4.143 1.946 1.00 1.11 C ATOM 1799 CG2 VAL A 110 -9.545 2.009 1.527 1.00 1.06 C ATOM 0 H VAL A 110 -8.771 1.419 4.067 1.00 0.54 H new ATOM 0 HA VAL A 110 -8.137 3.866 2.879 1.00 0.59 H new ATOM 0 HB VAL A 110 -10.794 2.429 3.209 1.00 0.70 H new ATOM 0 HG11 VAL A 110 -11.589 3.778 1.308 1.00 1.11 H new ATOM 0 HG12 VAL A 110 -11.200 4.785 2.723 1.00 1.11 H new ATOM 0 HG13 VAL A 110 -10.075 4.713 1.345 1.00 1.11 H new ATOM 0 HG21 VAL A 110 -10.369 1.684 0.891 1.00 1.06 H new ATOM 0 HG22 VAL A 110 -8.797 2.519 0.920 1.00 1.06 H new ATOM 0 HG23 VAL A 110 -9.093 1.141 2.007 1.00 1.06 H new ATOM 1809 N ASN A 111 -9.986 4.024 5.589 1.00 0.55 N ATOM 1810 CA ASN A 111 -10.527 4.896 6.616 1.00 0.59 C ATOM 1811 C ASN A 111 -9.449 5.822 7.173 1.00 0.57 C ATOM 1812 O ASN A 111 -9.560 7.040 7.061 1.00 0.60 O ATOM 1813 CB ASN A 111 -11.137 4.064 7.748 1.00 0.68 C ATOM 1814 CG ASN A 111 -11.915 4.903 8.746 1.00 1.02 C ATOM 1815 OD1 ASN A 111 -11.359 5.413 9.717 1.00 1.61 O ATOM 1816 ND2 ASN A 111 -13.212 5.042 8.520 1.00 1.74 N ATOM 0 H ASN A 111 -10.067 3.030 5.802 1.00 0.55 H new ATOM 0 HA ASN A 111 -11.305 5.510 6.163 1.00 0.59 H new ATOM 0 HB2 ASN A 111 -11.798 3.310 7.322 1.00 0.68 H new ATOM 0 HB3 ASN A 111 -10.342 3.532 8.270 1.00 0.68 H new ATOM 0 HD21 ASN A 111 -13.786 5.588 9.163 1.00 1.74 H new ATOM 0 HD22 ASN A 111 -13.637 4.604 7.703 1.00 1.74 H new ATOM 1823 N ILE A 112 -8.391 5.242 7.735 1.00 0.57 N ATOM 1824 CA ILE A 112 -7.306 6.027 8.323 1.00 0.61 C ATOM 1825 C ILE A 112 -6.616 6.918 7.281 1.00 0.57 C ATOM 1826 O ILE A 112 -6.208 8.043 7.587 1.00 0.62 O ATOM 1827 CB ILE A 112 -6.268 5.112 9.031 1.00 0.70 C ATOM 1828 CG1 ILE A 112 -5.168 5.945 9.697 1.00 0.94 C ATOM 1829 CG2 ILE A 112 -5.660 4.109 8.060 1.00 0.92 C ATOM 1830 CD1 ILE A 112 -4.233 5.131 10.573 1.00 1.21 C ATOM 0 H ILE A 112 -8.261 4.232 7.796 1.00 0.57 H new ATOM 0 HA ILE A 112 -7.756 6.679 9.072 1.00 0.61 H new ATOM 0 HB ILE A 112 -6.796 4.555 9.805 1.00 0.70 H new ATOM 0 HG12 ILE A 112 -4.584 6.445 8.924 1.00 0.94 H new ATOM 0 HG13 ILE A 112 -5.631 6.725 10.301 1.00 0.94 H new ATOM 0 HG21 ILE A 112 -4.938 3.484 8.586 1.00 0.92 H new ATOM 0 HG22 ILE A 112 -6.448 3.481 7.644 1.00 0.92 H new ATOM 0 HG23 ILE A 112 -5.158 4.642 7.253 1.00 0.92 H new ATOM 0 HD11 ILE A 112 -3.481 5.787 11.011 1.00 1.21 H new ATOM 0 HD12 ILE A 112 -4.804 4.653 11.369 1.00 1.21 H new ATOM 0 HD13 ILE A 112 -3.742 4.368 9.970 1.00 1.21 H new ATOM 1842 N LEU A 113 -6.526 6.428 6.049 1.00 0.51 N ATOM 1843 CA LEU A 113 -5.882 7.173 4.970 1.00 0.52 C ATOM 1844 C LEU A 113 -6.613 8.476 4.662 1.00 0.48 C ATOM 1845 O LEU A 113 -5.996 9.542 4.601 1.00 0.53 O ATOM 1846 CB LEU A 113 -5.801 6.321 3.698 1.00 0.56 C ATOM 1847 CG LEU A 113 -4.774 5.188 3.731 1.00 0.74 C ATOM 1848 CD1 LEU A 113 -4.894 4.323 2.486 1.00 1.33 C ATOM 1849 CD2 LEU A 113 -3.365 5.745 3.861 1.00 1.27 C ATOM 0 H LEU A 113 -6.891 5.517 5.771 1.00 0.51 H new ATOM 0 HA LEU A 113 -4.876 7.418 5.310 1.00 0.52 H new ATOM 0 HB2 LEU A 113 -6.784 5.892 3.506 1.00 0.56 H new ATOM 0 HB3 LEU A 113 -5.569 6.975 2.857 1.00 0.56 H new ATOM 0 HG LEU A 113 -4.978 4.566 4.603 1.00 0.74 H new ATOM 0 HD11 LEU A 113 -4.156 3.522 2.527 1.00 1.33 H new ATOM 0 HD12 LEU A 113 -5.894 3.892 2.437 1.00 1.33 H new ATOM 0 HD13 LEU A 113 -4.718 4.934 1.600 1.00 1.33 H new ATOM 0 HD21 LEU A 113 -2.649 4.923 3.883 1.00 1.27 H new ATOM 0 HD22 LEU A 113 -3.149 6.391 3.010 1.00 1.27 H new ATOM 0 HD23 LEU A 113 -3.285 6.320 4.783 1.00 1.27 H new ATOM 1861 N LYS A 114 -7.927 8.405 4.477 1.00 0.47 N ATOM 1862 CA LYS A 114 -8.701 9.599 4.153 1.00 0.50 C ATOM 1863 C LYS A 114 -9.058 10.408 5.400 1.00 0.52 C ATOM 1864 O LYS A 114 -9.197 11.626 5.326 1.00 0.57 O ATOM 1865 CB LYS A 114 -9.971 9.246 3.365 1.00 0.58 C ATOM 1866 CG LYS A 114 -10.981 8.411 4.141 1.00 0.69 C ATOM 1867 CD LYS A 114 -12.400 8.943 3.973 1.00 0.89 C ATOM 1868 CE LYS A 114 -12.830 8.959 2.512 1.00 1.33 C ATOM 1869 NZ LYS A 114 -14.205 9.495 2.350 1.00 1.69 N ATOM 0 H LYS A 114 -8.473 7.546 4.544 1.00 0.47 H new ATOM 0 HA LYS A 114 -8.065 10.221 3.524 1.00 0.50 H new ATOM 0 HB2 LYS A 114 -10.452 10.169 3.043 1.00 0.58 H new ATOM 0 HB3 LYS A 114 -9.686 8.704 2.464 1.00 0.58 H new ATOM 0 HG2 LYS A 114 -10.937 7.377 3.799 1.00 0.69 H new ATOM 0 HG3 LYS A 114 -10.716 8.409 5.198 1.00 0.69 H new ATOM 0 HD2 LYS A 114 -13.090 8.325 4.548 1.00 0.89 H new ATOM 0 HD3 LYS A 114 -12.460 9.952 4.380 1.00 0.89 H new ATOM 0 HE2 LYS A 114 -12.133 9.565 1.934 1.00 1.33 H new ATOM 0 HE3 LYS A 114 -12.784 7.948 2.108 1.00 1.33 H new ATOM 0 HZ1 LYS A 114 -14.310 9.900 1.398 1.00 1.69 H new ATOM 0 HZ2 LYS A 114 -14.894 8.727 2.477 1.00 1.69 H new ATOM 0 HZ3 LYS A 114 -14.376 10.234 3.062 1.00 1.69 H new ATOM 1883 N GLU A 115 -9.194 9.741 6.541 1.00 0.54 N ATOM 1884 CA GLU A 115 -9.538 10.423 7.785 1.00 0.61 C ATOM 1885 C GLU A 115 -8.404 11.337 8.236 1.00 0.61 C ATOM 1886 O GLU A 115 -8.640 12.462 8.673 1.00 0.71 O ATOM 1887 CB GLU A 115 -9.864 9.414 8.887 1.00 0.68 C ATOM 1888 CG GLU A 115 -11.349 9.130 9.025 1.00 0.98 C ATOM 1889 CD GLU A 115 -12.128 10.358 9.438 1.00 1.47 C ATOM 1890 OE1 GLU A 115 -12.087 10.718 10.633 1.00 1.99 O ATOM 1891 OE2 GLU A 115 -12.784 10.971 8.572 1.00 2.20 O ATOM 0 H GLU A 115 -9.072 8.732 6.631 1.00 0.54 H new ATOM 0 HA GLU A 115 -10.422 11.032 7.596 1.00 0.61 H new ATOM 0 HB2 GLU A 115 -9.341 8.480 8.681 1.00 0.68 H new ATOM 0 HB3 GLU A 115 -9.484 9.789 9.837 1.00 0.68 H new ATOM 0 HG2 GLU A 115 -11.736 8.758 8.076 1.00 0.98 H new ATOM 0 HG3 GLU A 115 -11.500 8.341 9.762 1.00 0.98 H new ATOM 1898 N ARG A 116 -7.174 10.856 8.120 1.00 0.57 N ATOM 1899 CA ARG A 116 -6.013 11.648 8.513 1.00 0.62 C ATOM 1900 C ARG A 116 -5.492 12.456 7.330 1.00 0.58 C ATOM 1901 O ARG A 116 -4.476 13.144 7.439 1.00 0.63 O ATOM 1902 CB ARG A 116 -4.908 10.753 9.072 1.00 0.67 C ATOM 1903 CG ARG A 116 -5.324 9.992 10.321 1.00 0.80 C ATOM 1904 CD ARG A 116 -4.139 9.290 10.965 1.00 1.19 C ATOM 1905 NE ARG A 116 -4.543 8.430 12.079 1.00 1.74 N ATOM 1906 CZ ARG A 116 -3.706 7.960 13.002 1.00 2.40 C ATOM 1907 NH1 ARG A 116 -2.412 8.260 12.948 1.00 2.79 N ATOM 1908 NH2 ARG A 116 -4.165 7.189 13.978 1.00 3.23 N ATOM 0 H ARG A 116 -6.953 9.928 7.760 1.00 0.57 H new ATOM 0 HA ARG A 116 -6.324 12.338 9.297 1.00 0.62 H new ATOM 0 HB2 ARG A 116 -4.605 10.040 8.305 1.00 0.67 H new ATOM 0 HB3 ARG A 116 -4.036 11.365 9.302 1.00 0.67 H new ATOM 0 HG2 ARG A 116 -5.773 10.681 11.036 1.00 0.80 H new ATOM 0 HG3 ARG A 116 -6.088 9.258 10.064 1.00 0.80 H new ATOM 0 HD2 ARG A 116 -3.622 8.691 10.215 1.00 1.19 H new ATOM 0 HD3 ARG A 116 -3.428 10.035 11.323 1.00 1.19 H new ATOM 0 HE ARG A 116 -5.528 8.175 12.153 1.00 1.74 H new ATOM 0 HH11 ARG A 116 -2.057 8.852 12.197 1.00 2.79 H new ATOM 0 HH12 ARG A 116 -1.774 7.898 13.657 1.00 2.79 H new ATOM 0 HH21 ARG A 116 -5.157 6.957 14.021 1.00 3.23 H new ATOM 0 HH22 ARG A 116 -3.526 6.828 14.686 1.00 3.23 H new ATOM 1922 N ASN A 117 -6.207 12.363 6.209 1.00 0.52 N ATOM 1923 CA ASN A 117 -5.857 13.073 4.977 1.00 0.52 C ATOM 1924 C ASN A 117 -4.402 12.830 4.600 1.00 0.50 C ATOM 1925 O ASN A 117 -3.601 13.766 4.518 1.00 0.57 O ATOM 1926 CB ASN A 117 -6.131 14.576 5.112 1.00 0.63 C ATOM 1927 CG ASN A 117 -7.608 14.885 5.275 1.00 1.18 C ATOM 1928 OD1 ASN A 117 -8.348 15.001 4.296 1.00 2.00 O ATOM 1929 ND2 ASN A 117 -8.049 15.025 6.515 1.00 1.74 N ATOM 0 H ASN A 117 -7.048 11.792 6.129 1.00 0.52 H new ATOM 0 HA ASN A 117 -6.487 12.680 4.179 1.00 0.52 H new ATOM 0 HB2 ASN A 117 -5.585 14.966 5.971 1.00 0.63 H new ATOM 0 HB3 ASN A 117 -5.750 15.092 4.231 1.00 0.63 H new ATOM 0 HD21 ASN A 117 -9.032 15.236 6.686 1.00 1.74 H new ATOM 0 HD22 ASN A 117 -7.406 14.922 7.300 1.00 1.74 H new ATOM 1936 N ILE A 118 -4.065 11.565 4.398 1.00 0.46 N ATOM 1937 CA ILE A 118 -2.712 11.183 4.024 1.00 0.48 C ATOM 1938 C ILE A 118 -2.453 11.552 2.571 1.00 0.47 C ATOM 1939 O ILE A 118 -1.368 12.014 2.216 1.00 0.54 O ATOM 1940 CB ILE A 118 -2.480 9.667 4.228 1.00 0.50 C ATOM 1941 CG1 ILE A 118 -2.720 9.280 5.691 1.00 0.54 C ATOM 1942 CG2 ILE A 118 -1.077 9.268 3.791 1.00 0.55 C ATOM 1943 CD1 ILE A 118 -1.759 9.934 6.667 1.00 0.61 C ATOM 0 H ILE A 118 -4.713 10.783 4.487 1.00 0.46 H new ATOM 0 HA ILE A 118 -2.018 11.723 4.668 1.00 0.48 H new ATOM 0 HB ILE A 118 -3.194 9.127 3.606 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -3.740 9.550 5.965 1.00 0.54 H new ATOM 0 HG13 ILE A 118 -2.640 8.197 5.788 1.00 0.54 H new ATOM 0 HG21 ILE A 118 -0.939 8.198 3.944 1.00 0.55 H new ATOM 0 HG22 ILE A 118 -0.944 9.503 2.735 1.00 0.55 H new ATOM 0 HG23 ILE A 118 -0.342 9.817 4.380 1.00 0.55 H new ATOM 0 HD11 ILE A 118 -1.994 9.610 7.681 1.00 0.61 H new ATOM 0 HD12 ILE A 118 -0.737 9.644 6.421 1.00 0.61 H new ATOM 0 HD13 ILE A 118 -1.855 11.018 6.601 1.00 0.61 H new ATOM 1955 N PHE A 119 -3.467 11.362 1.741 1.00 0.45 N ATOM 1956 CA PHE A 119 -3.369 11.680 0.328 1.00 0.47 C ATOM 1957 C PHE A 119 -4.180 12.933 0.030 1.00 0.49 C ATOM 1958 O PHE A 119 -4.938 13.398 0.882 1.00 0.51 O ATOM 1959 CB PHE A 119 -3.884 10.514 -0.523 1.00 0.48 C ATOM 1960 CG PHE A 119 -3.105 9.240 -0.363 1.00 0.43 C ATOM 1961 CD1 PHE A 119 -1.791 9.156 -0.793 1.00 1.12 C ATOM 1962 CD2 PHE A 119 -3.692 8.122 0.206 1.00 1.26 C ATOM 1963 CE1 PHE A 119 -1.076 7.980 -0.653 1.00 1.13 C ATOM 1964 CE2 PHE A 119 -2.985 6.945 0.346 1.00 1.26 C ATOM 1965 CZ PHE A 119 -1.675 6.873 -0.084 1.00 0.44 C ATOM 0 H PHE A 119 -4.372 10.987 2.026 1.00 0.45 H new ATOM 0 HA PHE A 119 -2.322 11.855 0.079 1.00 0.47 H new ATOM 0 HB2 PHE A 119 -4.926 10.324 -0.265 1.00 0.48 H new ATOM 0 HB3 PHE A 119 -3.864 10.809 -1.572 1.00 0.48 H new ATOM 0 HD1 PHE A 119 -1.320 10.018 -1.242 1.00 1.12 H new ATOM 0 HD2 PHE A 119 -4.716 8.172 0.545 1.00 1.26 H new ATOM 0 HE1 PHE A 119 -0.051 7.928 -0.988 1.00 1.13 H new ATOM 0 HE2 PHE A 119 -3.456 6.081 0.791 1.00 1.26 H new ATOM 0 HZ PHE A 119 -1.120 5.953 0.024 1.00 0.44 H new ATOM 1975 N SER A 120 -4.017 13.472 -1.171 1.00 0.51 N ATOM 1976 CA SER A 120 -4.744 14.662 -1.588 1.00 0.55 C ATOM 1977 C SER A 120 -6.248 14.391 -1.609 1.00 0.50 C ATOM 1978 O SER A 120 -6.677 13.239 -1.726 1.00 0.48 O ATOM 1979 CB SER A 120 -4.253 15.085 -2.970 1.00 0.63 C ATOM 1980 OG SER A 120 -3.099 14.341 -3.333 1.00 1.30 O ATOM 0 H SER A 120 -3.383 13.100 -1.878 1.00 0.51 H new ATOM 0 HA SER A 120 -4.561 15.468 -0.878 1.00 0.55 H new ATOM 0 HB2 SER A 120 -5.041 14.929 -3.707 1.00 0.63 H new ATOM 0 HB3 SER A 120 -4.022 16.150 -2.971 1.00 0.63 H new ATOM 0 HG SER A 120 -2.796 14.621 -4.222 1.00 1.30 H new ATOM 1986 N LYS A 121 -7.044 15.453 -1.517 1.00 0.56 N ATOM 1987 CA LYS A 121 -8.498 15.329 -1.503 1.00 0.56 C ATOM 1988 C LYS A 121 -9.008 14.607 -2.747 1.00 0.53 C ATOM 1989 O LYS A 121 -9.977 13.853 -2.677 1.00 0.52 O ATOM 1990 CB LYS A 121 -9.152 16.705 -1.392 1.00 0.70 C ATOM 1991 CG LYS A 121 -10.511 16.684 -0.707 1.00 1.23 C ATOM 1992 CD LYS A 121 -11.644 16.854 -1.706 1.00 1.78 C ATOM 1993 CE LYS A 121 -12.247 18.251 -1.652 1.00 2.37 C ATOM 1994 NZ LYS A 121 -11.278 19.303 -2.058 1.00 2.85 N ATOM 0 H LYS A 121 -6.704 16.413 -1.451 1.00 0.56 H new ATOM 0 HA LYS A 121 -8.769 14.734 -0.631 1.00 0.56 H new ATOM 0 HB2 LYS A 121 -8.487 17.370 -0.840 1.00 0.70 H new ATOM 0 HB3 LYS A 121 -9.265 17.125 -2.391 1.00 0.70 H new ATOM 0 HG2 LYS A 121 -10.635 15.742 -0.172 1.00 1.23 H new ATOM 0 HG3 LYS A 121 -10.557 17.481 0.035 1.00 1.23 H new ATOM 0 HD2 LYS A 121 -11.273 16.658 -2.712 1.00 1.78 H new ATOM 0 HD3 LYS A 121 -12.420 16.116 -1.503 1.00 1.78 H new ATOM 0 HE2 LYS A 121 -13.119 18.293 -2.305 1.00 2.37 H new ATOM 0 HE3 LYS A 121 -12.596 18.454 -0.640 1.00 2.37 H new ATOM 0 HZ1 LYS A 121 -11.735 20.235 -2.005 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -10.457 19.283 -1.420 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -10.963 19.127 -3.033 1.00 2.85 H new ATOM 2008 N GLN A 122 -8.355 14.834 -3.880 1.00 0.60 N ATOM 2009 CA GLN A 122 -8.750 14.189 -5.126 1.00 0.67 C ATOM 2010 C GLN A 122 -8.478 12.685 -5.068 1.00 0.60 C ATOM 2011 O GLN A 122 -9.263 11.883 -5.570 1.00 0.73 O ATOM 2012 CB GLN A 122 -8.010 14.804 -6.320 1.00 0.80 C ATOM 2013 CG GLN A 122 -6.500 14.868 -6.142 1.00 1.48 C ATOM 2014 CD GLN A 122 -5.740 14.707 -7.445 1.00 2.20 C ATOM 2015 OE1 GLN A 122 -4.625 14.196 -7.465 1.00 2.95 O ATOM 2016 NE2 GLN A 122 -6.337 15.144 -8.542 1.00 2.69 N ATOM 0 H GLN A 122 -7.552 15.458 -3.962 1.00 0.60 H new ATOM 0 HA GLN A 122 -9.820 14.350 -5.257 1.00 0.67 H new ATOM 0 HB2 GLN A 122 -8.236 14.223 -7.214 1.00 0.80 H new ATOM 0 HB3 GLN A 122 -8.389 15.812 -6.490 1.00 0.80 H new ATOM 0 HG2 GLN A 122 -6.234 15.823 -5.689 1.00 1.48 H new ATOM 0 HG3 GLN A 122 -6.189 14.088 -5.448 1.00 1.48 H new ATOM 0 HE21 GLN A 122 -7.265 15.563 -8.485 1.00 2.69 H new ATOM 0 HE22 GLN A 122 -5.869 15.061 -9.445 1.00 2.69 H new ATOM 2025 N VAL A 123 -7.374 12.309 -4.426 1.00 0.51 N ATOM 2026 CA VAL A 123 -6.991 10.908 -4.313 1.00 0.53 C ATOM 2027 C VAL A 123 -7.932 10.162 -3.377 1.00 0.48 C ATOM 2028 O VAL A 123 -8.421 9.083 -3.706 1.00 0.48 O ATOM 2029 CB VAL A 123 -5.541 10.756 -3.809 1.00 0.67 C ATOM 2030 CG1 VAL A 123 -5.155 9.287 -3.706 1.00 0.95 C ATOM 2031 CG2 VAL A 123 -4.572 11.495 -4.718 1.00 1.28 C ATOM 0 H VAL A 123 -6.729 12.959 -3.976 1.00 0.51 H new ATOM 0 HA VAL A 123 -7.059 10.477 -5.312 1.00 0.53 H new ATOM 0 HB VAL A 123 -5.484 11.198 -2.814 1.00 0.67 H new ATOM 0 HG11 VAL A 123 -4.129 9.205 -3.349 1.00 0.95 H new ATOM 0 HG12 VAL A 123 -5.824 8.783 -3.008 1.00 0.95 H new ATOM 0 HG13 VAL A 123 -5.236 8.820 -4.687 1.00 0.95 H new ATOM 0 HG21 VAL A 123 -3.556 11.373 -4.342 1.00 1.28 H new ATOM 0 HG22 VAL A 123 -4.637 11.088 -5.727 1.00 1.28 H new ATOM 0 HG23 VAL A 123 -4.827 12.555 -4.737 1.00 1.28 H new ATOM 2041 N VAL A 124 -8.204 10.746 -2.213 1.00 0.48 N ATOM 2042 CA VAL A 124 -9.095 10.112 -1.245 1.00 0.49 C ATOM 2043 C VAL A 124 -10.519 10.043 -1.796 1.00 0.47 C ATOM 2044 O VAL A 124 -11.311 9.186 -1.401 1.00 0.50 O ATOM 2045 CB VAL A 124 -9.089 10.830 0.126 1.00 0.56 C ATOM 2046 CG1 VAL A 124 -7.683 10.857 0.704 1.00 1.23 C ATOM 2047 CG2 VAL A 124 -9.653 12.239 0.019 1.00 1.11 C ATOM 0 H VAL A 124 -7.826 11.646 -1.919 1.00 0.48 H new ATOM 0 HA VAL A 124 -8.719 9.102 -1.082 1.00 0.49 H new ATOM 0 HB VAL A 124 -9.734 10.267 0.801 1.00 0.56 H new ATOM 0 HG11 VAL A 124 -7.696 11.365 1.668 1.00 1.23 H new ATOM 0 HG12 VAL A 124 -7.324 9.836 0.837 1.00 1.23 H new ATOM 0 HG13 VAL A 124 -7.019 11.389 0.022 1.00 1.23 H new ATOM 0 HG21 VAL A 124 -9.634 12.714 1.000 1.00 1.11 H new ATOM 0 HG22 VAL A 124 -9.049 12.821 -0.678 1.00 1.11 H new ATOM 0 HG23 VAL A 124 -10.680 12.193 -0.342 1.00 1.11 H new ATOM 2057 N ASN A 125 -10.826 10.943 -2.724 1.00 0.47 N ATOM 2058 CA ASN A 125 -12.140 10.987 -3.357 1.00 0.50 C ATOM 2059 C ASN A 125 -12.240 9.920 -4.437 1.00 0.49 C ATOM 2060 O ASN A 125 -13.334 9.514 -4.833 1.00 0.55 O ATOM 2061 CB ASN A 125 -12.404 12.372 -3.957 1.00 0.58 C ATOM 2062 CG ASN A 125 -13.462 13.142 -3.191 1.00 1.10 C ATOM 2063 OD1 ASN A 125 -14.632 13.165 -3.576 1.00 1.74 O ATOM 2064 ND2 ASN A 125 -13.064 13.770 -2.094 1.00 1.74 N ATOM 0 H ASN A 125 -10.178 11.657 -3.057 1.00 0.47 H new ATOM 0 HA ASN A 125 -12.895 10.790 -2.596 1.00 0.50 H new ATOM 0 HB2 ASN A 125 -11.476 12.944 -3.965 1.00 0.58 H new ATOM 0 HB3 ASN A 125 -12.719 12.261 -4.995 1.00 0.58 H new ATOM 0 HD21 ASN A 125 -13.736 14.296 -1.535 1.00 1.74 H new ATOM 0 HD22 ASN A 125 -12.086 13.727 -1.808 1.00 1.74 H new ATOM 2071 N ASP A 126 -11.088 9.460 -4.909 1.00 0.47 N ATOM 2072 CA ASP A 126 -11.039 8.430 -5.936 1.00 0.48 C ATOM 2073 C ASP A 126 -11.163 7.054 -5.291 1.00 0.45 C ATOM 2074 O ASP A 126 -11.843 6.165 -5.802 1.00 0.48 O ATOM 2075 CB ASP A 126 -9.733 8.523 -6.733 1.00 0.52 C ATOM 2076 CG ASP A 126 -9.823 7.842 -8.086 1.00 0.76 C ATOM 2077 OD1 ASP A 126 -10.629 6.906 -8.239 1.00 1.44 O ATOM 2078 OD2 ASP A 126 -9.106 8.261 -9.017 1.00 1.43 O ATOM 0 H ASP A 126 -10.174 9.786 -4.595 1.00 0.47 H new ATOM 0 HA ASP A 126 -11.871 8.581 -6.623 1.00 0.48 H new ATOM 0 HB2 ASP A 126 -9.473 9.572 -6.875 1.00 0.52 H new ATOM 0 HB3 ASP A 126 -8.927 8.070 -6.156 1.00 0.52 H new ATOM 2083 N ILE A 127 -10.514 6.895 -4.149 1.00 0.42 N ATOM 2084 CA ILE A 127 -10.549 5.636 -3.421 1.00 0.42 C ATOM 2085 C ILE A 127 -11.974 5.295 -2.990 1.00 0.43 C ATOM 2086 O ILE A 127 -12.439 4.169 -3.178 1.00 0.45 O ATOM 2087 CB ILE A 127 -9.635 5.676 -2.178 1.00 0.42 C ATOM 2088 CG1 ILE A 127 -8.213 6.078 -2.578 1.00 0.44 C ATOM 2089 CG2 ILE A 127 -9.632 4.324 -1.476 1.00 0.47 C ATOM 2090 CD1 ILE A 127 -7.293 6.316 -1.400 1.00 0.46 C ATOM 0 H ILE A 127 -9.955 7.624 -3.705 1.00 0.42 H new ATOM 0 HA ILE A 127 -10.183 4.865 -4.099 1.00 0.42 H new ATOM 0 HB ILE A 127 -10.023 6.422 -1.484 1.00 0.42 H new ATOM 0 HG12 ILE A 127 -7.788 5.296 -3.208 1.00 0.44 H new ATOM 0 HG13 ILE A 127 -8.258 6.985 -3.182 1.00 0.44 H new ATOM 0 HG21 ILE A 127 -8.983 4.369 -0.602 1.00 0.47 H new ATOM 0 HG22 ILE A 127 -10.646 4.075 -1.163 1.00 0.47 H new ATOM 0 HG23 ILE A 127 -9.265 3.559 -2.161 1.00 0.47 H new ATOM 0 HD11 ILE A 127 -6.304 6.597 -1.762 1.00 0.46 H new ATOM 0 HD12 ILE A 127 -7.694 7.118 -0.781 1.00 0.46 H new ATOM 0 HD13 ILE A 127 -7.217 5.404 -0.808 1.00 0.46 H new ATOM 2102 N GLU A 128 -12.675 6.278 -2.432 1.00 0.46 N ATOM 2103 CA GLU A 128 -14.043 6.064 -1.971 1.00 0.51 C ATOM 2104 C GLU A 128 -14.996 5.783 -3.134 1.00 0.52 C ATOM 2105 O GLU A 128 -15.899 4.952 -3.013 1.00 0.55 O ATOM 2106 CB GLU A 128 -14.549 7.265 -1.162 1.00 0.62 C ATOM 2107 CG GLU A 128 -14.501 8.584 -1.914 1.00 1.04 C ATOM 2108 CD GLU A 128 -15.339 9.661 -1.257 1.00 1.37 C ATOM 2109 OE1 GLU A 128 -15.037 10.035 -0.105 1.00 1.75 O ATOM 2110 OE2 GLU A 128 -16.309 10.133 -1.888 1.00 2.05 O ATOM 0 H GLU A 128 -12.321 7.224 -2.289 1.00 0.46 H new ATOM 0 HA GLU A 128 -14.025 5.186 -1.325 1.00 0.51 H new ATOM 0 HB2 GLU A 128 -15.576 7.073 -0.851 1.00 0.62 H new ATOM 0 HB3 GLU A 128 -13.953 7.355 -0.254 1.00 0.62 H new ATOM 0 HG2 GLU A 128 -13.467 8.923 -1.980 1.00 1.04 H new ATOM 0 HG3 GLU A 128 -14.851 8.429 -2.935 1.00 1.04 H new ATOM 2117 N ARG A 129 -14.795 6.462 -4.259 1.00 0.55 N ATOM 2118 CA ARG A 129 -15.662 6.266 -5.416 1.00 0.64 C ATOM 2119 C ARG A 129 -15.451 4.881 -6.021 1.00 0.59 C ATOM 2120 O ARG A 129 -16.409 4.221 -6.407 1.00 0.62 O ATOM 2121 CB ARG A 129 -15.457 7.364 -6.474 1.00 0.77 C ATOM 2122 CG ARG A 129 -14.199 7.208 -7.318 1.00 1.07 C ATOM 2123 CD ARG A 129 -14.129 8.248 -8.423 1.00 1.55 C ATOM 2124 NE ARG A 129 -12.802 8.324 -9.037 1.00 2.26 N ATOM 2125 CZ ARG A 129 -12.496 9.153 -10.035 1.00 3.05 C ATOM 2126 NH1 ARG A 129 -13.426 9.940 -10.553 1.00 3.37 N ATOM 2127 NH2 ARG A 129 -11.260 9.197 -10.514 1.00 3.98 N ATOM 0 H ARG A 129 -14.049 7.145 -4.394 1.00 0.55 H new ATOM 0 HA ARG A 129 -16.693 6.337 -5.069 1.00 0.64 H new ATOM 0 HB2 ARG A 129 -16.323 7.378 -7.136 1.00 0.77 H new ATOM 0 HB3 ARG A 129 -15.424 8.331 -5.972 1.00 0.77 H new ATOM 0 HG2 ARG A 129 -13.320 7.296 -6.680 1.00 1.07 H new ATOM 0 HG3 ARG A 129 -14.176 6.210 -7.756 1.00 1.07 H new ATOM 0 HD2 ARG A 129 -14.867 8.010 -9.189 1.00 1.55 H new ATOM 0 HD3 ARG A 129 -14.394 9.224 -8.017 1.00 1.55 H new ATOM 0 HE ARG A 129 -12.071 7.708 -8.681 1.00 2.26 H new ATOM 0 HH11 ARG A 129 -14.378 9.913 -10.188 1.00 3.37 H new ATOM 0 HH12 ARG A 129 -13.190 10.574 -11.317 1.00 3.37 H new ATOM 0 HH21 ARG A 129 -10.538 8.595 -10.119 1.00 3.98 H new ATOM 0 HH22 ARG A 129 -11.031 9.833 -11.278 1.00 3.98 H new ATOM 2141 N SER A 130 -14.201 4.434 -6.071 1.00 0.56 N ATOM 2142 CA SER A 130 -13.884 3.128 -6.627 1.00 0.57 C ATOM 2143 C SER A 130 -14.384 2.011 -5.709 1.00 0.54 C ATOM 2144 O SER A 130 -14.829 0.960 -6.174 1.00 0.60 O ATOM 2145 CB SER A 130 -12.376 3.015 -6.856 1.00 0.58 C ATOM 2146 OG SER A 130 -11.920 4.041 -7.726 1.00 0.70 O ATOM 0 H SER A 130 -13.393 4.957 -5.733 1.00 0.56 H new ATOM 0 HA SER A 130 -14.392 3.020 -7.585 1.00 0.57 H new ATOM 0 HB2 SER A 130 -11.853 3.082 -5.902 1.00 0.58 H new ATOM 0 HB3 SER A 130 -12.140 2.040 -7.282 1.00 0.58 H new ATOM 0 HG SER A 130 -11.831 4.879 -7.225 1.00 0.70 H new ATOM 2152 N LEU A 131 -14.319 2.252 -4.402 1.00 0.49 N ATOM 2153 CA LEU A 131 -14.777 1.279 -3.417 1.00 0.50 C ATOM 2154 C LEU A 131 -16.286 1.085 -3.528 1.00 0.52 C ATOM 2155 O LEU A 131 -16.782 -0.044 -3.549 1.00 0.56 O ATOM 2156 CB LEU A 131 -14.408 1.743 -2.003 1.00 0.52 C ATOM 2157 CG LEU A 131 -13.577 0.754 -1.183 1.00 0.83 C ATOM 2158 CD1 LEU A 131 -12.184 0.602 -1.776 1.00 1.28 C ATOM 2159 CD2 LEU A 131 -13.495 1.211 0.265 1.00 1.33 C ATOM 0 H LEU A 131 -13.952 3.115 -4.001 1.00 0.49 H new ATOM 0 HA LEU A 131 -14.286 0.326 -3.614 1.00 0.50 H new ATOM 0 HB2 LEU A 131 -13.856 2.680 -2.079 1.00 0.52 H new ATOM 0 HB3 LEU A 131 -15.327 1.958 -1.458 1.00 0.52 H new ATOM 0 HG LEU A 131 -14.067 -0.219 -1.214 1.00 0.83 H new ATOM 0 HD11 LEU A 131 -11.609 -0.105 -1.178 1.00 1.28 H new ATOM 0 HD12 LEU A 131 -12.262 0.233 -2.799 1.00 1.28 H new ATOM 0 HD13 LEU A 131 -11.681 1.569 -1.776 1.00 1.28 H new ATOM 0 HD21 LEU A 131 -12.901 0.499 0.838 1.00 1.33 H new ATOM 0 HD22 LEU A 131 -13.026 2.194 0.310 1.00 1.33 H new ATOM 0 HD23 LEU A 131 -14.499 1.268 0.686 1.00 1.33 H new ATOM 2171 N ALA A 132 -17.004 2.197 -3.630 1.00 0.56 N ATOM 2172 CA ALA A 132 -18.457 2.165 -3.737 1.00 0.62 C ATOM 2173 C ALA A 132 -18.907 1.652 -5.102 1.00 0.64 C ATOM 2174 O ALA A 132 -19.877 0.899 -5.196 1.00 0.69 O ATOM 2175 CB ALA A 132 -19.037 3.547 -3.480 1.00 0.68 C ATOM 0 H ALA A 132 -16.602 3.134 -3.641 1.00 0.56 H new ATOM 0 HA ALA A 132 -18.829 1.475 -2.980 1.00 0.62 H new ATOM 0 HB1 ALA A 132 -20.123 3.507 -3.563 1.00 0.68 H new ATOM 0 HB2 ALA A 132 -18.762 3.876 -2.478 1.00 0.68 H new ATOM 0 HB3 ALA A 132 -18.642 4.249 -4.214 1.00 0.68 H new ATOM 2181 N ALA A 133 -18.194 2.056 -6.154 1.00 0.66 N ATOM 2182 CA ALA A 133 -18.526 1.642 -7.518 1.00 0.73 C ATOM 2183 C ALA A 133 -18.414 0.132 -7.686 1.00 0.73 C ATOM 2184 O ALA A 133 -19.153 -0.473 -8.464 1.00 0.84 O ATOM 2185 CB ALA A 133 -17.625 2.347 -8.523 1.00 0.84 C ATOM 0 H ALA A 133 -17.382 2.670 -6.088 1.00 0.66 H new ATOM 0 HA ALA A 133 -19.561 1.927 -7.706 1.00 0.73 H new ATOM 0 HB1 ALA A 133 -17.886 2.028 -9.532 1.00 0.84 H new ATOM 0 HB2 ALA A 133 -17.759 3.425 -8.438 1.00 0.84 H new ATOM 0 HB3 ALA A 133 -16.585 2.093 -8.319 1.00 0.84 H new ATOM 2191 N ALA A 134 -17.493 -0.472 -6.943 1.00 0.68 N ATOM 2192 CA ALA A 134 -17.279 -1.912 -7.008 1.00 0.74 C ATOM 2193 C ALA A 134 -18.474 -2.684 -6.449 1.00 0.84 C ATOM 2194 O ALA A 134 -18.634 -3.874 -6.727 1.00 1.12 O ATOM 2195 CB ALA A 134 -16.014 -2.289 -6.256 1.00 0.72 C ATOM 0 H ALA A 134 -16.882 0.015 -6.288 1.00 0.68 H new ATOM 0 HA ALA A 134 -17.168 -2.184 -8.058 1.00 0.74 H new ATOM 0 HB1 ALA A 134 -15.865 -3.367 -6.312 1.00 0.72 H new ATOM 0 HB2 ALA A 134 -15.160 -1.781 -6.703 1.00 0.72 H new ATOM 0 HB3 ALA A 134 -16.108 -1.989 -5.212 1.00 0.72 H new ATOM 2201 N LEU A 135 -19.296 -1.999 -5.651 1.00 0.73 N ATOM 2202 CA LEU A 135 -20.482 -2.600 -5.037 1.00 0.91 C ATOM 2203 C LEU A 135 -20.106 -3.807 -4.182 1.00 1.26 C ATOM 2204 O LEU A 135 -20.870 -4.764 -4.056 1.00 1.57 O ATOM 2205 CB LEU A 135 -21.502 -3.003 -6.107 1.00 2.01 C ATOM 2206 CG LEU A 135 -22.109 -1.840 -6.895 1.00 2.93 C ATOM 2207 CD1 LEU A 135 -22.950 -2.364 -8.047 1.00 4.04 C ATOM 2208 CD2 LEU A 135 -22.948 -0.954 -5.982 1.00 3.38 C ATOM 0 H LEU A 135 -19.159 -1.017 -5.413 1.00 0.73 H new ATOM 0 HA LEU A 135 -20.936 -1.851 -4.388 1.00 0.91 H new ATOM 0 HB2 LEU A 135 -21.020 -3.684 -6.808 1.00 2.01 H new ATOM 0 HB3 LEU A 135 -22.309 -3.557 -5.627 1.00 2.01 H new ATOM 0 HG LEU A 135 -21.297 -1.239 -7.304 1.00 2.93 H new ATOM 0 HD11 LEU A 135 -23.375 -1.525 -8.598 1.00 4.04 H new ATOM 0 HD12 LEU A 135 -22.324 -2.957 -8.714 1.00 4.04 H new ATOM 0 HD13 LEU A 135 -23.755 -2.987 -7.656 1.00 4.04 H new ATOM 0 HD21 LEU A 135 -23.371 -0.133 -6.560 1.00 3.38 H new ATOM 0 HD22 LEU A 135 -23.754 -1.543 -5.544 1.00 3.38 H new ATOM 0 HD23 LEU A 135 -22.320 -0.552 -5.187 1.00 3.38 H new ATOM 2220 N GLU A 136 -18.922 -3.752 -3.590 1.00 2.14 N ATOM 2221 CA GLU A 136 -18.441 -4.844 -2.753 1.00 3.37 C ATOM 2222 C GLU A 136 -18.659 -4.530 -1.278 1.00 4.00 C ATOM 2223 O GLU A 136 -18.309 -5.320 -0.401 1.00 5.01 O ATOM 2224 CB GLU A 136 -16.957 -5.111 -3.027 1.00 4.37 C ATOM 2225 CG GLU A 136 -16.456 -6.433 -2.463 1.00 4.99 C ATOM 2226 CD GLU A 136 -17.239 -7.622 -2.977 1.00 5.94 C ATOM 2227 OE1 GLU A 136 -16.896 -8.139 -4.055 1.00 6.64 O ATOM 2228 OE2 GLU A 136 -18.200 -8.053 -2.306 1.00 6.28 O ATOM 0 H GLU A 136 -18.277 -2.966 -3.673 1.00 2.14 H new ATOM 0 HA GLU A 136 -19.010 -5.741 -3.000 1.00 3.37 H new ATOM 0 HB2 GLU A 136 -16.788 -5.099 -4.104 1.00 4.37 H new ATOM 0 HB3 GLU A 136 -16.367 -4.299 -2.603 1.00 4.37 H new ATOM 0 HG2 GLU A 136 -15.404 -6.557 -2.720 1.00 4.99 H new ATOM 0 HG3 GLU A 136 -16.517 -6.406 -1.375 1.00 4.99 H new ATOM 2235 N HIS A 137 -19.249 -3.376 -1.004 1.00 3.80 N ATOM 2236 CA HIS A 137 -19.509 -2.969 0.366 1.00 4.84 C ATOM 2237 C HIS A 137 -20.634 -3.818 0.939 1.00 4.89 C ATOM 2238 O HIS A 137 -20.414 -4.484 1.966 1.00 5.24 O ATOM 2239 CB HIS A 137 -19.880 -1.486 0.432 1.00 5.45 C ATOM 2240 CG HIS A 137 -19.696 -0.871 1.789 1.00 6.36 C ATOM 2241 ND1 HIS A 137 -20.547 0.080 2.309 1.00 7.10 N ATOM 2242 CD2 HIS A 137 -18.742 -1.072 2.729 1.00 6.97 C ATOM 2243 CE1 HIS A 137 -20.117 0.444 3.504 1.00 8.00 C ATOM 2244 NE2 HIS A 137 -19.025 -0.240 3.781 1.00 7.94 N ATOM 0 H HIS A 137 -19.555 -2.708 -1.711 1.00 3.80 H new ATOM 0 HA HIS A 137 -18.604 -3.117 0.956 1.00 4.84 H new ATOM 0 HB2 HIS A 137 -19.274 -0.938 -0.289 1.00 5.45 H new ATOM 0 HB3 HIS A 137 -20.920 -1.368 0.129 1.00 5.45 H new ATOM 0 HD2 HIS A 137 -17.912 -1.760 2.662 1.00 6.97 H new ATOM 0 HE1 HIS A 137 -20.582 1.178 4.146 1.00 8.00 H new ATOM 0 HE2 HIS A 137 -18.479 -0.163 4.639 1.00 7.94 H new TER 2253 HIS A 137 ATOM 2254 N PRO B 206 1.168 -12.590 13.025 1.00 6.87 N ATOM 2255 CA PRO B 206 1.326 -11.418 13.903 1.00 6.09 C ATOM 2256 C PRO B 206 0.093 -10.514 13.865 1.00 5.34 C ATOM 2257 O PRO B 206 -0.242 -9.878 14.865 1.00 4.88 O ATOM 2258 CB PRO B 206 2.570 -10.673 13.458 1.00 6.19 C ATOM 2259 CG PRO B 206 3.284 -11.652 12.575 1.00 7.03 C ATOM 2260 CD PRO B 206 2.539 -12.970 12.665 1.00 7.47 C ATOM 0 HA PRO B 206 1.432 -11.742 14.938 1.00 6.09 H new ATOM 0 HB2 PRO B 206 2.317 -9.760 12.919 1.00 6.19 H new ATOM 0 HB3 PRO B 206 3.185 -10.380 14.309 1.00 6.19 H new ATOM 0 HG2 PRO B 206 3.308 -11.294 11.546 1.00 7.03 H new ATOM 0 HG3 PRO B 206 4.319 -11.773 12.895 1.00 7.03 H new ATOM 0 HD2 PRO B 206 2.567 -13.508 11.717 1.00 7.47 H new ATOM 0 HD3 PRO B 206 2.980 -13.625 13.416 1.00 7.47 H new ATOM 2269 N SER B 207 -0.556 -10.443 12.701 1.00 5.41 N ATOM 2270 CA SER B 207 -1.772 -9.652 12.512 1.00 4.96 C ATOM 2271 C SER B 207 -1.505 -8.145 12.552 1.00 4.06 C ATOM 2272 O SER B 207 -1.818 -7.461 13.527 1.00 3.56 O ATOM 2273 CB SER B 207 -2.836 -10.044 13.543 1.00 5.13 C ATOM 2274 OG SER B 207 -3.160 -11.423 13.438 1.00 6.02 O ATOM 0 H SER B 207 -0.251 -10.934 11.861 1.00 5.41 H new ATOM 0 HA SER B 207 -2.147 -9.878 11.514 1.00 4.96 H new ATOM 0 HB2 SER B 207 -2.472 -9.827 14.547 1.00 5.13 H new ATOM 0 HB3 SER B 207 -3.733 -9.443 13.392 1.00 5.13 H new ATOM 0 HG SER B 207 -3.839 -11.651 14.106 1.00 6.02 H new ATOM 2280 N TYR B 208 -0.920 -7.633 11.479 1.00 4.07 N ATOM 2281 CA TYR B 208 -0.633 -6.204 11.366 1.00 3.41 C ATOM 2282 C TYR B 208 -1.930 -5.400 11.320 1.00 3.00 C ATOM 2283 O TYR B 208 -2.855 -5.746 10.578 1.00 3.53 O ATOM 2284 CB TYR B 208 0.194 -5.942 10.099 1.00 3.93 C ATOM 2285 CG TYR B 208 0.365 -4.475 9.729 1.00 3.62 C ATOM 2286 CD1 TYR B 208 -0.540 -3.835 8.888 1.00 3.72 C ATOM 2287 CD2 TYR B 208 1.442 -3.739 10.202 1.00 3.62 C ATOM 2288 CE1 TYR B 208 -0.378 -2.509 8.536 1.00 3.76 C ATOM 2289 CE2 TYR B 208 1.612 -2.413 9.852 1.00 3.66 C ATOM 2290 CZ TYR B 208 0.698 -1.804 9.019 1.00 3.70 C ATOM 2291 OH TYR B 208 0.863 -0.484 8.666 1.00 4.04 O ATOM 0 H TYR B 208 -0.633 -8.185 10.670 1.00 4.07 H new ATOM 0 HA TYR B 208 -0.063 -5.889 12.240 1.00 3.41 H new ATOM 0 HB2 TYR B 208 1.181 -6.384 10.231 1.00 3.93 H new ATOM 0 HB3 TYR B 208 -0.278 -6.459 9.263 1.00 3.93 H new ATOM 0 HD1 TYR B 208 -1.386 -4.386 8.503 1.00 3.72 H new ATOM 0 HD2 TYR B 208 2.161 -4.211 10.856 1.00 3.62 H new ATOM 0 HE1 TYR B 208 -1.093 -2.029 7.885 1.00 3.76 H new ATOM 0 HE2 TYR B 208 2.457 -1.856 10.229 1.00 3.66 H new ATOM 0 HH TYR B 208 1.779 -0.342 8.348 1.00 4.04 H new HETATM 2301 N SEP B 209 -1.995 -4.336 12.109 1.00 2.36 N HETATM 2302 CA SEP B 209 -3.168 -3.489 12.127 1.00 2.38 C HETATM 2303 CB SEP B 209 -3.750 -3.434 13.540 1.00 2.36 C HETATM 2304 OG SEP B 209 -5.179 -3.503 13.513 1.00 3.00 O HETATM 2305 C SEP B 209 -2.772 -2.103 11.640 1.00 2.34 C HETATM 2306 O SEP B 209 -1.670 -1.653 11.935 1.00 2.07 O HETATM 2307 P SEP B 209 -6.052 -2.187 13.791 1.00 3.45 P HETATM 2308 O1P SEP B 209 -5.208 -1.048 13.421 1.00 3.38 O HETATM 2309 O2P SEP B 209 -6.475 -1.971 15.192 1.00 3.75 O HETATM 2310 O3P SEP B 209 -7.307 -2.070 13.013 1.00 4.19 O HETATM 0 HB3 SEP B 209 -3.354 -4.260 14.132 1.00 2.36 H new HETATM 0 HB2 SEP B 209 -3.437 -2.512 14.030 1.00 2.36 H new HETATM 0 HA SEP B 209 -3.937 -3.892 11.468 1.00 2.38 H new ATOM 2315 N PRO B 210 -3.639 -1.422 10.871 1.00 2.97 N ATOM 2316 CA PRO B 210 -3.350 -0.076 10.340 1.00 3.35 C ATOM 2317 C PRO B 210 -2.911 0.921 11.415 1.00 3.29 C ATOM 2318 O PRO B 210 -2.124 1.828 11.148 1.00 3.60 O ATOM 2319 CB PRO B 210 -4.683 0.361 9.734 1.00 4.20 C ATOM 2320 CG PRO B 210 -5.378 -0.909 9.387 1.00 4.35 C ATOM 2321 CD PRO B 210 -4.967 -1.905 10.435 1.00 3.65 C ATOM 0 HA PRO B 210 -2.521 -0.103 9.633 1.00 3.35 H new ATOM 0 HB2 PRO B 210 -5.266 0.950 10.443 1.00 4.20 H new ATOM 0 HB3 PRO B 210 -4.531 0.983 8.852 1.00 4.20 H new ATOM 0 HG2 PRO B 210 -6.459 -0.773 9.381 1.00 4.35 H new ATOM 0 HG3 PRO B 210 -5.094 -1.250 8.392 1.00 4.35 H new ATOM 0 HD2 PRO B 210 -5.676 -1.932 11.263 1.00 3.65 H new ATOM 0 HD3 PRO B 210 -4.913 -2.915 10.029 1.00 3.65 H new ATOM 2329 N THR B 211 -3.411 0.748 12.630 1.00 3.21 N ATOM 2330 CA THR B 211 -3.067 1.645 13.725 1.00 3.59 C ATOM 2331 C THR B 211 -1.793 1.193 14.450 1.00 3.26 C ATOM 2332 O THR B 211 -1.431 1.739 15.496 1.00 3.82 O ATOM 2333 CB THR B 211 -4.231 1.748 14.726 1.00 4.11 C ATOM 2334 OG1 THR B 211 -5.457 1.387 14.073 1.00 4.33 O ATOM 2335 CG2 THR B 211 -4.344 3.159 15.285 1.00 4.95 C ATOM 0 H THR B 211 -4.054 -0.002 12.883 1.00 3.21 H new ATOM 0 HA THR B 211 -2.878 2.627 13.292 1.00 3.59 H new ATOM 0 HB THR B 211 -4.038 1.066 15.554 1.00 4.11 H new ATOM 0 HG1 THR B 211 -5.557 0.412 14.081 1.00 4.33 H new ATOM 0 HG21 THR B 211 -5.174 3.206 15.990 1.00 4.95 H new ATOM 0 HG22 THR B 211 -3.418 3.423 15.796 1.00 4.95 H new ATOM 0 HG23 THR B 211 -4.521 3.860 14.470 1.00 4.95 H new ATOM 2343 N SER B 212 -1.109 0.204 13.890 1.00 2.62 N ATOM 2344 CA SER B 212 0.126 -0.299 14.482 1.00 2.67 C ATOM 2345 C SER B 212 1.175 -0.540 13.398 1.00 2.47 C ATOM 2346 O SER B 212 1.441 -1.686 13.027 1.00 2.28 O ATOM 2347 CB SER B 212 -0.140 -1.592 15.260 1.00 2.77 C ATOM 2348 OG SER B 212 -1.243 -2.291 14.709 1.00 3.16 O ATOM 0 H SER B 212 -1.387 -0.266 13.028 1.00 2.62 H new ATOM 0 HA SER B 212 0.507 0.451 15.176 1.00 2.67 H new ATOM 0 HB2 SER B 212 0.747 -2.225 15.236 1.00 2.77 H new ATOM 0 HB3 SER B 212 -0.337 -1.359 16.306 1.00 2.77 H new ATOM 0 HG SER B 212 -1.256 -2.168 13.737 1.00 3.16 H new ATOM 2354 N PRO B 213 1.767 0.545 12.861 1.00 2.92 N ATOM 2355 CA PRO B 213 2.788 0.447 11.812 1.00 3.21 C ATOM 2356 C PRO B 213 4.057 -0.258 12.298 1.00 3.71 C ATOM 2357 O PRO B 213 4.499 -1.244 11.710 1.00 4.03 O ATOM 2358 CB PRO B 213 3.080 1.910 11.446 1.00 3.80 C ATOM 2359 CG PRO B 213 2.622 2.708 12.620 1.00 4.01 C ATOM 2360 CD PRO B 213 1.478 1.946 13.222 1.00 3.53 C ATOM 0 HA PRO B 213 2.444 -0.148 10.966 1.00 3.21 H new ATOM 0 HB2 PRO B 213 4.142 2.064 11.256 1.00 3.80 H new ATOM 0 HB3 PRO B 213 2.549 2.202 10.540 1.00 3.80 H new ATOM 0 HG2 PRO B 213 3.428 2.836 13.343 1.00 4.01 H new ATOM 0 HG3 PRO B 213 2.307 3.706 12.314 1.00 4.01 H new ATOM 0 HD2 PRO B 213 1.431 2.080 14.303 1.00 3.53 H new ATOM 0 HD3 PRO B 213 0.520 2.275 12.818 1.00 3.53 H new ATOM 2368 N SER B 214 4.636 0.260 13.370 1.00 4.09 N ATOM 2369 CA SER B 214 5.845 -0.307 13.944 1.00 4.82 C ATOM 2370 C SER B 214 5.794 -0.175 15.459 1.00 5.05 C ATOM 2371 O SER B 214 5.691 0.972 15.951 1.00 5.14 O ATOM 2372 CB SER B 214 7.090 0.399 13.390 1.00 5.57 C ATOM 2373 OG SER B 214 6.773 1.201 12.261 1.00 5.55 O ATOM 2374 OXT SER B 214 5.818 -1.210 16.154 1.00 5.39 O ATOM 0 H SER B 214 4.283 1.080 13.864 1.00 4.09 H new ATOM 0 HA SER B 214 5.906 -1.361 13.674 1.00 4.82 H new ATOM 0 HB2 SER B 214 7.533 1.022 14.167 1.00 5.57 H new ATOM 0 HB3 SER B 214 7.838 -0.344 13.112 1.00 5.57 H new ATOM 0 HG SER B 214 6.419 0.633 11.545 1.00 5.55 H new TER 2380 SER B 214