USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1069 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 CYS SG : rot 94:sc= -1.72! USER MOD Set 1.2: A 115 TYR OH : rot -101:sc= 0.0541! USER MOD Set 2.1: A 91 THR OG1 : rot 92:sc= 1.1 USER MOD Set 2.2: A 116 THR OG1 : rot 18:sc= 0.712 USER MOD Set 3.1: A 11 LYS NZ :NH3+ -163:sc= 0.973 (180deg=0) USER MOD Set 3.2: A 132 SER OG : rot -58:sc= 1.77 USER MOD Single : A 3 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-0.26) USER MOD Single : A 7 TYR OH : rot -105:sc= 1.65 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.199 USER MOD Single : A 14 GLN : amide:sc= 1.63 K(o=1.6,f=-7.9!) USER MOD Single : A 16 ASN : amide:sc= -1.03 K(o=-1,f=-0.048) USER MOD Single : A 17 HIS : no HD1:sc= -0.024 X(o=-0.024,f=-0.041) USER MOD Single : A 18 LYS NZ :NH3+ 141:sc= 1.2 (180deg=0.0944) USER MOD Single : A 20 MET CE :methyl 142:sc= -0.416 (180deg=-2.12) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.171 K(o=-0.17,f=-0.77) USER MOD Single : A 35 CYS SG : rot 180:sc= -1.45 USER MOD Single : A 36 THR OG1 : rot 170:sc= 0.058 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 48 HIS : no HE2:sc= 0.255 K(o=0.26,f=-0.91) USER MOD Single : A 49 ASN : amide:sc= -0.451 X(o=-0.45,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 115:sc= 1.23 USER MOD Single : A 73 GLN : amide:sc= -0.547 X(o=-0.55,f=-0.55) USER MOD Single : A 74 MET CE :methyl 168:sc= -0.193 (180deg=-0.793) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -178:sc= -0.531 (180deg=-0.568) USER MOD Single : A 88 TYR OH : rot 59:sc= 0.0508 USER MOD Single : A 89 GLN : amide:sc= 0.369 K(o=0.37,f=-2.6!) USER MOD Single : A 94 GLN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0.682 K(o=0.68,f=-0.1) USER MOD Single : A 112 CYS SG : rot 94:sc= -6.16! USER MOD Single : A 117 THR OG1 : rot 117:sc= 0.667 USER MOD Single : A 119 THR OG1 : rot -46:sc= 0.106 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 65:sc= 0.621 USER MOD Single : A 130 HIS : no HD1:sc=-0.000672 X(o=-0.00067,f=-0.00067) USER MOD Single : A 133 TYR OH : rot 130:sc= 0.0944 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc= -0.0938 K(o=-0.094,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -14.132 -1.960 6.450 1.00 0.00 N ATOM 19 CA ALA A 2 -13.053 -1.041 6.723 1.00 0.00 C ATOM 20 C ALA A 2 -12.342 -0.962 5.385 1.00 0.00 C ATOM 21 O ALA A 2 -11.600 -1.871 5.021 1.00 0.00 O ATOM 22 CB ALA A 2 -12.131 -1.599 7.814 1.00 0.00 C ATOM 0 HA ALA A 2 -13.383 -0.070 7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.324 -0.892 8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.702 -1.754 8.729 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.710 -2.549 7.484 1.00 0.00 H new ATOM 28 N HIS A 3 -12.664 0.059 4.604 1.00 0.00 N ATOM 29 CA HIS A 3 -12.135 0.201 3.266 1.00 0.00 C ATOM 30 C HIS A 3 -10.649 0.533 3.428 1.00 0.00 C ATOM 31 O HIS A 3 -10.305 1.505 4.110 1.00 0.00 O ATOM 32 CB HIS A 3 -12.872 1.344 2.563 1.00 0.00 C ATOM 33 CG HIS A 3 -14.365 1.181 2.619 1.00 0.00 C ATOM 34 ND1 HIS A 3 -15.267 2.011 3.238 1.00 0.00 N ATOM 35 CD2 HIS A 3 -15.060 0.146 2.076 1.00 0.00 C ATOM 36 CE1 HIS A 3 -16.494 1.504 3.028 1.00 0.00 C ATOM 37 NE2 HIS A 3 -16.421 0.355 2.331 1.00 0.00 N ATOM 0 H HIS A 3 -13.298 0.807 4.884 1.00 0.00 H new ATOM 0 HA HIS A 3 -12.264 -0.702 2.669 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.595 2.291 3.026 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.553 1.393 1.522 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -14.636 -0.691 1.541 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -17.412 1.957 3.371 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -17.198 -0.242 2.047 1.00 0.00 H new ATOM 45 N ILE A 4 -9.752 -0.250 2.846 1.00 0.00 N ATOM 46 CA ILE A 4 -8.322 0.029 2.878 1.00 0.00 C ATOM 47 C ILE A 4 -7.880 0.478 1.489 1.00 0.00 C ATOM 48 O ILE A 4 -8.665 0.480 0.541 1.00 0.00 O ATOM 49 CB ILE A 4 -7.528 -1.178 3.417 1.00 0.00 C ATOM 50 CG1 ILE A 4 -7.603 -2.414 2.494 1.00 0.00 C ATOM 51 CG2 ILE A 4 -7.996 -1.508 4.849 1.00 0.00 C ATOM 52 CD1 ILE A 4 -6.464 -3.408 2.733 1.00 0.00 C ATOM 0 H ILE A 4 -9.995 -1.099 2.337 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.111 0.841 3.574 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.475 -0.897 3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.557 -2.919 2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.580 -2.087 1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.434 -2.361 5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.827 -0.646 5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.059 -1.750 4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.572 -4.255 2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.508 -2.917 2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.500 -3.762 3.763 1.00 0.00 H new ATOM 64 N PHE A 5 -6.624 0.887 1.373 1.00 0.00 N ATOM 65 CA PHE A 5 -5.971 1.111 0.097 1.00 0.00 C ATOM 66 C PHE A 5 -4.919 0.027 -0.131 1.00 0.00 C ATOM 67 O PHE A 5 -4.573 -0.719 0.793 1.00 0.00 O ATOM 68 CB PHE A 5 -5.390 2.512 0.133 1.00 0.00 C ATOM 69 CG PHE A 5 -5.137 3.148 -1.203 1.00 0.00 C ATOM 70 CD1 PHE A 5 -6.187 3.858 -1.805 1.00 0.00 C ATOM 71 CD2 PHE A 5 -3.867 3.110 -1.802 1.00 0.00 C ATOM 72 CE1 PHE A 5 -5.952 4.599 -2.966 1.00 0.00 C ATOM 73 CE2 PHE A 5 -3.640 3.836 -2.983 1.00 0.00 C ATOM 74 CZ PHE A 5 -4.668 4.621 -3.525 1.00 0.00 C ATOM 0 H PHE A 5 -6.024 1.074 2.176 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.663 1.045 -0.743 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.069 3.152 0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.450 2.481 0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.176 3.832 -1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.072 2.528 -1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.756 5.152 -3.430 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.678 3.790 -3.471 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.468 5.248 -4.381 1.00 0.00 H new ATOM 84 N VAL A 6 -4.437 -0.094 -1.370 1.00 0.00 N ATOM 85 CA VAL A 6 -3.406 -1.046 -1.744 1.00 0.00 C ATOM 86 C VAL A 6 -2.242 -0.259 -2.319 1.00 0.00 C ATOM 87 O VAL A 6 -2.440 0.619 -3.160 1.00 0.00 O ATOM 88 CB VAL A 6 -3.954 -2.126 -2.692 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.551 -1.594 -3.995 1.00 0.00 C ATOM 90 CG2 VAL A 6 -2.870 -3.133 -3.071 1.00 0.00 C ATOM 0 H VAL A 6 -4.762 0.479 -2.149 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.053 -1.602 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.756 -2.590 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.911 -2.428 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.381 -0.925 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.787 -1.049 -4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.289 -3.883 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.052 -2.615 -3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.495 -3.620 -2.171 1.00 0.00 H new ATOM 100 N TYR A 7 -1.036 -0.600 -1.879 1.00 0.00 N ATOM 101 CA TYR A 7 0.175 0.080 -2.292 1.00 0.00 C ATOM 102 C TYR A 7 0.383 0.004 -3.811 1.00 0.00 C ATOM 103 O TYR A 7 0.626 1.010 -4.478 1.00 0.00 O ATOM 104 CB TYR A 7 1.349 -0.545 -1.525 1.00 0.00 C ATOM 105 CG TYR A 7 2.700 -0.100 -2.036 1.00 0.00 C ATOM 106 CD1 TYR A 7 2.904 1.246 -2.389 1.00 0.00 C ATOM 107 CD2 TYR A 7 3.712 -1.049 -2.256 1.00 0.00 C ATOM 108 CE1 TYR A 7 4.082 1.630 -3.034 1.00 0.00 C ATOM 109 CE2 TYR A 7 4.910 -0.659 -2.877 1.00 0.00 C ATOM 110 CZ TYR A 7 5.097 0.683 -3.279 1.00 0.00 C ATOM 111 OH TYR A 7 6.227 1.053 -3.942 1.00 0.00 O ATOM 0 H TYR A 7 -0.875 -1.363 -1.221 1.00 0.00 H new ATOM 0 HA TYR A 7 0.101 1.142 -2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 7 1.264 -0.286 -0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.282 -1.631 -1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.149 1.984 -2.161 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.569 -2.075 -1.949 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.216 2.655 -3.346 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.690 -1.386 -3.048 1.00 0.00 H new ATOM 0 HH TYR A 7 6.197 0.706 -4.858 1.00 0.00 H new ATOM 121 N GLY A 8 0.331 -1.206 -4.364 1.00 0.00 N ATOM 122 CA GLY A 8 0.764 -1.499 -5.729 1.00 0.00 C ATOM 123 C GLY A 8 0.923 -3.003 -5.936 1.00 0.00 C ATOM 124 O GLY A 8 0.625 -3.585 -6.981 1.00 0.00 O ATOM 0 H GLY A 8 -0.019 -2.025 -3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.037 -1.105 -6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.711 -0.997 -5.931 1.00 0.00 H new ATOM 128 N THR A 9 1.371 -3.650 -4.877 1.00 0.00 N ATOM 129 CA THR A 9 1.616 -5.064 -4.687 1.00 0.00 C ATOM 130 C THR A 9 0.399 -5.959 -4.975 1.00 0.00 C ATOM 131 O THR A 9 0.600 -7.115 -5.358 1.00 0.00 O ATOM 132 CB THR A 9 2.199 -5.219 -3.261 1.00 0.00 C ATOM 133 OG1 THR A 9 1.796 -4.118 -2.463 1.00 0.00 O ATOM 134 CG2 THR A 9 3.729 -5.138 -3.316 1.00 0.00 C ATOM 0 H THR A 9 1.599 -3.132 -4.028 1.00 0.00 H new ATOM 0 HA THR A 9 2.332 -5.425 -5.425 1.00 0.00 H new ATOM 0 HB THR A 9 1.854 -6.171 -2.857 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.164 -4.217 -1.560 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.136 -5.247 -2.311 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.113 -5.936 -3.952 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.028 -4.173 -3.725 1.00 0.00 H new ATOM 142 N LEU A 10 -0.838 -5.450 -4.896 1.00 0.00 N ATOM 143 CA LEU A 10 -2.068 -6.218 -5.134 1.00 0.00 C ATOM 144 C LEU A 10 -3.036 -5.410 -6.031 1.00 0.00 C ATOM 145 O LEU A 10 -4.243 -5.509 -5.864 1.00 0.00 O ATOM 146 CB LEU A 10 -2.698 -6.749 -3.814 1.00 0.00 C ATOM 147 CG LEU A 10 -1.693 -7.281 -2.762 1.00 0.00 C ATOM 148 CD1 LEU A 10 -1.241 -6.188 -1.784 1.00 0.00 C ATOM 149 CD2 LEU A 10 -2.236 -8.427 -1.915 1.00 0.00 C ATOM 0 H LEU A 10 -1.015 -4.474 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.819 -7.123 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.280 -5.946 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.396 -7.549 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.858 -7.638 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.537 -6.610 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.757 -5.383 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.108 -5.793 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.475 -8.745 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.122 -8.092 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.500 -9.264 -2.562 1.00 0.00 H new ATOM 161 N LYS A 11 -2.525 -4.580 -6.964 1.00 0.00 N ATOM 162 CA LYS A 11 -3.338 -3.777 -7.907 1.00 0.00 C ATOM 163 C LYS A 11 -2.934 -3.880 -9.382 1.00 0.00 C ATOM 164 O LYS A 11 -3.400 -3.080 -10.192 1.00 0.00 O ATOM 165 CB LYS A 11 -3.446 -2.314 -7.459 1.00 0.00 C ATOM 166 CG LYS A 11 -2.181 -1.460 -7.578 1.00 0.00 C ATOM 167 CD LYS A 11 -2.242 -0.384 -8.676 1.00 0.00 C ATOM 168 CE LYS A 11 -1.125 0.662 -8.530 1.00 0.00 C ATOM 169 NZ LYS A 11 -1.165 1.684 -9.598 1.00 0.00 N ATOM 0 H LYS A 11 -1.521 -4.445 -7.087 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.326 -4.236 -7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.234 -1.837 -8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.768 -2.301 -6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.994 -0.974 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.332 -2.115 -7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.165 -0.861 -9.653 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.211 0.115 -8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.214 1.151 -7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.157 0.161 -8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.254 2.184 -9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.343 1.223 -10.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.926 2.364 -9.399 1.00 0.00 H new ATOM 183 N ARG A 12 -2.024 -4.789 -9.743 1.00 0.00 N ATOM 184 CA ARG A 12 -1.647 -5.043 -11.133 1.00 0.00 C ATOM 185 C ARG A 12 -1.382 -6.529 -11.314 1.00 0.00 C ATOM 186 O ARG A 12 -2.337 -7.249 -11.587 1.00 0.00 O ATOM 187 CB ARG A 12 -0.454 -4.154 -11.548 1.00 0.00 C ATOM 188 CG ARG A 12 -0.847 -2.993 -12.461 1.00 0.00 C ATOM 189 CD ARG A 12 -1.478 -3.496 -13.764 1.00 0.00 C ATOM 190 NE ARG A 12 -1.083 -2.636 -14.889 1.00 0.00 N ATOM 191 CZ ARG A 12 -1.673 -2.494 -16.076 1.00 0.00 C ATOM 192 NH1 ARG A 12 -2.821 -3.108 -16.358 1.00 0.00 N ATOM 193 NH2 ARG A 12 -1.088 -1.721 -16.988 1.00 0.00 N ATOM 0 H ARG A 12 -1.525 -5.373 -9.072 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.465 -4.772 -11.801 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.021 -3.756 -10.651 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.288 -4.770 -12.056 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.550 -2.342 -11.942 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.034 -2.393 -12.689 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.165 -4.522 -13.955 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.564 -3.507 -13.670 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.246 -2.073 -14.742 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.267 -3.702 -15.659 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.254 -2.984 -17.273 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.208 -1.253 -16.771 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.520 -1.597 -17.904 1.00 0.00 H new ATOM 207 N GLY A 13 -0.165 -7.015 -11.049 1.00 0.00 N ATOM 208 CA GLY A 13 0.147 -8.430 -11.149 1.00 0.00 C ATOM 209 C GLY A 13 1.423 -8.829 -10.422 1.00 0.00 C ATOM 210 O GLY A 13 1.938 -9.927 -10.638 1.00 0.00 O ATOM 0 H GLY A 13 0.623 -6.435 -10.761 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.686 -9.006 -10.745 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.240 -8.699 -12.201 1.00 0.00 H new ATOM 214 N GLN A 14 1.884 -7.976 -9.504 1.00 0.00 N ATOM 215 CA GLN A 14 2.997 -8.203 -8.593 1.00 0.00 C ATOM 216 C GLN A 14 2.936 -9.605 -7.951 1.00 0.00 C ATOM 217 O GLN A 14 1.837 -10.146 -7.760 1.00 0.00 O ATOM 218 CB GLN A 14 2.964 -7.111 -7.508 1.00 0.00 C ATOM 219 CG GLN A 14 3.792 -5.865 -7.824 1.00 0.00 C ATOM 220 CD GLN A 14 3.358 -5.160 -9.108 1.00 0.00 C ATOM 221 OE1 GLN A 14 4.091 -5.174 -10.080 1.00 0.00 O ATOM 222 NE2 GLN A 14 2.183 -4.556 -9.184 1.00 0.00 N ATOM 0 H GLN A 14 1.463 -7.056 -9.373 1.00 0.00 H new ATOM 0 HA GLN A 14 3.931 -8.154 -9.153 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.929 -6.810 -7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.321 -7.539 -6.571 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.716 -5.166 -6.991 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.841 -6.147 -7.909 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.564 -4.541 -8.373 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.896 -4.106 -10.053 1.00 0.00 H new ATOM 231 N PRO A 15 4.078 -10.153 -7.491 1.00 0.00 N ATOM 232 CA PRO A 15 4.202 -11.538 -7.008 1.00 0.00 C ATOM 233 C PRO A 15 3.399 -11.864 -5.741 1.00 0.00 C ATOM 234 O PRO A 15 3.408 -12.996 -5.263 1.00 0.00 O ATOM 235 CB PRO A 15 5.708 -11.767 -6.804 1.00 0.00 C ATOM 236 CG PRO A 15 6.316 -10.367 -6.685 1.00 0.00 C ATOM 237 CD PRO A 15 5.382 -9.500 -7.517 1.00 0.00 C ATOM 0 HA PRO A 15 3.767 -12.215 -7.744 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.898 -12.356 -5.907 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.140 -12.314 -7.642 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.355 -10.034 -5.648 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.336 -10.339 -7.068 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.319 -8.492 -7.106 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.748 -9.405 -8.539 1.00 0.00 H new ATOM 245 N ASN A 16 2.712 -10.875 -5.178 1.00 0.00 N ATOM 246 CA ASN A 16 2.151 -10.904 -3.837 1.00 0.00 C ATOM 247 C ASN A 16 0.634 -10.916 -3.885 1.00 0.00 C ATOM 248 O ASN A 16 0.014 -11.155 -2.859 1.00 0.00 O ATOM 249 CB ASN A 16 2.656 -9.679 -3.050 1.00 0.00 C ATOM 250 CG ASN A 16 4.151 -9.468 -3.274 1.00 0.00 C ATOM 251 OD1 ASN A 16 4.978 -10.313 -2.952 1.00 0.00 O ATOM 252 ND2 ASN A 16 4.507 -8.407 -3.980 1.00 0.00 N ATOM 0 H ASN A 16 2.525 -9.998 -5.665 1.00 0.00 H new ATOM 0 HA ASN A 16 2.474 -11.816 -3.336 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.108 -8.790 -3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.459 -9.818 -1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.479 -8.285 -4.263 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.809 -7.711 -4.242 1.00 0.00 H new ATOM 259 N HIS A 17 0.019 -10.687 -5.049 1.00 0.00 N ATOM 260 CA HIS A 17 -1.426 -10.543 -5.183 1.00 0.00 C ATOM 261 C HIS A 17 -2.167 -11.775 -4.641 1.00 0.00 C ATOM 262 O HIS A 17 -3.262 -11.630 -4.105 1.00 0.00 O ATOM 263 CB HIS A 17 -1.739 -10.267 -6.662 1.00 0.00 C ATOM 264 CG HIS A 17 -3.088 -9.659 -6.963 1.00 0.00 C ATOM 265 ND1 HIS A 17 -3.315 -8.477 -7.643 1.00 0.00 N ATOM 266 CD2 HIS A 17 -4.306 -10.224 -6.703 1.00 0.00 C ATOM 267 CE1 HIS A 17 -4.649 -8.320 -7.752 1.00 0.00 C ATOM 268 NE2 HIS A 17 -5.286 -9.381 -7.226 1.00 0.00 N ATOM 0 H HIS A 17 0.520 -10.596 -5.933 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.780 -9.706 -4.582 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.970 -9.602 -7.055 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.658 -11.206 -7.209 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.478 -11.156 -6.185 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.136 -7.465 -8.198 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.294 -9.539 -7.212 1.00 0.00 H new ATOM 276 N LYS A 18 -1.577 -12.980 -4.699 1.00 0.00 N ATOM 277 CA LYS A 18 -2.232 -14.191 -4.194 1.00 0.00 C ATOM 278 C LYS A 18 -2.721 -14.098 -2.753 1.00 0.00 C ATOM 279 O LYS A 18 -3.697 -14.752 -2.410 1.00 0.00 O ATOM 280 CB LYS A 18 -1.360 -15.439 -4.368 1.00 0.00 C ATOM 281 CG LYS A 18 -0.131 -15.587 -3.442 1.00 0.00 C ATOM 282 CD LYS A 18 1.180 -15.046 -4.023 1.00 0.00 C ATOM 283 CE LYS A 18 2.294 -16.084 -3.831 1.00 0.00 C ATOM 284 NZ LYS A 18 3.526 -15.731 -4.557 1.00 0.00 N ATOM 0 H LYS A 18 -0.649 -13.138 -5.091 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.121 -14.284 -4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.994 -16.314 -4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.008 -15.462 -5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.336 -15.072 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.002 -16.642 -3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.055 -14.823 -5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.450 -14.112 -3.530 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.517 -16.180 -2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.942 -17.057 -4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.353 -15.973 -3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.566 -16.260 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.530 -14.711 -4.758 1.00 0.00 H new ATOM 298 N VAL A 19 -2.091 -13.279 -1.914 1.00 0.00 N ATOM 299 CA VAL A 19 -2.357 -13.270 -0.483 1.00 0.00 C ATOM 300 C VAL A 19 -3.755 -12.719 -0.147 1.00 0.00 C ATOM 301 O VAL A 19 -4.202 -12.880 0.992 1.00 0.00 O ATOM 302 CB VAL A 19 -1.201 -12.542 0.233 1.00 0.00 C ATOM 303 CG1 VAL A 19 0.154 -13.186 -0.133 1.00 0.00 C ATOM 304 CG2 VAL A 19 -1.172 -11.045 -0.052 1.00 0.00 C ATOM 0 H VAL A 19 -1.384 -12.606 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.387 -14.294 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.378 -12.654 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.958 -12.659 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.153 -14.233 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.309 -13.121 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.337 -10.589 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.053 -10.881 -1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.105 -10.593 0.283 1.00 0.00 H new ATOM 314 N MET A 20 -4.462 -12.115 -1.117 1.00 0.00 N ATOM 315 CA MET A 20 -5.866 -11.689 -1.030 1.00 0.00 C ATOM 316 C MET A 20 -6.836 -12.638 -1.762 1.00 0.00 C ATOM 317 O MET A 20 -8.044 -12.393 -1.799 1.00 0.00 O ATOM 318 CB MET A 20 -6.021 -10.248 -1.535 1.00 0.00 C ATOM 319 CG MET A 20 -5.725 -10.051 -3.025 1.00 0.00 C ATOM 320 SD MET A 20 -6.548 -8.629 -3.785 1.00 0.00 S ATOM 321 CE MET A 20 -6.224 -7.360 -2.535 1.00 0.00 C ATOM 0 H MET A 20 -4.049 -11.901 -2.025 1.00 0.00 H new ATOM 0 HA MET A 20 -6.141 -11.730 0.024 1.00 0.00 H new ATOM 0 HB2 MET A 20 -7.040 -9.916 -1.335 1.00 0.00 H new ATOM 0 HB3 MET A 20 -5.357 -9.603 -0.959 1.00 0.00 H new ATOM 0 HG2 MET A 20 -4.648 -9.941 -3.155 1.00 0.00 H new ATOM 0 HG3 MET A 20 -6.021 -10.953 -3.561 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.022 -6.408 -3.027 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.095 -7.256 -1.888 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.360 -7.650 -1.937 1.00 0.00 H new ATOM 331 N LEU A 21 -6.319 -13.700 -2.385 1.00 0.00 N ATOM 332 CA LEU A 21 -7.072 -14.688 -3.156 1.00 0.00 C ATOM 333 C LEU A 21 -7.262 -15.978 -2.346 1.00 0.00 C ATOM 334 O LEU A 21 -7.759 -16.976 -2.877 1.00 0.00 O ATOM 335 CB LEU A 21 -6.343 -15.011 -4.472 1.00 0.00 C ATOM 336 CG LEU A 21 -5.952 -13.812 -5.353 1.00 0.00 C ATOM 337 CD1 LEU A 21 -5.303 -14.334 -6.638 1.00 0.00 C ATOM 338 CD2 LEU A 21 -7.135 -12.910 -5.707 1.00 0.00 C ATOM 0 H LEU A 21 -5.319 -13.902 -2.364 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.051 -14.264 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.437 -15.568 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.978 -15.674 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.256 -13.201 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.021 -13.493 -7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.414 -14.913 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.011 -14.968 -7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.790 -12.085 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.882 -13.487 -6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.577 -12.515 -4.793 1.00 0.00 H new ATOM 350 N ASP A 22 -6.826 -15.995 -1.089 1.00 0.00 N ATOM 351 CA ASP A 22 -6.764 -17.147 -0.200 1.00 0.00 C ATOM 352 C ASP A 22 -7.700 -16.813 0.959 1.00 0.00 C ATOM 353 O ASP A 22 -7.265 -16.350 2.010 1.00 0.00 O ATOM 354 CB ASP A 22 -5.323 -17.406 0.285 1.00 0.00 C ATOM 355 CG ASP A 22 -4.302 -17.858 -0.773 1.00 0.00 C ATOM 356 OD1 ASP A 22 -4.692 -18.579 -1.730 1.00 0.00 O ATOM 357 OD2 ASP A 22 -3.104 -17.532 -0.599 1.00 0.00 O ATOM 0 H ASP A 22 -6.485 -15.147 -0.637 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.068 -18.064 -0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.951 -16.491 0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.360 -18.165 1.067 1.00 0.00 H new ATOM 362 N HIS A 23 -9.005 -16.952 0.735 1.00 0.00 N ATOM 363 CA HIS A 23 -10.089 -16.426 1.577 1.00 0.00 C ATOM 364 C HIS A 23 -10.062 -16.942 3.036 1.00 0.00 C ATOM 365 O HIS A 23 -10.664 -16.328 3.918 1.00 0.00 O ATOM 366 CB HIS A 23 -11.404 -16.739 0.852 1.00 0.00 C ATOM 367 CG HIS A 23 -12.679 -16.248 1.492 1.00 0.00 C ATOM 368 ND1 HIS A 23 -13.864 -16.944 1.481 1.00 0.00 N ATOM 369 CD2 HIS A 23 -12.931 -15.018 2.047 1.00 0.00 C ATOM 370 CE1 HIS A 23 -14.808 -16.166 2.026 1.00 0.00 C ATOM 371 NE2 HIS A 23 -14.283 -14.990 2.400 1.00 0.00 N ATOM 0 H HIS A 23 -9.357 -17.459 -0.077 1.00 0.00 H new ATOM 0 HA HIS A 23 -9.966 -15.350 1.701 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.345 -16.317 -0.151 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.478 -17.821 0.739 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -12.217 -14.220 2.185 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.844 -16.446 2.147 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -14.776 -14.222 2.855 1.00 0.00 H new ATOM 379 N SER A 24 -9.309 -18.009 3.342 1.00 0.00 N ATOM 380 CA SER A 24 -9.006 -18.378 4.727 1.00 0.00 C ATOM 381 C SER A 24 -8.233 -17.273 5.461 1.00 0.00 C ATOM 382 O SER A 24 -8.469 -17.051 6.647 1.00 0.00 O ATOM 383 CB SER A 24 -8.245 -19.695 4.798 1.00 0.00 C ATOM 384 OG SER A 24 -9.132 -20.799 4.791 1.00 0.00 O ATOM 0 H SER A 24 -8.899 -18.631 2.645 1.00 0.00 H new ATOM 0 HA SER A 24 -9.963 -18.506 5.233 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.561 -19.769 3.953 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.637 -19.719 5.703 1.00 0.00 H new ATOM 0 HG SER A 24 -8.618 -21.632 4.836 1.00 0.00 H new ATOM 390 N HIS A 25 -7.318 -16.574 4.783 1.00 0.00 N ATOM 391 CA HIS A 25 -6.598 -15.444 5.359 1.00 0.00 C ATOM 392 C HIS A 25 -7.560 -14.287 5.653 1.00 0.00 C ATOM 393 O HIS A 25 -7.321 -13.519 6.576 1.00 0.00 O ATOM 394 CB HIS A 25 -5.507 -14.953 4.397 1.00 0.00 C ATOM 395 CG HIS A 25 -4.449 -15.945 3.964 1.00 0.00 C ATOM 396 ND1 HIS A 25 -3.640 -15.787 2.862 1.00 0.00 N ATOM 397 CD2 HIS A 25 -4.101 -17.130 4.562 1.00 0.00 C ATOM 398 CE1 HIS A 25 -2.866 -16.881 2.759 1.00 0.00 C ATOM 399 NE2 HIS A 25 -3.097 -17.721 3.781 1.00 0.00 N ATOM 0 H HIS A 25 -7.058 -16.779 3.818 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.138 -15.780 6.289 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.997 -14.573 3.500 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.002 -14.108 4.866 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.524 -17.534 5.470 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.157 -17.060 1.964 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -2.634 -18.613 3.955 1.00 0.00 H new ATOM 407 N GLY A 26 -8.649 -14.154 4.891 1.00 0.00 N ATOM 408 CA GLY A 26 -9.661 -13.133 5.087 1.00 0.00 C ATOM 409 C GLY A 26 -10.223 -12.655 3.759 1.00 0.00 C ATOM 410 O GLY A 26 -9.860 -13.162 2.697 1.00 0.00 O ATOM 0 H GLY A 26 -8.849 -14.772 4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.467 -13.530 5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.231 -12.290 5.628 1.00 0.00 H new ATOM 414 N LEU A 27 -11.138 -11.692 3.821 1.00 0.00 N ATOM 415 CA LEU A 27 -11.879 -11.201 2.672 1.00 0.00 C ATOM 416 C LEU A 27 -11.243 -9.951 2.074 1.00 0.00 C ATOM 417 O LEU A 27 -10.808 -9.066 2.810 1.00 0.00 O ATOM 418 CB LEU A 27 -13.294 -10.869 3.144 1.00 0.00 C ATOM 419 CG LEU A 27 -14.239 -10.448 2.010 1.00 0.00 C ATOM 420 CD1 LEU A 27 -14.393 -11.574 0.988 1.00 0.00 C ATOM 421 CD2 LEU A 27 -15.594 -10.119 2.622 1.00 0.00 C ATOM 0 H LEU A 27 -11.388 -11.224 4.692 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.880 -11.967 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.712 -11.739 3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.243 -10.066 3.880 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.829 -9.579 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.067 -11.254 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.419 -11.815 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.803 -12.457 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.285 -9.816 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.987 -10.999 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.482 -9.306 3.339 1.00 0.00 H new ATOM 433 N ALA A 28 -11.303 -9.817 0.748 1.00 0.00 N ATOM 434 CA ALA A 28 -11.072 -8.574 0.033 1.00 0.00 C ATOM 435 C ALA A 28 -12.144 -8.440 -1.060 1.00 0.00 C ATOM 436 O ALA A 28 -12.604 -9.450 -1.605 1.00 0.00 O ATOM 437 CB ALA A 28 -9.640 -8.605 -0.512 1.00 0.00 C ATOM 0 H ALA A 28 -11.521 -10.598 0.129 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.159 -7.696 0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.437 -7.682 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.938 -8.701 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.525 -9.455 -1.185 1.00 0.00 H new ATOM 443 N ALA A 29 -12.566 -7.215 -1.380 1.00 0.00 N ATOM 444 CA ALA A 29 -13.565 -6.899 -2.399 1.00 0.00 C ATOM 445 C ALA A 29 -13.216 -5.569 -3.066 1.00 0.00 C ATOM 446 O ALA A 29 -12.899 -4.609 -2.363 1.00 0.00 O ATOM 447 CB ALA A 29 -14.950 -6.791 -1.749 1.00 0.00 C ATOM 0 H ALA A 29 -12.205 -6.382 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.575 -7.691 -3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.692 -6.555 -2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.205 -7.739 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.939 -6.002 -0.997 1.00 0.00 H new ATOM 453 N PHE A 30 -13.279 -5.500 -4.398 1.00 0.00 N ATOM 454 CA PHE A 30 -12.998 -4.294 -5.180 1.00 0.00 C ATOM 455 C PHE A 30 -14.085 -3.232 -4.925 1.00 0.00 C ATOM 456 O PHE A 30 -15.120 -3.213 -5.595 1.00 0.00 O ATOM 457 CB PHE A 30 -12.869 -4.677 -6.670 1.00 0.00 C ATOM 458 CG PHE A 30 -12.119 -3.686 -7.550 1.00 0.00 C ATOM 459 CD1 PHE A 30 -12.502 -2.332 -7.618 1.00 0.00 C ATOM 460 CD2 PHE A 30 -11.017 -4.123 -8.314 1.00 0.00 C ATOM 461 CE1 PHE A 30 -11.774 -1.424 -8.404 1.00 0.00 C ATOM 462 CE2 PHE A 30 -10.326 -3.224 -9.144 1.00 0.00 C ATOM 463 CZ PHE A 30 -10.699 -1.873 -9.186 1.00 0.00 C ATOM 0 H PHE A 30 -13.533 -6.301 -4.976 1.00 0.00 H new ATOM 0 HA PHE A 30 -12.052 -3.849 -4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.367 -5.642 -6.735 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.871 -4.810 -7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -13.362 -1.990 -7.061 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.702 -5.155 -8.261 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.042 -0.378 -8.407 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.505 -3.575 -9.752 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.161 -1.181 -9.817 1.00 0.00 H new ATOM 473 N ARG A 31 -13.867 -2.327 -3.973 1.00 0.00 N ATOM 474 CA ARG A 31 -14.808 -1.298 -3.532 1.00 0.00 C ATOM 475 C ARG A 31 -14.270 0.061 -3.977 1.00 0.00 C ATOM 476 O ARG A 31 -13.937 0.928 -3.174 1.00 0.00 O ATOM 477 CB ARG A 31 -14.968 -1.447 -2.010 1.00 0.00 C ATOM 478 CG ARG A 31 -16.011 -0.521 -1.373 1.00 0.00 C ATOM 479 CD ARG A 31 -17.446 -0.964 -1.610 1.00 0.00 C ATOM 480 NE ARG A 31 -17.866 -2.100 -0.781 1.00 0.00 N ATOM 481 CZ ARG A 31 -18.497 -3.177 -1.253 1.00 0.00 C ATOM 482 NH1 ARG A 31 -18.834 -3.252 -2.535 1.00 0.00 N ATOM 483 NH2 ARG A 31 -18.789 -4.175 -0.432 1.00 0.00 N ATOM 0 H ARG A 31 -12.985 -2.289 -3.462 1.00 0.00 H new ATOM 0 HA ARG A 31 -15.800 -1.397 -3.974 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -15.237 -2.480 -1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.003 -1.261 -1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.829 -0.467 -0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.881 0.486 -1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.111 -0.122 -1.418 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.564 -1.231 -2.660 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.663 -2.064 0.218 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -18.611 -2.483 -3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -19.316 -4.079 -2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.532 -4.117 0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.271 -5.002 -0.785 1.00 0.00 H new ATOM 497 N GLY A 32 -14.205 0.250 -5.289 1.00 0.00 N ATOM 498 CA GLY A 32 -13.867 1.509 -5.907 1.00 0.00 C ATOM 499 C GLY A 32 -12.375 1.653 -6.151 1.00 0.00 C ATOM 500 O GLY A 32 -11.556 0.786 -5.827 1.00 0.00 O ATOM 0 H GLY A 32 -14.392 -0.492 -5.963 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.398 1.599 -6.855 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.209 2.326 -5.271 1.00 0.00 H new ATOM 504 N ARG A 33 -12.011 2.789 -6.737 1.00 0.00 N ATOM 505 CA ARG A 33 -10.618 3.184 -6.931 1.00 0.00 C ATOM 506 C ARG A 33 -10.361 4.548 -6.339 1.00 0.00 C ATOM 507 O ARG A 33 -11.290 5.309 -6.076 1.00 0.00 O ATOM 508 CB ARG A 33 -10.238 3.145 -8.416 1.00 0.00 C ATOM 509 CG ARG A 33 -9.583 1.808 -8.766 1.00 0.00 C ATOM 510 CD ARG A 33 -9.299 1.681 -10.255 1.00 0.00 C ATOM 511 NE ARG A 33 -8.276 2.634 -10.696 1.00 0.00 N ATOM 512 CZ ARG A 33 -8.046 2.939 -11.976 1.00 0.00 C ATOM 513 NH1 ARG A 33 -8.816 2.410 -12.923 1.00 0.00 N ATOM 514 NH2 ARG A 33 -7.058 3.769 -12.296 1.00 0.00 N ATOM 0 H ARG A 33 -12.681 3.469 -7.095 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.986 2.466 -6.408 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.127 3.293 -9.029 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.554 3.963 -8.644 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.651 1.705 -8.210 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.234 0.993 -8.451 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.970 0.666 -10.477 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.218 1.849 -10.816 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.707 3.091 -9.984 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.575 1.777 -12.669 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.648 2.637 -13.903 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.475 4.174 -11.564 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.883 4.001 -13.274 1.00 0.00 H new ATOM 528 N GLY A 34 -9.084 4.885 -6.176 1.00 0.00 N ATOM 529 CA GLY A 34 -8.734 6.170 -5.630 1.00 0.00 C ATOM 530 C GLY A 34 -7.253 6.452 -5.654 1.00 0.00 C ATOM 531 O GLY A 34 -6.437 5.603 -6.019 1.00 0.00 O ATOM 0 H GLY A 34 -8.292 4.287 -6.414 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.253 6.947 -6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.090 6.228 -4.601 1.00 0.00 H new ATOM 535 N CYS A 35 -6.919 7.662 -5.230 1.00 0.00 N ATOM 536 CA CYS A 35 -5.554 8.143 -5.117 1.00 0.00 C ATOM 537 C CYS A 35 -5.417 8.938 -3.825 1.00 0.00 C ATOM 538 O CYS A 35 -6.288 9.760 -3.524 1.00 0.00 O ATOM 539 CB CYS A 35 -5.244 9.048 -6.300 1.00 0.00 C ATOM 540 SG CYS A 35 -5.454 8.192 -7.888 1.00 0.00 S ATOM 0 H CYS A 35 -7.612 8.355 -4.947 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.861 7.301 -5.109 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.897 9.920 -6.270 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.220 9.413 -6.218 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.179 9.009 -8.861 1.00 0.00 H new ATOM 546 N THR A 36 -4.364 8.691 -3.048 1.00 0.00 N ATOM 547 CA THR A 36 -4.094 9.437 -1.827 1.00 0.00 C ATOM 548 C THR A 36 -3.835 10.893 -2.212 1.00 0.00 C ATOM 549 O THR A 36 -2.765 11.206 -2.725 1.00 0.00 O ATOM 550 CB THR A 36 -2.910 8.806 -1.078 1.00 0.00 C ATOM 551 OG1 THR A 36 -1.937 8.265 -1.942 1.00 0.00 O ATOM 552 CG2 THR A 36 -3.330 7.619 -0.240 1.00 0.00 C ATOM 0 H THR A 36 -3.675 7.967 -3.250 1.00 0.00 H new ATOM 0 HA THR A 36 -4.945 9.403 -1.147 1.00 0.00 H new ATOM 0 HB THR A 36 -2.520 9.632 -0.483 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.139 8.024 -1.426 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.459 7.207 0.270 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.066 7.937 0.498 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.768 6.856 -0.884 1.00 0.00 H new ATOM 560 N VAL A 37 -4.834 11.761 -2.042 1.00 0.00 N ATOM 561 CA VAL A 37 -4.694 13.179 -2.366 1.00 0.00 C ATOM 562 C VAL A 37 -3.820 13.887 -1.336 1.00 0.00 C ATOM 563 O VAL A 37 -3.190 14.903 -1.634 1.00 0.00 O ATOM 564 CB VAL A 37 -6.059 13.863 -2.506 1.00 0.00 C ATOM 565 CG1 VAL A 37 -6.493 13.754 -3.971 1.00 0.00 C ATOM 566 CG2 VAL A 37 -7.161 13.357 -1.557 1.00 0.00 C ATOM 0 H VAL A 37 -5.752 11.504 -1.680 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.198 13.251 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.926 14.901 -2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.463 14.234 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.757 14.247 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.568 12.703 -4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.082 13.909 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.333 12.295 -1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.849 13.508 -0.524 1.00 0.00 H new ATOM 576 N GLU A 38 -3.731 13.331 -0.129 1.00 0.00 N ATOM 577 CA GLU A 38 -2.567 13.511 0.715 1.00 0.00 C ATOM 578 C GLU A 38 -1.370 12.948 -0.042 1.00 0.00 C ATOM 579 O GLU A 38 -1.166 11.735 -0.100 1.00 0.00 O ATOM 580 CB GLU A 38 -2.764 12.832 2.076 1.00 0.00 C ATOM 581 CG GLU A 38 -3.499 13.800 3.017 1.00 0.00 C ATOM 582 CD GLU A 38 -4.212 13.181 4.227 1.00 0.00 C ATOM 583 OE1 GLU A 38 -4.143 11.954 4.423 1.00 0.00 O ATOM 584 OE2 GLU A 38 -4.848 13.959 4.977 1.00 0.00 O ATOM 0 H GLU A 38 -4.461 12.749 0.282 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.402 14.567 0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.338 11.913 1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.800 12.554 2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.778 14.530 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.237 14.348 2.432 1.00 0.00 H new ATOM 591 N SER A 39 -0.587 13.836 -0.648 1.00 0.00 N ATOM 592 CA SER A 39 0.716 13.494 -1.186 1.00 0.00 C ATOM 593 C SER A 39 1.532 12.905 -0.033 1.00 0.00 C ATOM 594 O SER A 39 1.472 13.447 1.073 1.00 0.00 O ATOM 595 CB SER A 39 1.398 14.741 -1.755 1.00 0.00 C ATOM 596 OG SER A 39 0.507 15.549 -2.503 1.00 0.00 O ATOM 0 H SER A 39 -0.844 14.815 -0.778 1.00 0.00 H new ATOM 0 HA SER A 39 0.629 12.774 -2.000 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.817 15.328 -0.938 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.231 14.439 -2.390 1.00 0.00 H new ATOM 0 HG SER A 39 0.985 16.333 -2.845 1.00 0.00 H new ATOM 602 N PHE A 40 2.274 11.826 -0.268 1.00 0.00 N ATOM 603 CA PHE A 40 3.026 11.151 0.778 1.00 0.00 C ATOM 604 C PHE A 40 4.396 10.783 0.154 1.00 0.00 C ATOM 605 O PHE A 40 4.531 10.672 -1.070 1.00 0.00 O ATOM 606 CB PHE A 40 2.263 9.872 1.166 1.00 0.00 C ATOM 607 CG PHE A 40 1.097 9.950 2.144 1.00 0.00 C ATOM 608 CD1 PHE A 40 1.266 10.380 3.473 1.00 0.00 C ATOM 609 CD2 PHE A 40 -0.168 9.481 1.737 1.00 0.00 C ATOM 610 CE1 PHE A 40 0.191 10.321 4.385 1.00 0.00 C ATOM 611 CE2 PHE A 40 -1.242 9.432 2.637 1.00 0.00 C ATOM 612 CZ PHE A 40 -1.064 9.829 3.970 1.00 0.00 C ATOM 0 H PHE A 40 2.369 11.398 -1.189 1.00 0.00 H new ATOM 0 HA PHE A 40 3.158 11.768 1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.885 9.427 0.245 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.990 9.174 1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.225 10.758 3.797 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.312 9.155 0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.329 10.653 5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.209 9.087 2.303 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.881 9.759 4.673 1.00 0.00 H new ATOM 622 N PRO A 41 5.434 10.596 0.980 1.00 0.00 N ATOM 623 CA PRO A 41 6.786 10.192 0.587 1.00 0.00 C ATOM 624 C PRO A 41 6.855 8.692 0.256 1.00 0.00 C ATOM 625 O PRO A 41 7.040 7.870 1.154 1.00 0.00 O ATOM 626 CB PRO A 41 7.671 10.506 1.809 1.00 0.00 C ATOM 627 CG PRO A 41 6.682 10.445 2.963 1.00 0.00 C ATOM 628 CD PRO A 41 5.393 10.957 2.378 1.00 0.00 C ATOM 0 HA PRO A 41 7.109 10.719 -0.311 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.474 9.778 1.925 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.139 11.487 1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.572 9.428 3.339 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.010 11.060 3.801 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.532 10.509 2.874 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.307 12.036 2.502 1.00 0.00 H new ATOM 636 N LEU A 42 6.728 8.308 -1.015 1.00 0.00 N ATOM 637 CA LEU A 42 6.901 6.916 -1.433 1.00 0.00 C ATOM 638 C LEU A 42 8.341 6.679 -1.868 1.00 0.00 C ATOM 639 O LEU A 42 8.743 7.248 -2.879 1.00 0.00 O ATOM 640 CB LEU A 42 5.913 6.590 -2.566 1.00 0.00 C ATOM 641 CG LEU A 42 6.158 5.210 -3.209 1.00 0.00 C ATOM 642 CD1 LEU A 42 6.135 4.096 -2.152 1.00 0.00 C ATOM 643 CD2 LEU A 42 5.107 4.950 -4.299 1.00 0.00 C ATOM 0 H LEU A 42 6.504 8.947 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 42 6.690 6.252 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.897 6.625 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.985 7.359 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 42 7.148 5.210 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.310 3.134 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.915 4.280 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.163 4.083 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.285 3.974 -4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.111 4.969 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.179 5.722 -5.065 1.00 0.00 H new ATOM 655 N VAL A 43 9.110 5.851 -1.154 1.00 0.00 N ATOM 656 CA VAL A 43 10.542 5.665 -1.412 1.00 0.00 C ATOM 657 C VAL A 43 10.886 4.176 -1.469 1.00 0.00 C ATOM 658 O VAL A 43 10.313 3.397 -0.709 1.00 0.00 O ATOM 659 CB VAL A 43 11.361 6.401 -0.333 1.00 0.00 C ATOM 660 CG1 VAL A 43 11.096 7.906 -0.399 1.00 0.00 C ATOM 661 CG2 VAL A 43 11.092 5.925 1.104 1.00 0.00 C ATOM 0 H VAL A 43 8.757 5.290 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 43 10.796 6.092 -2.382 1.00 0.00 H new ATOM 0 HB VAL A 43 12.401 6.168 -0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.681 8.412 0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.382 8.283 -1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.036 8.096 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.709 6.495 1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.040 6.076 1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.336 4.866 1.188 1.00 0.00 H new ATOM 671 N ILE A 44 11.816 3.769 -2.344 1.00 0.00 N ATOM 672 CA ILE A 44 12.221 2.373 -2.533 1.00 0.00 C ATOM 673 C ILE A 44 13.494 2.157 -1.719 1.00 0.00 C ATOM 674 O ILE A 44 14.555 2.666 -2.086 1.00 0.00 O ATOM 675 CB ILE A 44 12.394 2.010 -4.030 1.00 0.00 C ATOM 676 CG1 ILE A 44 11.111 2.385 -4.817 1.00 0.00 C ATOM 677 CG2 ILE A 44 12.700 0.496 -4.174 1.00 0.00 C ATOM 678 CD1 ILE A 44 11.204 2.203 -6.331 1.00 0.00 C ATOM 0 H ILE A 44 12.317 4.417 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 44 11.440 1.700 -2.179 1.00 0.00 H new ATOM 0 HB ILE A 44 13.231 2.574 -4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.285 1.780 -4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.865 3.426 -4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.820 0.248 -5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.619 0.258 -3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.876 -0.083 -3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.259 2.491 -6.791 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.005 2.829 -6.724 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.415 1.158 -6.560 1.00 0.00 H new ATOM 690 N ALA A 45 13.406 1.408 -0.621 1.00 0.00 N ATOM 691 CA ALA A 45 14.537 1.120 0.248 1.00 0.00 C ATOM 692 C ALA A 45 14.819 -0.386 0.274 1.00 0.00 C ATOM 693 O ALA A 45 14.129 -1.176 -0.373 1.00 0.00 O ATOM 694 CB ALA A 45 14.249 1.671 1.647 1.00 0.00 C ATOM 0 H ALA A 45 12.534 0.980 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 45 15.434 1.608 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.093 1.458 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.097 2.749 1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.351 1.199 2.046 1.00 0.00 H new ATOM 700 N GLY A 46 15.836 -0.751 1.050 1.00 0.00 N ATOM 701 CA GLY A 46 16.122 -2.091 1.519 1.00 0.00 C ATOM 702 C GLY A 46 16.673 -3.052 0.463 1.00 0.00 C ATOM 703 O GLY A 46 16.530 -2.866 -0.747 1.00 0.00 O ATOM 0 H GLY A 46 16.520 -0.073 1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 46 16.840 -2.026 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.207 -2.517 1.931 1.00 0.00 H new ATOM 707 N GLU A 47 17.281 -4.120 0.965 1.00 0.00 N ATOM 708 CA GLU A 47 18.067 -5.116 0.252 1.00 0.00 C ATOM 709 C GLU A 47 17.265 -5.957 -0.742 1.00 0.00 C ATOM 710 O GLU A 47 17.849 -6.525 -1.673 1.00 0.00 O ATOM 711 CB GLU A 47 18.757 -6.039 1.266 1.00 0.00 C ATOM 712 CG GLU A 47 19.695 -5.348 2.281 1.00 0.00 C ATOM 713 CD GLU A 47 18.993 -4.861 3.562 1.00 0.00 C ATOM 714 OE1 GLU A 47 18.246 -3.856 3.514 1.00 0.00 O ATOM 715 OE2 GLU A 47 19.188 -5.477 4.636 1.00 0.00 O ATOM 0 H GLU A 47 17.232 -4.327 1.963 1.00 0.00 H new ATOM 0 HA GLU A 47 18.796 -4.563 -0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.988 -6.577 1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 47 19.334 -6.783 0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 47 20.488 -6.043 2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.172 -4.496 1.796 1.00 0.00 H new ATOM 722 N HIS A 48 15.945 -6.058 -0.561 1.00 0.00 N ATOM 723 CA HIS A 48 15.052 -6.758 -1.476 1.00 0.00 C ATOM 724 C HIS A 48 14.146 -5.788 -2.241 1.00 0.00 C ATOM 725 O HIS A 48 13.177 -6.245 -2.854 1.00 0.00 O ATOM 726 CB HIS A 48 14.228 -7.821 -0.727 1.00 0.00 C ATOM 727 CG HIS A 48 14.917 -9.140 -0.556 1.00 0.00 C ATOM 728 ND1 HIS A 48 14.976 -10.166 -1.478 1.00 0.00 N ATOM 729 CD2 HIS A 48 15.515 -9.564 0.592 1.00 0.00 C ATOM 730 CE1 HIS A 48 15.627 -11.187 -0.896 1.00 0.00 C ATOM 731 NE2 HIS A 48 15.973 -10.863 0.360 1.00 0.00 N ATOM 0 H HIS A 48 15.464 -5.648 0.239 1.00 0.00 H new ATOM 0 HA HIS A 48 15.670 -7.267 -2.216 1.00 0.00 H new ATOM 0 HB2 HIS A 48 13.967 -7.432 0.257 1.00 0.00 H new ATOM 0 HB3 HIS A 48 13.293 -7.982 -1.264 1.00 0.00 H new ATOM 0 HD1 HIS A 48 14.596 -10.152 -2.425 1.00 0.00 H new ATOM 0 HD2 HIS A 48 15.616 -9.002 1.509 1.00 0.00 H new ATOM 0 HE1 HIS A 48 15.841 -12.133 -1.371 1.00 0.00 H new ATOM 739 N ASN A 49 14.434 -4.475 -2.219 1.00 0.00 N ATOM 740 CA ASN A 49 13.645 -3.453 -2.888 1.00 0.00 C ATOM 741 C ASN A 49 12.235 -3.484 -2.310 1.00 0.00 C ATOM 742 O ASN A 49 11.254 -3.797 -2.986 1.00 0.00 O ATOM 743 CB ASN A 49 13.693 -3.623 -4.412 1.00 0.00 C ATOM 744 CG ASN A 49 15.103 -3.849 -4.930 1.00 0.00 C ATOM 745 OD1 ASN A 49 15.566 -4.976 -5.104 1.00 0.00 O ATOM 746 ND2 ASN A 49 15.860 -2.785 -5.128 1.00 0.00 N ATOM 0 H ASN A 49 15.241 -4.098 -1.722 1.00 0.00 H new ATOM 0 HA ASN A 49 14.062 -2.463 -2.705 1.00 0.00 H new ATOM 0 HB2 ASN A 49 13.065 -4.466 -4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 49 13.273 -2.736 -4.886 1.00 0.00 H new ATOM 0 HD21 ASN A 49 16.829 -2.897 -5.425 1.00 0.00 H new ATOM 0 HD22 ASN A 49 15.475 -1.851 -4.984 1.00 0.00 H new ATOM 753 N ILE A 50 12.162 -3.158 -1.023 1.00 0.00 N ATOM 754 CA ILE A 50 10.974 -3.049 -0.198 1.00 0.00 C ATOM 755 C ILE A 50 10.734 -1.552 -0.029 1.00 0.00 C ATOM 756 O ILE A 50 11.379 -0.926 0.812 1.00 0.00 O ATOM 757 CB ILE A 50 11.145 -3.803 1.136 1.00 0.00 C ATOM 758 CG1 ILE A 50 11.440 -5.284 0.831 1.00 0.00 C ATOM 759 CG2 ILE A 50 9.885 -3.688 2.009 1.00 0.00 C ATOM 760 CD1 ILE A 50 11.590 -6.128 2.092 1.00 0.00 C ATOM 0 H ILE A 50 13.006 -2.947 -0.491 1.00 0.00 H new ATOM 0 HA ILE A 50 10.104 -3.519 -0.657 1.00 0.00 H new ATOM 0 HB ILE A 50 11.972 -3.358 1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.635 -5.692 0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 50 12.354 -5.354 0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.038 -4.230 2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.688 -2.638 2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.034 -4.114 1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.797 -7.162 1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.413 -5.742 2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 50 10.667 -6.085 2.671 1.00 0.00 H new ATOM 772 N PRO A 51 10.009 -0.892 -0.940 1.00 0.00 N ATOM 773 CA PRO A 51 9.527 0.446 -0.672 1.00 0.00 C ATOM 774 C PRO A 51 8.729 0.540 0.632 1.00 0.00 C ATOM 775 O PRO A 51 8.067 -0.410 1.058 1.00 0.00 O ATOM 776 CB PRO A 51 8.707 0.876 -1.892 1.00 0.00 C ATOM 777 CG PRO A 51 8.689 -0.329 -2.836 1.00 0.00 C ATOM 778 CD PRO A 51 9.644 -1.357 -2.262 1.00 0.00 C ATOM 0 HA PRO A 51 10.368 1.123 -0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.695 1.159 -1.602 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.154 1.744 -2.376 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.683 -0.740 -2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.995 -0.037 -3.840 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.172 -2.338 -2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.526 -1.461 -2.893 1.00 0.00 H new ATOM 786 N TRP A 52 8.756 1.727 1.233 1.00 0.00 N ATOM 787 CA TRP A 52 8.008 2.074 2.433 1.00 0.00 C ATOM 788 C TRP A 52 7.289 3.379 2.157 1.00 0.00 C ATOM 789 O TRP A 52 7.624 4.092 1.201 1.00 0.00 O ATOM 790 CB TRP A 52 8.928 2.231 3.658 1.00 0.00 C ATOM 791 CG TRP A 52 9.837 1.078 3.941 1.00 0.00 C ATOM 792 CD1 TRP A 52 10.891 0.710 3.183 1.00 0.00 C ATOM 793 CD2 TRP A 52 9.799 0.120 5.038 1.00 0.00 C ATOM 794 NE1 TRP A 52 11.447 -0.446 3.683 1.00 0.00 N ATOM 795 CE2 TRP A 52 10.799 -0.868 4.811 1.00 0.00 C ATOM 796 CE3 TRP A 52 9.029 -0.019 6.207 1.00 0.00 C ATOM 797 CZ2 TRP A 52 10.988 -1.968 5.651 1.00 0.00 C ATOM 798 CZ3 TRP A 52 9.211 -1.118 7.061 1.00 0.00 C ATOM 799 CH2 TRP A 52 10.174 -2.105 6.783 1.00 0.00 C ATOM 0 H TRP A 52 9.321 2.500 0.883 1.00 0.00 H new ATOM 0 HA TRP A 52 7.305 1.274 2.666 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.537 3.124 3.519 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.306 2.403 4.536 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.246 1.243 2.313 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.243 -0.928 3.264 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.289 0.729 6.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.750 -2.701 5.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.601 -1.207 7.948 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.285 -2.959 7.435 1.00 0.00 H new ATOM 810 N LEU A 53 6.337 3.729 3.021 1.00 0.00 N ATOM 811 CA LEU A 53 5.584 4.938 2.861 1.00 0.00 C ATOM 812 C LEU A 53 5.436 5.544 4.219 1.00 0.00 C ATOM 813 O LEU A 53 4.983 4.917 5.178 1.00 0.00 O ATOM 814 CB LEU A 53 4.247 4.615 2.246 1.00 0.00 C ATOM 815 CG LEU A 53 3.415 5.833 1.864 1.00 0.00 C ATOM 816 CD1 LEU A 53 2.359 6.297 2.873 1.00 0.00 C ATOM 817 CD2 LEU A 53 4.113 6.946 1.109 1.00 0.00 C ATOM 0 H LEU A 53 6.080 3.177 3.839 1.00 0.00 H new ATOM 0 HA LEU A 53 6.083 5.645 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.408 4.008 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.676 4.007 2.948 1.00 0.00 H new ATOM 0 HG LEU A 53 2.809 5.379 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.839 7.170 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.642 5.494 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.844 6.557 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.403 7.747 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.934 7.335 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.505 6.558 0.169 1.00 0.00 H new ATOM 829 N LEU A 54 5.962 6.740 4.315 1.00 0.00 N ATOM 830 CA LEU A 54 6.123 7.399 5.579 1.00 0.00 C ATOM 831 C LEU A 54 4.936 8.310 5.780 1.00 0.00 C ATOM 832 O LEU A 54 4.369 8.833 4.816 1.00 0.00 O ATOM 833 CB LEU A 54 7.442 8.147 5.596 1.00 0.00 C ATOM 834 CG LEU A 54 8.642 7.382 5.011 1.00 0.00 C ATOM 835 CD1 LEU A 54 8.694 5.850 5.052 1.00 0.00 C ATOM 836 CD2 LEU A 54 9.270 7.937 3.747 1.00 0.00 C ATOM 0 H LEU A 54 6.290 7.281 3.515 1.00 0.00 H new ATOM 0 HA LEU A 54 6.155 6.686 6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.320 9.077 5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.673 8.419 6.626 1.00 0.00 H new ATOM 0 HG LEU A 54 9.291 7.648 5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.619 5.505 4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.657 5.512 6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.842 5.442 4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.103 7.302 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.526 7.961 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.634 8.947 3.935 1.00 0.00 H new ATOM 848 N TYR A 55 4.536 8.472 7.035 1.00 0.00 N ATOM 849 CA TYR A 55 3.359 9.262 7.323 1.00 0.00 C ATOM 850 C TYR A 55 3.701 10.754 7.257 1.00 0.00 C ATOM 851 O TYR A 55 4.083 11.366 8.257 1.00 0.00 O ATOM 852 CB TYR A 55 2.713 8.811 8.633 1.00 0.00 C ATOM 853 CG TYR A 55 1.338 9.422 8.780 1.00 0.00 C ATOM 854 CD1 TYR A 55 0.347 9.116 7.828 1.00 0.00 C ATOM 855 CD2 TYR A 55 1.066 10.326 9.817 1.00 0.00 C ATOM 856 CE1 TYR A 55 -0.921 9.717 7.897 1.00 0.00 C ATOM 857 CE2 TYR A 55 -0.203 10.928 9.896 1.00 0.00 C ATOM 858 CZ TYR A 55 -1.201 10.626 8.941 1.00 0.00 C ATOM 859 OH TYR A 55 -2.431 11.194 9.054 1.00 0.00 O ATOM 0 H TYR A 55 5.002 8.074 7.850 1.00 0.00 H new ATOM 0 HA TYR A 55 2.597 9.098 6.561 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.639 7.724 8.654 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.340 9.104 9.475 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.564 8.413 7.037 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.825 10.558 10.549 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.675 9.486 7.159 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.417 11.626 10.692 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.445 11.792 9.830 1.00 0.00 H new ATOM 869 N LEU A 56 3.612 11.331 6.052 1.00 0.00 N ATOM 870 CA LEU A 56 3.879 12.744 5.801 1.00 0.00 C ATOM 871 C LEU A 56 2.882 13.324 4.780 1.00 0.00 C ATOM 872 O LEU A 56 3.209 13.453 3.600 1.00 0.00 O ATOM 873 CB LEU A 56 5.344 12.958 5.447 1.00 0.00 C ATOM 874 CG LEU A 56 5.932 14.275 6.025 1.00 0.00 C ATOM 875 CD1 LEU A 56 6.584 14.946 4.846 1.00 0.00 C ATOM 876 CD2 LEU A 56 4.977 15.362 6.572 1.00 0.00 C ATOM 0 H LEU A 56 3.347 10.816 5.212 1.00 0.00 H new ATOM 0 HA LEU A 56 3.712 13.314 6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.927 12.115 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.451 12.966 4.362 1.00 0.00 H new ATOM 0 HG LEU A 56 6.531 13.955 6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.028 15.889 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.361 14.297 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.836 15.138 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.559 16.209 6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.310 15.694 5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.388 14.950 7.391 1.00 0.00 H new ATOM 888 N PRO A 57 1.646 13.620 5.214 1.00 0.00 N ATOM 889 CA PRO A 57 0.562 14.111 4.372 1.00 0.00 C ATOM 890 C PRO A 57 0.840 15.546 3.927 1.00 0.00 C ATOM 891 O PRO A 57 0.869 16.463 4.748 1.00 0.00 O ATOM 892 CB PRO A 57 -0.691 14.005 5.249 1.00 0.00 C ATOM 893 CG PRO A 57 -0.181 14.129 6.683 1.00 0.00 C ATOM 894 CD PRO A 57 1.246 13.591 6.613 1.00 0.00 C ATOM 0 HA PRO A 57 0.446 13.539 3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.405 14.794 5.014 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.203 13.055 5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.202 15.163 7.026 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.792 13.551 7.376 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.917 14.200 7.218 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.295 12.576 7.007 1.00 0.00 H new ATOM 902 N GLY A 58 1.013 15.743 2.622 1.00 0.00 N ATOM 903 CA GLY A 58 1.187 17.046 1.995 1.00 0.00 C ATOM 904 C GLY A 58 2.539 17.218 1.309 1.00 0.00 C ATOM 905 O GLY A 58 2.883 18.344 0.955 1.00 0.00 O ATOM 0 H GLY A 58 1.036 14.974 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.395 17.195 1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.071 17.822 2.751 1.00 0.00 H new ATOM 909 N LYS A 59 3.324 16.153 1.121 1.00 0.00 N ATOM 910 CA LYS A 59 4.657 16.195 0.545 1.00 0.00 C ATOM 911 C LYS A 59 4.814 15.019 -0.422 1.00 0.00 C ATOM 912 O LYS A 59 4.291 13.947 -0.135 1.00 0.00 O ATOM 913 CB LYS A 59 5.590 16.034 1.742 1.00 0.00 C ATOM 914 CG LYS A 59 7.031 16.363 1.382 1.00 0.00 C ATOM 915 CD LYS A 59 7.408 17.783 1.784 1.00 0.00 C ATOM 916 CE LYS A 59 6.542 18.866 1.142 1.00 0.00 C ATOM 917 NZ LYS A 59 7.052 20.216 1.437 1.00 0.00 N ATOM 0 H LYS A 59 3.032 15.210 1.377 1.00 0.00 H new ATOM 0 HA LYS A 59 4.863 17.109 -0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.259 16.685 2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.532 15.011 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.699 15.657 1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.174 16.240 0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.338 17.873 2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.450 17.960 1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.512 18.716 0.063 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.518 18.776 1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.440 20.925 0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.057 20.368 2.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.020 20.310 1.068 1.00 0.00 H new ATOM 931 N GLY A 60 5.601 15.121 -1.491 1.00 0.00 N ATOM 932 CA GLY A 60 5.794 14.003 -2.412 1.00 0.00 C ATOM 933 C GLY A 60 4.608 13.916 -3.361 1.00 0.00 C ATOM 934 O GLY A 60 4.207 14.952 -3.894 1.00 0.00 O ATOM 0 H GLY A 60 6.115 15.966 -1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.716 14.139 -2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.896 13.072 -1.854 1.00 0.00 H new ATOM 938 N HIS A 61 4.066 12.720 -3.609 1.00 0.00 N ATOM 939 CA HIS A 61 3.110 12.503 -4.697 1.00 0.00 C ATOM 940 C HIS A 61 1.919 11.667 -4.245 1.00 0.00 C ATOM 941 O HIS A 61 1.913 11.125 -3.138 1.00 0.00 O ATOM 942 CB HIS A 61 3.812 11.861 -5.902 1.00 0.00 C ATOM 943 CG HIS A 61 5.008 12.647 -6.353 1.00 0.00 C ATOM 944 ND1 HIS A 61 4.973 13.938 -6.815 1.00 0.00 N ATOM 945 CD2 HIS A 61 6.317 12.274 -6.236 1.00 0.00 C ATOM 946 CE1 HIS A 61 6.239 14.352 -6.955 1.00 0.00 C ATOM 947 NE2 HIS A 61 7.097 13.376 -6.600 1.00 0.00 N ATOM 0 H HIS A 61 4.276 11.882 -3.066 1.00 0.00 H new ATOM 0 HA HIS A 61 2.720 13.475 -4.999 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.123 10.849 -5.641 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.105 11.775 -6.727 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.682 11.307 -5.921 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.531 15.331 -7.304 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.116 13.430 -6.597 1.00 0.00 H new ATOM 955 N CYS A 62 0.903 11.596 -5.104 1.00 0.00 N ATOM 956 CA CYS A 62 -0.341 10.879 -4.878 1.00 0.00 C ATOM 957 C CYS A 62 -0.143 9.430 -5.282 1.00 0.00 C ATOM 958 O CYS A 62 -0.101 9.136 -6.471 1.00 0.00 O ATOM 959 CB CYS A 62 -1.470 11.520 -5.692 1.00 0.00 C ATOM 960 SG CYS A 62 -1.569 13.284 -5.276 1.00 0.00 S ATOM 0 H CYS A 62 0.930 12.058 -6.013 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.617 10.927 -3.825 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.283 11.394 -6.759 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.418 11.028 -5.474 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.523 13.839 -5.963 1.00 0.00 H new ATOM 966 N VAL A 63 0.016 8.534 -4.314 1.00 0.00 N ATOM 967 CA VAL A 63 0.219 7.123 -4.579 1.00 0.00 C ATOM 968 C VAL A 63 -1.109 6.568 -5.125 1.00 0.00 C ATOM 969 O VAL A 63 -2.100 6.477 -4.393 1.00 0.00 O ATOM 970 CB VAL A 63 0.731 6.431 -3.299 1.00 0.00 C ATOM 971 CG1 VAL A 63 1.114 4.975 -3.573 1.00 0.00 C ATOM 972 CG2 VAL A 63 1.919 7.137 -2.635 1.00 0.00 C ATOM 0 H VAL A 63 0.007 8.771 -3.322 1.00 0.00 H new ATOM 0 HA VAL A 63 0.986 6.936 -5.331 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.107 6.482 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.471 4.513 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.242 4.432 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.902 4.941 -4.325 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.217 6.587 -1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.755 7.177 -3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.631 8.151 -2.357 1.00 0.00 H new ATOM 982 N THR A 64 -1.182 6.289 -6.429 1.00 0.00 N ATOM 983 CA THR A 64 -2.443 5.893 -7.060 1.00 0.00 C ATOM 984 C THR A 64 -2.700 4.390 -6.829 1.00 0.00 C ATOM 985 O THR A 64 -1.746 3.599 -6.768 1.00 0.00 O ATOM 986 CB THR A 64 -2.444 6.304 -8.545 1.00 0.00 C ATOM 987 OG1 THR A 64 -1.469 5.591 -9.280 1.00 0.00 O ATOM 988 CG2 THR A 64 -2.129 7.791 -8.757 1.00 0.00 C ATOM 0 H THR A 64 -0.386 6.330 -7.066 1.00 0.00 H new ATOM 0 HA THR A 64 -3.278 6.420 -6.599 1.00 0.00 H new ATOM 0 HB THR A 64 -3.454 6.081 -8.890 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.496 5.873 -10.218 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.145 8.018 -9.823 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.876 8.398 -8.246 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.142 8.015 -8.353 1.00 0.00 H new ATOM 996 N GLY A 65 -3.968 3.967 -6.708 1.00 0.00 N ATOM 997 CA GLY A 65 -4.290 2.591 -6.332 1.00 0.00 C ATOM 998 C GLY A 65 -5.781 2.284 -6.407 1.00 0.00 C ATOM 999 O GLY A 65 -6.512 2.904 -7.182 1.00 0.00 O ATOM 0 H GLY A 65 -4.782 4.561 -6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.751 1.906 -6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.938 2.406 -5.317 1.00 0.00 H new ATOM 1003 N GLU A 66 -6.221 1.273 -5.654 1.00 0.00 N ATOM 1004 CA GLU A 66 -7.604 0.799 -5.655 1.00 0.00 C ATOM 1005 C GLU A 66 -8.033 0.600 -4.200 1.00 0.00 C ATOM 1006 O GLU A 66 -7.176 0.578 -3.305 1.00 0.00 O ATOM 1007 CB GLU A 66 -7.752 -0.422 -6.592 1.00 0.00 C ATOM 1008 CG GLU A 66 -7.708 -1.862 -6.126 1.00 0.00 C ATOM 1009 CD GLU A 66 -7.438 -2.798 -7.333 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -6.605 -2.477 -8.207 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -7.994 -3.911 -7.401 1.00 0.00 O ATOM 0 H GLU A 66 -5.616 0.754 -5.017 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.299 1.525 -6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.706 -0.298 -7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.971 -0.323 -7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.927 -1.987 -5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.652 -2.129 -5.651 1.00 0.00 H new ATOM 1018 N ILE A 67 -9.335 0.515 -3.933 1.00 0.00 N ATOM 1019 CA ILE A 67 -9.877 0.517 -2.579 1.00 0.00 C ATOM 1020 C ILE A 67 -10.501 -0.857 -2.366 1.00 0.00 C ATOM 1021 O ILE A 67 -11.554 -1.173 -2.911 1.00 0.00 O ATOM 1022 CB ILE A 67 -10.823 1.723 -2.352 1.00 0.00 C ATOM 1023 CG1 ILE A 67 -10.018 3.048 -2.405 1.00 0.00 C ATOM 1024 CG2 ILE A 67 -11.543 1.596 -0.992 1.00 0.00 C ATOM 1025 CD1 ILE A 67 -10.873 4.315 -2.536 1.00 0.00 C ATOM 0 H ILE A 67 -10.048 0.442 -4.658 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.110 0.664 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.573 1.730 -3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.414 3.126 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.327 3.004 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.203 2.451 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.130 0.678 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -10.805 1.569 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.224 5.190 -2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -11.458 4.266 -3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.545 4.390 -1.681 1.00 0.00 H new ATOM 1037 N TYR A 68 -9.808 -1.715 -1.626 1.00 0.00 N ATOM 1038 CA TYR A 68 -10.318 -2.994 -1.193 1.00 0.00 C ATOM 1039 C TYR A 68 -11.084 -2.756 0.097 1.00 0.00 C ATOM 1040 O TYR A 68 -10.517 -2.370 1.115 1.00 0.00 O ATOM 1041 CB TYR A 68 -9.206 -4.042 -1.043 1.00 0.00 C ATOM 1042 CG TYR A 68 -8.806 -4.637 -2.380 1.00 0.00 C ATOM 1043 CD1 TYR A 68 -9.558 -5.711 -2.878 1.00 0.00 C ATOM 1044 CD2 TYR A 68 -7.780 -4.081 -3.172 1.00 0.00 C ATOM 1045 CE1 TYR A 68 -9.279 -6.253 -4.138 1.00 0.00 C ATOM 1046 CE2 TYR A 68 -7.543 -4.560 -4.473 1.00 0.00 C ATOM 1047 CZ TYR A 68 -8.292 -5.665 -4.952 1.00 0.00 C ATOM 1048 OH TYR A 68 -8.150 -6.114 -6.223 1.00 0.00 O ATOM 0 H TYR A 68 -8.857 -1.529 -1.308 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.985 -3.413 -1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.335 -3.583 -0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.544 -4.837 -0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.360 -6.124 -2.284 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.172 -3.281 -2.776 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -9.820 -7.121 -4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.799 -4.092 -5.100 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.390 -5.401 -6.851 1.00 0.00 H new ATOM 1058 N GLU A 69 -12.391 -2.967 0.054 1.00 0.00 N ATOM 1059 CA GLU A 69 -13.141 -3.348 1.237 1.00 0.00 C ATOM 1060 C GLU A 69 -12.568 -4.681 1.697 1.00 0.00 C ATOM 1061 O GLU A 69 -12.360 -5.584 0.883 1.00 0.00 O ATOM 1062 CB GLU A 69 -14.598 -3.414 0.842 1.00 0.00 C ATOM 1063 CG GLU A 69 -15.609 -3.962 1.838 1.00 0.00 C ATOM 1064 CD GLU A 69 -15.431 -3.909 3.358 1.00 0.00 C ATOM 1065 OE1 GLU A 69 -14.652 -3.107 3.915 1.00 0.00 O ATOM 1066 OE2 GLU A 69 -16.200 -4.664 4.012 1.00 0.00 O ATOM 0 H GLU A 69 -12.954 -2.880 -0.792 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.065 -2.644 2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.913 -2.405 0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.666 -4.018 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.551 -3.457 1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.747 -5.013 1.584 1.00 0.00 H new ATOM 1073 N VAL A 70 -12.272 -4.798 2.983 1.00 0.00 N ATOM 1074 CA VAL A 70 -11.717 -6.000 3.579 1.00 0.00 C ATOM 1075 C VAL A 70 -12.469 -6.256 4.878 1.00 0.00 C ATOM 1076 O VAL A 70 -13.051 -5.331 5.461 1.00 0.00 O ATOM 1077 CB VAL A 70 -10.194 -5.852 3.791 1.00 0.00 C ATOM 1078 CG1 VAL A 70 -9.418 -5.798 2.468 1.00 0.00 C ATOM 1079 CG2 VAL A 70 -9.810 -4.626 4.625 1.00 0.00 C ATOM 0 H VAL A 70 -12.415 -4.043 3.654 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.842 -6.859 2.920 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.915 -6.750 4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.353 -5.694 2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.590 -6.717 1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.759 -4.945 1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.726 -4.585 4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.159 -3.722 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.271 -4.697 5.610 1.00 0.00 H new ATOM 1089 N ASP A 71 -12.489 -7.504 5.341 1.00 0.00 N ATOM 1090 CA ASP A 71 -13.050 -7.812 6.649 1.00 0.00 C ATOM 1091 C ASP A 71 -11.975 -7.837 7.725 1.00 0.00 C ATOM 1092 O ASP A 71 -10.784 -7.670 7.466 1.00 0.00 O ATOM 1093 CB ASP A 71 -13.867 -9.105 6.648 1.00 0.00 C ATOM 1094 CG ASP A 71 -13.043 -10.353 6.963 1.00 0.00 C ATOM 1095 OD1 ASP A 71 -12.027 -10.617 6.284 1.00 0.00 O ATOM 1096 OD2 ASP A 71 -13.423 -11.027 7.946 1.00 0.00 O ATOM 0 H ASP A 71 -12.126 -8.310 4.833 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.743 -7.005 6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.671 -9.017 7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.336 -9.227 5.672 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.439 -8.065 8.949 1.00 0.00 N ATOM 1102 CA GLU A 72 -11.610 -8.183 10.138 1.00 0.00 C ATOM 1103 C GLU A 72 -10.610 -9.322 10.005 1.00 0.00 C ATOM 1104 O GLU A 72 -9.496 -9.203 10.498 1.00 0.00 O ATOM 1105 CB GLU A 72 -12.503 -8.390 11.377 1.00 0.00 C ATOM 1106 CG GLU A 72 -12.462 -7.160 12.285 1.00 0.00 C ATOM 1107 CD GLU A 72 -11.184 -7.091 13.126 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -10.132 -6.648 12.625 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -11.221 -7.532 14.298 1.00 0.00 O ATOM 0 H GLU A 72 -13.434 -8.176 9.145 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.043 -7.259 10.254 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.529 -8.583 11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.168 -9.268 11.930 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.540 -6.260 11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.328 -7.173 12.947 1.00 0.00 H new ATOM 1116 N GLN A 73 -10.970 -10.435 9.364 1.00 0.00 N ATOM 1117 CA GLN A 73 -10.035 -11.525 9.173 1.00 0.00 C ATOM 1118 C GLN A 73 -8.870 -11.071 8.291 1.00 0.00 C ATOM 1119 O GLN A 73 -7.720 -11.307 8.657 1.00 0.00 O ATOM 1120 CB GLN A 73 -10.788 -12.772 8.679 1.00 0.00 C ATOM 1121 CG GLN A 73 -9.996 -14.080 8.806 1.00 0.00 C ATOM 1122 CD GLN A 73 -9.362 -14.215 10.186 1.00 0.00 C ATOM 1123 OE1 GLN A 73 -10.057 -14.407 11.187 1.00 0.00 O ATOM 1124 NE2 GLN A 73 -8.064 -14.004 10.286 1.00 0.00 N ATOM 0 H GLN A 73 -11.898 -10.597 8.974 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.575 -11.819 10.116 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.717 -12.867 9.241 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.061 -12.627 7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.658 -14.927 8.624 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.219 -14.112 8.042 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.507 -13.847 9.446 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.618 -13.998 11.203 1.00 0.00 H new ATOM 1133 N MET A 74 -9.138 -10.357 7.194 1.00 0.00 N ATOM 1134 CA MET A 74 -8.080 -9.841 6.330 1.00 0.00 C ATOM 1135 C MET A 74 -7.261 -8.774 7.049 1.00 0.00 C ATOM 1136 O MET A 74 -6.033 -8.854 7.053 1.00 0.00 O ATOM 1137 CB MET A 74 -8.694 -9.291 5.040 1.00 0.00 C ATOM 1138 CG MET A 74 -7.700 -8.579 4.115 1.00 0.00 C ATOM 1139 SD MET A 74 -6.292 -9.575 3.570 1.00 0.00 S ATOM 1140 CE MET A 74 -7.186 -10.959 2.821 1.00 0.00 C ATOM 0 H MET A 74 -10.082 -10.124 6.885 1.00 0.00 H new ATOM 0 HA MET A 74 -7.401 -10.655 6.076 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.155 -10.113 4.493 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.491 -8.595 5.300 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.237 -8.229 3.234 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.321 -7.696 4.629 1.00 0.00 H new ATOM 0 HE1 MET A 74 -6.492 -11.570 2.244 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.639 -11.566 3.605 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.965 -10.575 2.163 1.00 0.00 H new ATOM 1150 N LEU A 75 -7.907 -7.769 7.652 1.00 0.00 N ATOM 1151 CA LEU A 75 -7.199 -6.699 8.351 1.00 0.00 C ATOM 1152 C LEU A 75 -6.423 -7.242 9.571 1.00 0.00 C ATOM 1153 O LEU A 75 -5.523 -6.565 10.073 1.00 0.00 O ATOM 1154 CB LEU A 75 -8.172 -5.555 8.736 1.00 0.00 C ATOM 1155 CG LEU A 75 -8.001 -4.181 8.026 1.00 0.00 C ATOM 1156 CD1 LEU A 75 -8.688 -3.052 8.804 1.00 0.00 C ATOM 1157 CD2 LEU A 75 -6.567 -3.697 7.833 1.00 0.00 C ATOM 0 H LEU A 75 -8.923 -7.678 7.668 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.458 -6.279 7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.188 -5.903 8.549 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.084 -5.389 9.810 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.446 -4.379 7.051 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.547 -2.108 8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.754 -3.264 8.888 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.253 -2.980 9.801 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.574 -2.731 7.328 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.083 -3.596 8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.018 -4.418 7.228 1.00 0.00 H new ATOM 1169 N ARG A 76 -6.715 -8.453 10.062 1.00 0.00 N ATOM 1170 CA ARG A 76 -5.856 -9.171 11.007 1.00 0.00 C ATOM 1171 C ARG A 76 -4.721 -9.898 10.292 1.00 0.00 C ATOM 1172 O ARG A 76 -3.578 -9.735 10.704 1.00 0.00 O ATOM 1173 CB ARG A 76 -6.668 -10.151 11.855 1.00 0.00 C ATOM 1174 CG ARG A 76 -7.479 -9.412 12.927 1.00 0.00 C ATOM 1175 CD ARG A 76 -8.246 -10.450 13.740 1.00 0.00 C ATOM 1176 NE ARG A 76 -9.540 -9.928 14.198 1.00 0.00 N ATOM 1177 CZ ARG A 76 -10.469 -10.647 14.828 1.00 0.00 C ATOM 1178 NH1 ARG A 76 -10.244 -11.902 15.189 1.00 0.00 N ATOM 1179 NH2 ARG A 76 -11.641 -10.095 15.101 1.00 0.00 N ATOM 0 H ARG A 76 -7.561 -8.965 9.811 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.413 -8.427 11.670 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.341 -10.721 11.214 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.998 -10.867 12.331 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.818 -8.835 13.574 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.168 -8.706 12.464 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.406 -11.342 13.134 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.650 -10.752 14.601 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.743 -8.944 14.021 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.344 -12.338 14.986 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.970 -12.432 15.670 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.825 -9.129 14.830 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.359 -10.636 15.583 1.00 0.00 H new ATOM 1193 N PHE A 77 -4.979 -10.692 9.254 1.00 0.00 N ATOM 1194 CA PHE A 77 -3.938 -11.427 8.535 1.00 0.00 C ATOM 1195 C PHE A 77 -2.834 -10.487 8.057 1.00 0.00 C ATOM 1196 O PHE A 77 -1.651 -10.752 8.265 1.00 0.00 O ATOM 1197 CB PHE A 77 -4.552 -12.162 7.339 1.00 0.00 C ATOM 1198 CG PHE A 77 -3.528 -12.617 6.316 1.00 0.00 C ATOM 1199 CD1 PHE A 77 -2.712 -13.734 6.573 1.00 0.00 C ATOM 1200 CD2 PHE A 77 -3.375 -11.905 5.111 1.00 0.00 C ATOM 1201 CE1 PHE A 77 -1.757 -14.142 5.626 1.00 0.00 C ATOM 1202 CE2 PHE A 77 -2.419 -12.310 4.164 1.00 0.00 C ATOM 1203 CZ PHE A 77 -1.612 -13.434 4.418 1.00 0.00 C ATOM 0 H PHE A 77 -5.918 -10.845 8.886 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.496 -12.152 9.219 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.103 -13.030 7.700 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.274 -11.507 6.852 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.820 -14.279 7.499 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.995 -11.043 4.914 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.133 -15.001 5.826 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.304 -11.759 3.242 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.883 -13.753 3.688 1.00 0.00 H new ATOM 1213 N LEU A 78 -3.204 -9.373 7.428 1.00 0.00 N ATOM 1214 CA LEU A 78 -2.228 -8.416 6.936 1.00 0.00 C ATOM 1215 C LEU A 78 -1.446 -7.787 8.093 1.00 0.00 C ATOM 1216 O LEU A 78 -0.339 -7.302 7.881 1.00 0.00 O ATOM 1217 CB LEU A 78 -2.934 -7.364 6.055 1.00 0.00 C ATOM 1218 CG LEU A 78 -2.377 -7.232 4.626 1.00 0.00 C ATOM 1219 CD1 LEU A 78 -2.428 -8.549 3.838 1.00 0.00 C ATOM 1220 CD2 LEU A 78 -3.227 -6.205 3.864 1.00 0.00 C ATOM 0 H LEU A 78 -4.175 -9.115 7.249 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.494 -8.930 6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.993 -7.615 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.864 -6.394 6.547 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.333 -6.930 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.022 -8.391 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.837 -9.305 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.461 -8.887 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.846 -6.099 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.262 -6.544 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.177 -5.242 4.373 1.00 0.00 H new ATOM 1232 N ASP A 79 -1.980 -7.767 9.318 1.00 0.00 N ATOM 1233 CA ASP A 79 -1.293 -7.257 10.512 1.00 0.00 C ATOM 1234 C ASP A 79 -0.238 -8.228 11.039 1.00 0.00 C ATOM 1235 O ASP A 79 0.528 -7.888 11.932 1.00 0.00 O ATOM 1236 CB ASP A 79 -2.334 -6.885 11.570 1.00 0.00 C ATOM 1237 CG ASP A 79 -1.805 -6.166 12.816 1.00 0.00 C ATOM 1238 OD1 ASP A 79 -1.476 -4.962 12.704 1.00 0.00 O ATOM 1239 OD2 ASP A 79 -1.982 -6.706 13.934 1.00 0.00 O ATOM 0 H ASP A 79 -2.920 -8.111 9.513 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.738 -6.359 10.241 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.087 -6.251 11.102 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.839 -7.797 11.889 1.00 0.00 H new ATOM 1244 N ASP A 80 -0.163 -9.418 10.451 1.00 0.00 N ATOM 1245 CA ASP A 80 0.868 -10.425 10.690 1.00 0.00 C ATOM 1246 C ASP A 80 1.842 -10.489 9.511 1.00 0.00 C ATOM 1247 O ASP A 80 3.058 -10.545 9.717 1.00 0.00 O ATOM 1248 CB ASP A 80 0.162 -11.771 10.921 1.00 0.00 C ATOM 1249 CG ASP A 80 1.109 -12.963 10.996 1.00 0.00 C ATOM 1250 OD1 ASP A 80 1.424 -13.538 9.931 1.00 0.00 O ATOM 1251 OD2 ASP A 80 1.457 -13.396 12.115 1.00 0.00 O ATOM 0 H ASP A 80 -0.851 -9.722 9.762 1.00 0.00 H new ATOM 0 HA ASP A 80 1.461 -10.169 11.568 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.410 -11.715 11.847 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.553 -11.938 10.115 1.00 0.00 H new ATOM 1256 N PHE A 81 1.327 -10.447 8.275 1.00 0.00 N ATOM 1257 CA PHE A 81 2.129 -10.536 7.055 1.00 0.00 C ATOM 1258 C PHE A 81 3.060 -9.329 6.886 1.00 0.00 C ATOM 1259 O PHE A 81 4.203 -9.496 6.449 1.00 0.00 O ATOM 1260 CB PHE A 81 1.207 -10.696 5.835 1.00 0.00 C ATOM 1261 CG PHE A 81 1.896 -10.719 4.476 1.00 0.00 C ATOM 1262 CD1 PHE A 81 3.152 -11.338 4.294 1.00 0.00 C ATOM 1263 CD2 PHE A 81 1.282 -10.091 3.375 1.00 0.00 C ATOM 1264 CE1 PHE A 81 3.791 -11.299 3.042 1.00 0.00 C ATOM 1265 CE2 PHE A 81 1.916 -10.062 2.122 1.00 0.00 C ATOM 1266 CZ PHE A 81 3.177 -10.654 1.957 1.00 0.00 C ATOM 0 H PHE A 81 0.328 -10.349 8.096 1.00 0.00 H new ATOM 0 HA PHE A 81 2.768 -11.415 7.137 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.643 -11.621 5.950 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.485 -9.879 5.840 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.625 -11.845 5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.314 -9.627 3.495 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.756 -11.766 2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.432 -9.583 1.284 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.674 -10.614 0.999 1.00 0.00 H new ATOM 1276 N GLU A 82 2.602 -8.121 7.224 1.00 0.00 N ATOM 1277 CA GLU A 82 3.410 -6.901 7.128 1.00 0.00 C ATOM 1278 C GLU A 82 4.305 -6.722 8.365 1.00 0.00 C ATOM 1279 O GLU A 82 4.858 -5.642 8.561 1.00 0.00 O ATOM 1280 CB GLU A 82 2.514 -5.669 6.912 1.00 0.00 C ATOM 1281 CG GLU A 82 1.515 -5.797 5.756 1.00 0.00 C ATOM 1282 CD GLU A 82 2.147 -5.948 4.388 1.00 0.00 C ATOM 1283 OE1 GLU A 82 2.387 -4.922 3.714 1.00 0.00 O ATOM 1284 OE2 GLU A 82 2.307 -7.090 3.910 1.00 0.00 O ATOM 0 H GLU A 82 1.657 -7.960 7.573 1.00 0.00 H new ATOM 0 HA GLU A 82 4.064 -7.002 6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.962 -5.473 7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.149 -4.802 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.873 -6.658 5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.873 -4.916 5.749 1.00 0.00 H new ATOM 1291 N ASP A 83 4.402 -7.751 9.218 1.00 0.00 N ATOM 1292 CA ASP A 83 5.200 -7.848 10.448 1.00 0.00 C ATOM 1293 C ASP A 83 4.841 -6.827 11.531 1.00 0.00 C ATOM 1294 O ASP A 83 5.468 -6.772 12.588 1.00 0.00 O ATOM 1295 CB ASP A 83 6.700 -7.745 10.131 1.00 0.00 C ATOM 1296 CG ASP A 83 7.543 -8.352 11.246 1.00 0.00 C ATOM 1297 OD1 ASP A 83 7.276 -9.520 11.613 1.00 0.00 O ATOM 1298 OD2 ASP A 83 8.433 -7.666 11.802 1.00 0.00 O ATOM 0 H ASP A 83 3.879 -8.611 9.051 1.00 0.00 H new ATOM 0 HA ASP A 83 4.957 -8.828 10.860 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.912 -8.257 9.192 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.974 -6.699 9.993 1.00 0.00 H new ATOM 1303 N CYS A 84 3.862 -5.976 11.265 1.00 0.00 N ATOM 1304 CA CYS A 84 3.566 -4.803 12.060 1.00 0.00 C ATOM 1305 C CYS A 84 3.081 -5.229 13.453 1.00 0.00 C ATOM 1306 O CYS A 84 2.488 -6.301 13.567 1.00 0.00 O ATOM 1307 CB CYS A 84 2.544 -3.962 11.305 1.00 0.00 C ATOM 1308 SG CYS A 84 1.079 -4.923 10.951 1.00 0.00 S ATOM 0 H CYS A 84 3.237 -6.089 10.467 1.00 0.00 H new ATOM 0 HA CYS A 84 4.456 -4.193 12.216 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.277 -3.086 11.897 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.980 -3.598 10.375 1.00 0.00 H new ATOM 0 HG CYS A 84 0.200 -4.735 11.890 1.00 0.00 H new ATOM 1314 N PRO A 85 3.256 -4.418 14.505 1.00 0.00 N ATOM 1315 CA PRO A 85 3.699 -3.020 14.518 1.00 0.00 C ATOM 1316 C PRO A 85 5.202 -2.788 14.276 1.00 0.00 C ATOM 1317 O PRO A 85 5.617 -1.630 14.213 1.00 0.00 O ATOM 1318 CB PRO A 85 3.311 -2.520 15.912 1.00 0.00 C ATOM 1319 CG PRO A 85 3.400 -3.767 16.786 1.00 0.00 C ATOM 1320 CD PRO A 85 2.868 -4.838 15.846 1.00 0.00 C ATOM 0 HA PRO A 85 3.231 -2.490 13.689 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.988 -1.739 16.259 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.306 -2.097 15.920 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.422 -3.972 17.104 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.797 -3.678 17.689 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.289 -5.814 16.087 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.785 -4.929 15.929 1.00 0.00 H new ATOM 1328 N SER A 86 6.025 -3.839 14.171 1.00 0.00 N ATOM 1329 CA SER A 86 7.465 -3.719 13.978 1.00 0.00 C ATOM 1330 C SER A 86 7.830 -2.863 12.764 1.00 0.00 C ATOM 1331 O SER A 86 8.377 -1.763 12.911 1.00 0.00 O ATOM 1332 CB SER A 86 8.084 -5.115 13.854 1.00 0.00 C ATOM 1333 OG SER A 86 8.487 -5.587 15.124 1.00 0.00 O ATOM 0 H SER A 86 5.700 -4.805 14.219 1.00 0.00 H new ATOM 0 HA SER A 86 7.871 -3.209 14.851 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.361 -5.803 13.415 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.941 -5.082 13.182 1.00 0.00 H new ATOM 0 HG SER A 86 8.879 -6.480 15.032 1.00 0.00 H new ATOM 1339 N MET A 87 7.588 -3.401 11.568 1.00 0.00 N ATOM 1340 CA MET A 87 8.011 -2.779 10.330 1.00 0.00 C ATOM 1341 C MET A 87 7.139 -1.544 10.081 1.00 0.00 C ATOM 1342 O MET A 87 7.622 -0.405 10.074 1.00 0.00 O ATOM 1343 CB MET A 87 7.905 -3.809 9.192 1.00 0.00 C ATOM 1344 CG MET A 87 8.972 -4.903 9.242 1.00 0.00 C ATOM 1345 SD MET A 87 8.800 -6.223 8.006 1.00 0.00 S ATOM 1346 CE MET A 87 8.448 -5.336 6.470 1.00 0.00 C ATOM 0 H MET A 87 7.091 -4.283 11.439 1.00 0.00 H new ATOM 0 HA MET A 87 9.049 -2.452 10.383 1.00 0.00 H new ATOM 0 HB2 MET A 87 6.920 -4.275 9.228 1.00 0.00 H new ATOM 0 HB3 MET A 87 7.977 -3.289 8.237 1.00 0.00 H new ATOM 0 HG2 MET A 87 9.950 -4.438 9.117 1.00 0.00 H new ATOM 0 HG3 MET A 87 8.958 -5.354 10.234 1.00 0.00 H new ATOM 0 HE1 MET A 87 8.291 -6.053 5.664 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.551 -4.731 6.597 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.290 -4.689 6.222 1.00 0.00 H new ATOM 1356 N TYR A 88 5.847 -1.788 9.870 1.00 0.00 N ATOM 1357 CA TYR A 88 4.835 -0.779 9.582 1.00 0.00 C ATOM 1358 C TYR A 88 3.967 -0.576 10.829 1.00 0.00 C ATOM 1359 O TYR A 88 4.020 -1.394 11.742 1.00 0.00 O ATOM 1360 CB TYR A 88 4.017 -1.221 8.357 1.00 0.00 C ATOM 1361 CG TYR A 88 4.835 -1.352 7.083 1.00 0.00 C ATOM 1362 CD1 TYR A 88 5.228 -0.201 6.373 1.00 0.00 C ATOM 1363 CD2 TYR A 88 5.211 -2.624 6.612 1.00 0.00 C ATOM 1364 CE1 TYR A 88 6.019 -0.315 5.212 1.00 0.00 C ATOM 1365 CE2 TYR A 88 5.980 -2.744 5.442 1.00 0.00 C ATOM 1366 CZ TYR A 88 6.399 -1.595 4.738 1.00 0.00 C ATOM 1367 OH TYR A 88 7.152 -1.759 3.615 1.00 0.00 O ATOM 0 H TYR A 88 5.463 -2.733 9.897 1.00 0.00 H new ATOM 0 HA TYR A 88 5.292 0.180 9.339 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.546 -2.179 8.574 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.215 -0.502 8.190 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.922 0.775 6.720 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.908 -3.510 7.151 1.00 0.00 H new ATOM 0 HE1 TYR A 88 6.335 0.573 4.684 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.253 -3.724 5.079 1.00 0.00 H new ATOM 0 HH TYR A 88 8.003 -1.285 3.720 1.00 0.00 H new ATOM 1377 N GLN A 89 3.152 0.482 10.876 1.00 0.00 N ATOM 1378 CA GLN A 89 2.313 0.816 12.039 1.00 0.00 C ATOM 1379 C GLN A 89 0.830 1.032 11.718 1.00 0.00 C ATOM 1380 O GLN A 89 0.004 0.994 12.632 1.00 0.00 O ATOM 1381 CB GLN A 89 2.871 2.065 12.737 1.00 0.00 C ATOM 1382 CG GLN A 89 3.896 1.729 13.826 1.00 0.00 C ATOM 1383 CD GLN A 89 5.332 2.059 13.433 1.00 0.00 C ATOM 1384 OE1 GLN A 89 5.674 3.226 13.224 1.00 0.00 O ATOM 1385 NE2 GLN A 89 6.200 1.066 13.359 1.00 0.00 N ATOM 0 H GLN A 89 3.053 1.139 10.102 1.00 0.00 H new ATOM 0 HA GLN A 89 2.354 -0.056 12.692 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.336 2.713 11.994 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.048 2.626 13.180 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.642 2.275 14.734 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.827 0.667 14.063 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.896 0.109 13.536 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.174 1.257 13.125 1.00 0.00 H new ATOM 1394 N ARG A 90 0.514 1.185 10.431 1.00 0.00 N ATOM 1395 CA ARG A 90 -0.789 1.544 9.848 1.00 0.00 C ATOM 1396 C ARG A 90 -1.255 2.932 10.308 1.00 0.00 C ATOM 1397 O ARG A 90 -1.002 3.375 11.425 1.00 0.00 O ATOM 1398 CB ARG A 90 -1.804 0.414 10.136 1.00 0.00 C ATOM 1399 CG ARG A 90 -3.195 0.536 9.478 1.00 0.00 C ATOM 1400 CD ARG A 90 -4.357 0.991 10.374 1.00 0.00 C ATOM 1401 NE ARG A 90 -4.422 0.218 11.625 1.00 0.00 N ATOM 1402 CZ ARG A 90 -5.374 0.304 12.560 1.00 0.00 C ATOM 1403 NH1 ARG A 90 -6.386 1.152 12.419 1.00 0.00 N ATOM 1404 NH2 ARG A 90 -5.301 -0.470 13.632 1.00 0.00 N ATOM 0 H ARG A 90 1.218 1.051 9.706 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.697 1.630 8.765 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.360 -0.529 9.817 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.944 0.352 11.215 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.115 1.236 8.646 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.455 -0.434 9.054 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.242 2.050 10.607 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.297 0.884 9.832 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.668 -0.448 11.795 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.442 1.746 11.591 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.107 1.210 13.138 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.524 -1.123 13.738 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.021 -0.413 14.352 1.00 0.00 H new ATOM 1418 N THR A 91 -1.945 3.671 9.445 1.00 0.00 N ATOM 1419 CA THR A 91 -2.609 4.926 9.798 1.00 0.00 C ATOM 1420 C THR A 91 -3.849 5.051 8.906 1.00 0.00 C ATOM 1421 O THR A 91 -4.119 4.170 8.083 1.00 0.00 O ATOM 1422 CB THR A 91 -1.616 6.108 9.653 1.00 0.00 C ATOM 1423 OG1 THR A 91 -0.439 5.860 10.405 1.00 0.00 O ATOM 1424 CG2 THR A 91 -2.141 7.476 10.076 1.00 0.00 C ATOM 0 H THR A 91 -2.062 3.413 8.465 1.00 0.00 H new ATOM 0 HA THR A 91 -2.933 4.942 10.839 1.00 0.00 H new ATOM 0 HB THR A 91 -1.431 6.156 8.580 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.225 5.416 9.837 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.362 8.225 9.931 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.010 7.735 9.472 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.426 7.447 11.128 1.00 0.00 H new ATOM 1432 N ALA A 92 -4.615 6.121 9.106 1.00 0.00 N ATOM 1433 CA ALA A 92 -5.692 6.596 8.263 1.00 0.00 C ATOM 1434 C ALA A 92 -5.373 7.978 7.690 1.00 0.00 C ATOM 1435 O ALA A 92 -4.832 8.856 8.367 1.00 0.00 O ATOM 1436 CB ALA A 92 -6.983 6.666 9.071 1.00 0.00 C ATOM 0 H ALA A 92 -4.484 6.717 9.923 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.811 5.898 7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.792 7.024 8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.230 5.674 9.449 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.851 7.351 9.909 1.00 0.00 H new ATOM 1442 N LEU A 93 -5.776 8.154 6.439 1.00 0.00 N ATOM 1443 CA LEU A 93 -5.489 9.256 5.522 1.00 0.00 C ATOM 1444 C LEU A 93 -6.751 9.682 4.781 1.00 0.00 C ATOM 1445 O LEU A 93 -7.819 9.119 5.018 1.00 0.00 O ATOM 1446 CB LEU A 93 -4.396 8.833 4.519 1.00 0.00 C ATOM 1447 CG LEU A 93 -4.639 7.654 3.570 1.00 0.00 C ATOM 1448 CD1 LEU A 93 -4.553 6.395 4.382 1.00 0.00 C ATOM 1449 CD2 LEU A 93 -5.840 7.712 2.683 1.00 0.00 C ATOM 0 H LEU A 93 -6.374 7.458 5.993 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.130 10.107 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.168 9.703 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.499 8.606 5.095 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.855 7.695 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.722 5.533 3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.564 6.321 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.311 6.415 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.883 6.812 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.741 7.777 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.774 8.589 2.038 1.00 0.00 H new ATOM 1461 N GLN A 94 -6.597 10.600 3.826 1.00 0.00 N ATOM 1462 CA GLN A 94 -7.651 11.152 2.988 1.00 0.00 C ATOM 1463 C GLN A 94 -7.443 10.788 1.494 1.00 0.00 C ATOM 1464 O GLN A 94 -6.365 11.036 0.940 1.00 0.00 O ATOM 1465 CB GLN A 94 -7.625 12.672 3.213 1.00 0.00 C ATOM 1466 CG GLN A 94 -8.729 13.468 2.513 1.00 0.00 C ATOM 1467 CD GLN A 94 -10.041 13.534 3.295 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -10.445 14.607 3.739 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -10.730 12.417 3.485 1.00 0.00 N ATOM 0 H GLN A 94 -5.683 10.997 3.608 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.622 10.736 3.255 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.689 12.863 4.284 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.660 13.053 2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.373 14.483 2.334 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.922 13.021 1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -10.383 11.534 3.111 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -11.607 12.441 4.005 1.00 0.00 H new ATOM 1478 N VAL A 95 -8.452 10.194 0.826 1.00 0.00 N ATOM 1479 CA VAL A 95 -8.294 9.554 -0.499 1.00 0.00 C ATOM 1480 C VAL A 95 -9.372 9.657 -1.545 1.00 0.00 C ATOM 1481 O VAL A 95 -10.450 9.101 -1.398 1.00 0.00 O ATOM 1482 CB VAL A 95 -7.735 8.154 -0.361 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -8.174 7.173 0.677 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -7.498 7.346 -1.650 1.00 0.00 C ATOM 0 H VAL A 95 -9.403 10.144 1.190 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.573 10.228 -0.963 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.834 8.608 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.617 6.244 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.986 7.584 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -9.240 6.975 0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.096 6.365 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.441 7.225 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.788 7.875 -2.286 1.00 0.00 H new ATOM 1494 N GLN A 96 -9.007 10.331 -2.634 1.00 0.00 N ATOM 1495 CA GLN A 96 -9.898 10.766 -3.676 1.00 0.00 C ATOM 1496 C GLN A 96 -10.528 9.535 -4.264 1.00 0.00 C ATOM 1497 O GLN A 96 -9.814 8.675 -4.775 1.00 0.00 O ATOM 1498 CB GLN A 96 -9.251 11.641 -4.756 1.00 0.00 C ATOM 1499 CG GLN A 96 -10.355 12.105 -5.733 1.00 0.00 C ATOM 1500 CD GLN A 96 -9.931 13.107 -6.791 1.00 0.00 C ATOM 1501 OE1 GLN A 96 -8.885 13.754 -6.713 1.00 0.00 O ATOM 1502 NE2 GLN A 96 -10.776 13.290 -7.785 1.00 0.00 N ATOM 0 H GLN A 96 -8.037 10.594 -2.810 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.643 11.426 -3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.759 12.502 -4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.484 11.080 -5.289 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.760 11.227 -6.235 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.166 12.543 -5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -11.636 12.744 -7.830 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.570 13.978 -8.509 1.00 0.00 H new ATOM 1511 N VAL A 97 -11.842 9.449 -4.153 1.00 0.00 N ATOM 1512 CA VAL A 97 -12.595 8.316 -4.632 1.00 0.00 C ATOM 1513 C VAL A 97 -12.904 8.526 -6.093 1.00 0.00 C ATOM 1514 O VAL A 97 -13.884 9.159 -6.475 1.00 0.00 O ATOM 1515 CB VAL A 97 -13.697 7.957 -3.640 1.00 0.00 C ATOM 1516 CG1 VAL A 97 -14.573 8.994 -2.982 1.00 0.00 C ATOM 1517 CG2 VAL A 97 -14.475 6.708 -4.030 1.00 0.00 C ATOM 0 H VAL A 97 -12.417 10.174 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 97 -12.043 7.376 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.033 7.773 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -15.283 8.502 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -13.953 9.681 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -15.117 9.549 -3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -15.243 6.509 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -14.945 6.861 -5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -13.795 5.858 -4.086 1.00 0.00 H new ATOM 1527 N LEU A 98 -11.941 8.079 -6.896 1.00 0.00 N ATOM 1528 CA LEU A 98 -11.962 8.137 -8.342 1.00 0.00 C ATOM 1529 C LEU A 98 -13.192 7.400 -8.869 1.00 0.00 C ATOM 1530 O LEU A 98 -13.805 7.867 -9.824 1.00 0.00 O ATOM 1531 CB LEU A 98 -10.668 7.513 -8.913 1.00 0.00 C ATOM 1532 CG LEU A 98 -9.553 8.496 -9.330 1.00 0.00 C ATOM 1533 CD1 LEU A 98 -10.048 9.592 -10.274 1.00 0.00 C ATOM 1534 CD2 LEU A 98 -8.830 9.125 -8.136 1.00 0.00 C ATOM 0 H LEU A 98 -11.090 7.649 -6.533 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.014 9.178 -8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.260 6.832 -8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.934 6.911 -9.782 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.834 7.881 -9.872 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.219 10.252 -10.532 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.446 9.138 -11.181 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.832 10.169 -9.783 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.058 9.806 -8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.546 9.677 -7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.370 8.341 -7.535 1.00 0.00 H new ATOM 1546 N GLU A 99 -13.533 6.261 -8.265 1.00 0.00 N ATOM 1547 CA GLU A 99 -14.638 5.401 -8.663 1.00 0.00 C ATOM 1548 C GLU A 99 -15.105 4.673 -7.403 1.00 0.00 C ATOM 1549 O GLU A 99 -14.290 4.441 -6.509 1.00 0.00 O ATOM 1550 CB GLU A 99 -14.086 4.451 -9.742 1.00 0.00 C ATOM 1551 CG GLU A 99 -15.129 3.632 -10.520 1.00 0.00 C ATOM 1552 CD GLU A 99 -14.631 3.222 -11.923 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -13.421 2.929 -12.109 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -15.431 3.216 -12.888 1.00 0.00 O ATOM 0 H GLU A 99 -13.026 5.903 -7.456 1.00 0.00 H new ATOM 0 HA GLU A 99 -15.494 5.931 -9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.510 5.040 -10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -13.391 3.759 -9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.381 2.737 -9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -16.044 4.215 -10.619 1.00 0.00 H new ATOM 1561 N TRP A 100 -16.373 4.274 -7.323 1.00 0.00 N ATOM 1562 CA TRP A 100 -16.942 3.582 -6.164 1.00 0.00 C ATOM 1563 C TRP A 100 -17.878 2.500 -6.695 1.00 0.00 C ATOM 1564 O TRP A 100 -18.700 2.794 -7.564 1.00 0.00 O ATOM 1565 CB TRP A 100 -17.640 4.602 -5.241 1.00 0.00 C ATOM 1566 CG TRP A 100 -17.991 4.117 -3.863 1.00 0.00 C ATOM 1567 CD1 TRP A 100 -19.218 3.768 -3.403 1.00 0.00 C ATOM 1568 CD2 TRP A 100 -17.068 3.826 -2.773 1.00 0.00 C ATOM 1569 NE1 TRP A 100 -19.111 3.308 -2.105 1.00 0.00 N ATOM 1570 CE2 TRP A 100 -17.801 3.288 -1.675 1.00 0.00 C ATOM 1571 CE3 TRP A 100 -15.666 3.826 -2.662 1.00 0.00 C ATOM 1572 CZ2 TRP A 100 -17.166 2.736 -0.554 1.00 0.00 C ATOM 1573 CZ3 TRP A 100 -15.021 3.336 -1.517 1.00 0.00 C ATOM 1574 CH2 TRP A 100 -15.767 2.759 -0.478 1.00 0.00 C ATOM 0 H TRP A 100 -17.047 4.424 -8.074 1.00 0.00 H new ATOM 0 HA TRP A 100 -16.177 3.103 -5.553 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -16.994 5.474 -5.143 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -18.555 4.937 -5.730 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -20.137 3.839 -3.965 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -19.905 3.018 -1.534 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -15.072 4.212 -3.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -17.749 2.298 0.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -13.946 3.403 -1.435 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -15.264 2.334 0.378 1.00 0.00 H new ATOM 1585 N GLU A 101 -17.749 1.256 -6.233 1.00 0.00 N ATOM 1586 CA GLU A 101 -18.562 0.116 -6.654 1.00 0.00 C ATOM 1587 C GLU A 101 -19.387 -0.517 -5.524 1.00 0.00 C ATOM 1588 O GLU A 101 -18.898 -1.354 -4.759 1.00 0.00 O ATOM 1589 CB GLU A 101 -17.668 -0.958 -7.291 1.00 0.00 C ATOM 1590 CG GLU A 101 -16.890 -0.461 -8.509 1.00 0.00 C ATOM 1591 CD GLU A 101 -16.310 -1.586 -9.376 1.00 0.00 C ATOM 1592 OE1 GLU A 101 -16.889 -2.693 -9.482 1.00 0.00 O ATOM 1593 OE2 GLU A 101 -15.281 -1.334 -10.044 1.00 0.00 O ATOM 0 H GLU A 101 -17.052 1.006 -5.532 1.00 0.00 H new ATOM 0 HA GLU A 101 -19.276 0.510 -7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.963 -1.322 -6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -18.286 -1.806 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -17.548 0.155 -9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.076 0.181 -8.171 1.00 0.00 H new ATOM 1600 N GLY A 102 -20.662 -0.140 -5.431 1.00 0.00 N ATOM 1601 CA GLY A 102 -21.590 -0.607 -4.407 1.00 0.00 C ATOM 1602 C GLY A 102 -21.832 0.501 -3.391 1.00 0.00 C ATOM 1603 O GLY A 102 -21.351 1.621 -3.572 1.00 0.00 O ATOM 0 H GLY A 102 -21.087 0.517 -6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -22.533 -0.906 -4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.185 -1.488 -3.909 1.00 0.00 H new ATOM 1607 N ASP A 103 -22.592 0.199 -2.340 1.00 0.00 N ATOM 1608 CA ASP A 103 -23.012 1.179 -1.340 1.00 0.00 C ATOM 1609 C ASP A 103 -21.814 1.686 -0.521 1.00 0.00 C ATOM 1610 O ASP A 103 -20.687 1.202 -0.670 1.00 0.00 O ATOM 1611 CB ASP A 103 -24.092 0.573 -0.427 1.00 0.00 C ATOM 1612 CG ASP A 103 -25.041 1.624 0.158 1.00 0.00 C ATOM 1613 OD1 ASP A 103 -24.668 2.337 1.117 1.00 0.00 O ATOM 1614 OD2 ASP A 103 -26.199 1.703 -0.316 1.00 0.00 O ATOM 0 H ASP A 103 -22.937 -0.743 -2.157 1.00 0.00 H new ATOM 0 HA ASP A 103 -23.439 2.038 -1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -24.671 -0.156 -0.993 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -23.610 0.033 0.388 1.00 0.00 H new ATOM 1619 N GLY A 104 -22.042 2.609 0.407 1.00 0.00 N ATOM 1620 CA GLY A 104 -21.057 3.012 1.394 1.00 0.00 C ATOM 1621 C GLY A 104 -20.259 4.200 0.903 1.00 0.00 C ATOM 1622 O GLY A 104 -19.057 4.224 1.110 1.00 0.00 O ATOM 0 H GLY A 104 -22.930 3.103 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -21.556 3.265 2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -20.386 2.180 1.605 1.00 0.00 H new ATOM 1626 N ASP A 105 -20.950 5.211 0.379 1.00 0.00 N ATOM 1627 CA ASP A 105 -20.572 6.229 -0.601 1.00 0.00 C ATOM 1628 C ASP A 105 -20.249 7.583 0.060 1.00 0.00 C ATOM 1629 O ASP A 105 -21.166 8.346 0.383 1.00 0.00 O ATOM 1630 CB ASP A 105 -21.750 6.381 -1.568 1.00 0.00 C ATOM 1631 CG ASP A 105 -21.683 7.652 -2.407 1.00 0.00 C ATOM 1632 OD1 ASP A 105 -20.576 8.136 -2.725 1.00 0.00 O ATOM 1633 OD2 ASP A 105 -22.766 8.219 -2.682 1.00 0.00 O ATOM 0 H ASP A 105 -21.917 5.354 0.671 1.00 0.00 H new ATOM 0 HA ASP A 105 -19.665 5.916 -1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -21.779 5.517 -2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -22.680 6.378 -1.000 1.00 0.00 H new ATOM 1638 N PRO A 106 -18.988 7.806 0.464 1.00 0.00 N ATOM 1639 CA PRO A 106 -18.556 8.994 1.188 1.00 0.00 C ATOM 1640 C PRO A 106 -18.532 10.283 0.352 1.00 0.00 C ATOM 1641 O PRO A 106 -18.786 11.345 0.925 1.00 0.00 O ATOM 1642 CB PRO A 106 -17.156 8.659 1.695 1.00 0.00 C ATOM 1643 CG PRO A 106 -16.638 7.743 0.601 1.00 0.00 C ATOM 1644 CD PRO A 106 -17.849 6.947 0.194 1.00 0.00 C ATOM 0 HA PRO A 106 -19.269 9.214 1.982 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -16.538 9.550 1.808 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -17.181 8.163 2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -16.232 8.310 -0.237 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -15.839 7.097 0.965 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -17.804 6.676 -0.861 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -17.916 6.018 0.760 1.00 0.00 H new ATOM 1652 N GLY A 107 -18.248 10.249 -0.956 1.00 0.00 N ATOM 1653 CA GLY A 107 -18.178 11.447 -1.787 1.00 0.00 C ATOM 1654 C GLY A 107 -17.083 11.371 -2.838 1.00 0.00 C ATOM 1655 O GLY A 107 -17.276 10.875 -3.947 1.00 0.00 O ATOM 0 H GLY A 107 -18.061 9.385 -1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -19.138 11.599 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -18.005 12.315 -1.151 1.00 0.00 H new ATOM 1659 N ASP A 108 -15.933 11.941 -2.499 1.00 0.00 N ATOM 1660 CA ASP A 108 -14.781 12.127 -3.388 1.00 0.00 C ATOM 1661 C ASP A 108 -13.505 12.258 -2.600 1.00 0.00 C ATOM 1662 O ASP A 108 -12.467 12.532 -3.190 1.00 0.00 O ATOM 1663 CB ASP A 108 -14.862 13.420 -4.219 1.00 0.00 C ATOM 1664 CG ASP A 108 -16.201 13.819 -4.824 1.00 0.00 C ATOM 1665 OD1 ASP A 108 -16.969 14.530 -4.136 1.00 0.00 O ATOM 1666 OD2 ASP A 108 -16.431 13.546 -6.025 1.00 0.00 O ATOM 0 H ASP A 108 -15.766 12.303 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 108 -14.792 11.249 -4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -14.528 14.241 -3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -14.144 13.334 -5.034 1.00 0.00 H new ATOM 1671 N SER A 109 -13.520 12.075 -1.294 1.00 0.00 N ATOM 1672 CA SER A 109 -12.317 11.560 -0.669 1.00 0.00 C ATOM 1673 C SER A 109 -12.693 10.611 0.447 1.00 0.00 C ATOM 1674 O SER A 109 -13.802 10.752 0.966 1.00 0.00 O ATOM 1675 CB SER A 109 -11.408 12.701 -0.228 1.00 0.00 C ATOM 1676 OG SER A 109 -12.096 13.888 0.127 1.00 0.00 O ATOM 0 H SER A 109 -14.306 12.263 -0.672 1.00 0.00 H new ATOM 0 HA SER A 109 -11.735 10.985 -1.389 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.815 12.369 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.710 12.926 -1.034 1.00 0.00 H new ATOM 0 HG SER A 109 -11.449 14.572 0.400 1.00 0.00 H new ATOM 1682 N VAL A 110 -11.830 9.648 0.823 1.00 0.00 N ATOM 1683 CA VAL A 110 -12.294 8.694 1.828 1.00 0.00 C ATOM 1684 C VAL A 110 -11.325 8.655 2.970 1.00 0.00 C ATOM 1685 O VAL A 110 -10.210 9.164 2.837 1.00 0.00 O ATOM 1686 CB VAL A 110 -12.658 7.327 1.221 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -13.480 7.535 -0.041 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -11.502 6.403 0.862 1.00 0.00 C ATOM 0 H VAL A 110 -10.880 9.518 0.474 1.00 0.00 H new ATOM 0 HA VAL A 110 -13.242 9.034 2.245 1.00 0.00 H new ATOM 0 HB VAL A 110 -13.201 6.828 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -13.738 6.567 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -14.393 8.078 0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -12.899 8.110 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -11.894 5.475 0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.862 6.890 0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.922 6.181 1.758 1.00 0.00 H new ATOM 1698 N GLN A 111 -11.758 8.072 4.079 1.00 0.00 N ATOM 1699 CA GLN A 111 -10.865 7.728 5.150 1.00 0.00 C ATOM 1700 C GLN A 111 -10.639 6.232 5.000 1.00 0.00 C ATOM 1701 O GLN A 111 -11.519 5.434 5.327 1.00 0.00 O ATOM 1702 CB GLN A 111 -11.420 8.229 6.488 1.00 0.00 C ATOM 1703 CG GLN A 111 -10.387 8.123 7.614 1.00 0.00 C ATOM 1704 CD GLN A 111 -10.562 6.822 8.394 1.00 0.00 C ATOM 1705 OE1 GLN A 111 -11.298 6.773 9.374 1.00 0.00 O ATOM 1706 NE2 GLN A 111 -9.916 5.733 8.014 1.00 0.00 N ATOM 0 H GLN A 111 -12.734 7.830 4.251 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.891 8.215 5.117 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -11.737 9.267 6.383 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -12.305 7.651 6.753 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -9.381 8.168 7.196 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -10.490 8.973 8.289 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -9.301 5.762 7.200 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -10.032 4.863 8.534 1.00 0.00 H new ATOM 1715 N CYS A 112 -9.497 5.870 4.407 1.00 0.00 N ATOM 1716 CA CYS A 112 -9.047 4.479 4.328 1.00 0.00 C ATOM 1717 C CYS A 112 -7.956 4.241 5.371 1.00 0.00 C ATOM 1718 O CYS A 112 -7.723 5.097 6.227 1.00 0.00 O ATOM 1719 CB CYS A 112 -8.569 4.116 2.906 1.00 0.00 C ATOM 1720 SG CYS A 112 -6.860 4.605 2.600 1.00 0.00 S ATOM 0 H CYS A 112 -8.859 6.534 3.968 1.00 0.00 H new ATOM 0 HA CYS A 112 -9.889 3.822 4.545 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -8.667 3.041 2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -9.217 4.599 2.175 1.00 0.00 H new ATOM 0 HG CYS A 112 -6.071 3.603 2.849 1.00 0.00 H new ATOM 1726 N PHE A 113 -7.256 3.111 5.244 1.00 0.00 N ATOM 1727 CA PHE A 113 -6.015 2.800 5.935 1.00 0.00 C ATOM 1728 C PHE A 113 -4.924 2.516 4.887 1.00 0.00 C ATOM 1729 O PHE A 113 -5.251 2.025 3.800 1.00 0.00 O ATOM 1730 CB PHE A 113 -6.292 1.631 6.892 1.00 0.00 C ATOM 1731 CG PHE A 113 -7.427 1.945 7.853 1.00 0.00 C ATOM 1732 CD1 PHE A 113 -7.181 2.706 9.012 1.00 0.00 C ATOM 1733 CD2 PHE A 113 -8.752 1.610 7.510 1.00 0.00 C ATOM 1734 CE1 PHE A 113 -8.248 3.110 9.832 1.00 0.00 C ATOM 1735 CE2 PHE A 113 -9.819 2.054 8.305 1.00 0.00 C ATOM 1736 CZ PHE A 113 -9.569 2.794 9.473 1.00 0.00 C ATOM 0 H PHE A 113 -7.558 2.357 4.627 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.647 3.629 6.539 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -6.540 0.740 6.315 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -5.389 1.403 7.458 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.169 2.980 9.271 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.946 1.010 6.633 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -8.053 3.664 10.739 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -10.835 1.827 8.019 1.00 0.00 H new ATOM 0 HZ PHE A 113 -10.391 3.119 10.094 1.00 0.00 H new ATOM 1746 N VAL A 114 -3.676 2.881 5.197 1.00 0.00 N ATOM 1747 CA VAL A 114 -2.429 2.710 4.436 1.00 0.00 C ATOM 1748 C VAL A 114 -1.325 2.315 5.434 1.00 0.00 C ATOM 1749 O VAL A 114 -1.266 2.882 6.535 1.00 0.00 O ATOM 1750 CB VAL A 114 -2.112 4.004 3.626 1.00 0.00 C ATOM 1751 CG1 VAL A 114 -0.677 4.120 3.134 1.00 0.00 C ATOM 1752 CG2 VAL A 114 -2.894 4.106 2.316 1.00 0.00 C ATOM 0 H VAL A 114 -3.493 3.354 6.082 1.00 0.00 H new ATOM 0 HA VAL A 114 -2.512 1.917 3.693 1.00 0.00 H new ATOM 0 HB VAL A 114 -2.366 4.768 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.556 5.052 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.002 4.112 3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -0.448 3.279 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.626 5.030 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.652 3.254 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -3.963 4.107 2.529 1.00 0.00 H new ATOM 1762 N TYR A 115 -0.464 1.350 5.075 1.00 0.00 N ATOM 1763 CA TYR A 115 0.573 0.789 5.941 1.00 0.00 C ATOM 1764 C TYR A 115 1.791 1.691 6.006 1.00 0.00 C ATOM 1765 O TYR A 115 2.813 1.484 5.343 1.00 0.00 O ATOM 1766 CB TYR A 115 0.971 -0.630 5.524 1.00 0.00 C ATOM 1767 CG TYR A 115 0.229 -1.689 6.284 1.00 0.00 C ATOM 1768 CD1 TYR A 115 0.409 -1.761 7.677 1.00 0.00 C ATOM 1769 CD2 TYR A 115 -0.571 -2.630 5.612 1.00 0.00 C ATOM 1770 CE1 TYR A 115 -0.156 -2.812 8.400 1.00 0.00 C ATOM 1771 CE2 TYR A 115 -1.127 -3.695 6.335 1.00 0.00 C ATOM 1772 CZ TYR A 115 -0.863 -3.809 7.716 1.00 0.00 C ATOM 1773 OH TYR A 115 -1.318 -4.865 8.415 1.00 0.00 O ATOM 0 H TYR A 115 -0.474 0.929 4.146 1.00 0.00 H new ATOM 0 HA TYR A 115 0.142 0.726 6.940 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.784 -0.756 4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 115 2.042 -0.762 5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.985 -1.003 8.187 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -0.755 -2.534 4.552 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.050 -2.856 9.474 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -1.752 -4.422 5.839 1.00 0.00 H new ATOM 0 HH TYR A 115 -0.724 -5.632 8.273 1.00 0.00 H new ATOM 1783 N THR A 116 1.680 2.715 6.830 1.00 0.00 N ATOM 1784 CA THR A 116 2.737 3.673 7.016 1.00 0.00 C ATOM 1785 C THR A 116 3.782 3.115 7.974 1.00 0.00 C ATOM 1786 O THR A 116 3.594 2.060 8.588 1.00 0.00 O ATOM 1787 CB THR A 116 2.128 4.970 7.543 1.00 0.00 C ATOM 1788 OG1 THR A 116 1.412 4.650 8.722 1.00 0.00 O ATOM 1789 CG2 THR A 116 1.177 5.600 6.537 1.00 0.00 C ATOM 0 H THR A 116 0.847 2.901 7.389 1.00 0.00 H new ATOM 0 HA THR A 116 3.238 3.878 6.070 1.00 0.00 H new ATOM 0 HB THR A 116 2.925 5.690 7.732 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.708 3.778 9.058 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.766 6.520 6.952 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.717 5.826 5.618 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.365 4.906 6.320 1.00 0.00 H new ATOM 1797 N THR A 117 4.863 3.858 8.171 1.00 0.00 N ATOM 1798 CA THR A 117 5.759 3.670 9.289 1.00 0.00 C ATOM 1799 C THR A 117 6.058 5.079 9.803 1.00 0.00 C ATOM 1800 O THR A 117 6.351 5.985 9.013 1.00 0.00 O ATOM 1801 CB THR A 117 6.965 2.814 8.847 1.00 0.00 C ATOM 1802 OG1 THR A 117 7.772 2.510 9.959 1.00 0.00 O ATOM 1803 CG2 THR A 117 7.826 3.457 7.752 1.00 0.00 C ATOM 0 H THR A 117 5.140 4.616 7.547 1.00 0.00 H new ATOM 0 HA THR A 117 5.349 3.099 10.122 1.00 0.00 H new ATOM 0 HB THR A 117 6.542 1.908 8.413 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.779 1.541 10.103 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.651 2.791 7.500 1.00 0.00 H new ATOM 0 HG22 THR A 117 7.216 3.632 6.865 1.00 0.00 H new ATOM 0 HG23 THR A 117 8.223 4.406 8.112 1.00 0.00 H new ATOM 1811 N ALA A 118 5.908 5.288 11.113 1.00 0.00 N ATOM 1812 CA ALA A 118 6.300 6.518 11.791 1.00 0.00 C ATOM 1813 C ALA A 118 7.758 6.432 12.274 1.00 0.00 C ATOM 1814 O ALA A 118 8.266 7.406 12.831 1.00 0.00 O ATOM 1815 CB ALA A 118 5.326 6.792 12.943 1.00 0.00 C ATOM 0 H ALA A 118 5.503 4.593 11.740 1.00 0.00 H new ATOM 0 HA ALA A 118 6.249 7.355 11.094 1.00 0.00 H new ATOM 0 HB1 ALA A 118 5.615 7.711 13.453 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.316 6.899 12.548 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.354 5.961 13.648 1.00 0.00 H new ATOM 1821 N THR A 119 8.431 5.297 12.037 1.00 0.00 N ATOM 1822 CA THR A 119 9.802 4.995 12.441 1.00 0.00 C ATOM 1823 C THR A 119 10.707 4.798 11.210 1.00 0.00 C ATOM 1824 O THR A 119 11.667 4.031 11.245 1.00 0.00 O ATOM 1825 CB THR A 119 9.763 3.818 13.439 1.00 0.00 C ATOM 1826 OG1 THR A 119 11.000 3.643 14.098 1.00 0.00 O ATOM 1827 CG2 THR A 119 9.302 2.486 12.841 1.00 0.00 C ATOM 0 H THR A 119 8.003 4.523 11.528 1.00 0.00 H new ATOM 0 HA THR A 119 10.263 5.832 12.966 1.00 0.00 H new ATOM 0 HB THR A 119 9.002 4.111 14.162 1.00 0.00 H new ATOM 0 HG1 THR A 119 11.728 3.679 13.443 1.00 0.00 H new ATOM 0 HG21 THR A 119 9.306 1.719 13.615 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.293 2.595 12.444 1.00 0.00 H new ATOM 0 HG23 THR A 119 9.978 2.194 12.037 1.00 0.00 H new ATOM 1835 N TYR A 120 10.413 5.504 10.115 1.00 0.00 N ATOM 1836 CA TYR A 120 11.331 5.652 8.986 1.00 0.00 C ATOM 1837 C TYR A 120 12.664 6.249 9.472 1.00 0.00 C ATOM 1838 O TYR A 120 12.722 6.858 10.544 1.00 0.00 O ATOM 1839 CB TYR A 120 10.669 6.562 7.934 1.00 0.00 C ATOM 1840 CG TYR A 120 10.389 7.961 8.463 1.00 0.00 C ATOM 1841 CD1 TYR A 120 9.178 8.251 9.121 1.00 0.00 C ATOM 1842 CD2 TYR A 120 11.418 8.916 8.448 1.00 0.00 C ATOM 1843 CE1 TYR A 120 9.054 9.434 9.876 1.00 0.00 C ATOM 1844 CE2 TYR A 120 11.323 10.076 9.230 1.00 0.00 C ATOM 1845 CZ TYR A 120 10.152 10.322 9.977 1.00 0.00 C ATOM 1846 OH TYR A 120 10.073 11.426 10.768 1.00 0.00 O ATOM 0 H TYR A 120 9.526 5.991 9.988 1.00 0.00 H new ATOM 0 HA TYR A 120 11.543 4.681 8.538 1.00 0.00 H new ATOM 0 HB2 TYR A 120 11.316 6.631 7.060 1.00 0.00 H new ATOM 0 HB3 TYR A 120 9.734 6.109 7.604 1.00 0.00 H new ATOM 0 HD1 TYR A 120 8.345 7.567 9.047 1.00 0.00 H new ATOM 0 HD2 TYR A 120 12.289 8.756 7.830 1.00 0.00 H new ATOM 0 HE1 TYR A 120 8.124 9.663 10.376 1.00 0.00 H new ATOM 0 HE2 TYR A 120 12.143 10.778 9.260 1.00 0.00 H new ATOM 0 HH TYR A 120 10.916 11.923 10.721 1.00 0.00 H new ATOM 1856 N ALA A 121 13.720 6.142 8.663 1.00 0.00 N ATOM 1857 CA ALA A 121 15.000 6.800 8.908 1.00 0.00 C ATOM 1858 C ALA A 121 15.102 8.100 8.098 1.00 0.00 C ATOM 1859 O ALA A 121 14.511 8.190 7.019 1.00 0.00 O ATOM 1860 CB ALA A 121 16.113 5.839 8.496 1.00 0.00 C ATOM 0 H ALA A 121 13.707 5.587 7.807 1.00 0.00 H new ATOM 0 HA ALA A 121 15.089 7.055 9.964 1.00 0.00 H new ATOM 0 HB1 ALA A 121 17.081 6.308 8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 121 16.041 4.925 9.086 1.00 0.00 H new ATOM 0 HB3 ALA A 121 16.012 5.597 7.438 1.00 0.00 H new ATOM 1866 N PRO A 122 15.911 9.087 8.523 1.00 0.00 N ATOM 1867 CA PRO A 122 16.065 10.345 7.797 1.00 0.00 C ATOM 1868 C PRO A 122 16.693 10.118 6.425 1.00 0.00 C ATOM 1869 O PRO A 122 16.321 10.776 5.458 1.00 0.00 O ATOM 1870 CB PRO A 122 16.963 11.224 8.669 1.00 0.00 C ATOM 1871 CG PRO A 122 17.749 10.218 9.501 1.00 0.00 C ATOM 1872 CD PRO A 122 16.781 9.055 9.684 1.00 0.00 C ATOM 0 HA PRO A 122 15.099 10.816 7.615 1.00 0.00 H new ATOM 0 HB2 PRO A 122 17.622 11.847 8.065 1.00 0.00 H new ATOM 0 HB3 PRO A 122 16.378 11.895 9.298 1.00 0.00 H new ATOM 0 HG2 PRO A 122 18.660 9.903 8.991 1.00 0.00 H new ATOM 0 HG3 PRO A 122 18.050 10.641 10.459 1.00 0.00 H new ATOM 0 HD2 PRO A 122 17.315 8.107 9.748 1.00 0.00 H new ATOM 0 HD3 PRO A 122 16.209 9.162 10.606 1.00 0.00 H new ATOM 1880 N GLU A 123 17.584 9.134 6.314 1.00 0.00 N ATOM 1881 CA GLU A 123 18.226 8.760 5.068 1.00 0.00 C ATOM 1882 C GLU A 123 17.247 8.160 4.057 1.00 0.00 C ATOM 1883 O GLU A 123 17.618 7.959 2.901 1.00 0.00 O ATOM 1884 CB GLU A 123 19.420 7.844 5.374 1.00 0.00 C ATOM 1885 CG GLU A 123 19.118 6.565 6.167 1.00 0.00 C ATOM 1886 CD GLU A 123 20.269 6.242 7.128 1.00 0.00 C ATOM 1887 OE1 GLU A 123 21.356 5.850 6.636 1.00 0.00 O ATOM 1888 OE2 GLU A 123 20.126 6.495 8.349 1.00 0.00 O ATOM 0 H GLU A 123 17.882 8.567 7.108 1.00 0.00 H new ATOM 0 HA GLU A 123 18.601 9.659 4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 123 19.881 7.558 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 123 20.160 8.422 5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.192 6.689 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 123 18.966 5.732 5.480 1.00 0.00 H new ATOM 1895 N TRP A 124 15.995 7.904 4.447 1.00 0.00 N ATOM 1896 CA TRP A 124 14.936 7.534 3.527 1.00 0.00 C ATOM 1897 C TRP A 124 14.089 8.746 3.137 1.00 0.00 C ATOM 1898 O TRP A 124 13.437 8.705 2.102 1.00 0.00 O ATOM 1899 CB TRP A 124 14.087 6.420 4.142 1.00 0.00 C ATOM 1900 CG TRP A 124 14.720 5.064 4.258 1.00 0.00 C ATOM 1901 CD1 TRP A 124 16.009 4.722 4.010 1.00 0.00 C ATOM 1902 CD2 TRP A 124 14.076 3.844 4.718 1.00 0.00 C ATOM 1903 NE1 TRP A 124 16.172 3.361 4.192 1.00 0.00 N ATOM 1904 CE2 TRP A 124 15.021 2.779 4.671 1.00 0.00 C ATOM 1905 CE3 TRP A 124 12.793 3.549 5.220 1.00 0.00 C ATOM 1906 CZ2 TRP A 124 14.703 1.479 5.086 1.00 0.00 C ATOM 1907 CZ3 TRP A 124 12.471 2.255 5.665 1.00 0.00 C ATOM 1908 CH2 TRP A 124 13.419 1.219 5.588 1.00 0.00 C ATOM 0 H TRP A 124 15.694 7.950 5.420 1.00 0.00 H new ATOM 0 HA TRP A 124 15.382 7.158 2.607 1.00 0.00 H new ATOM 0 HB2 TRP A 124 13.783 6.738 5.139 1.00 0.00 H new ATOM 0 HB3 TRP A 124 13.178 6.320 3.548 1.00 0.00 H new ATOM 0 HD1 TRP A 124 16.789 5.408 3.715 1.00 0.00 H new ATOM 0 HE1 TRP A 124 17.035 2.854 3.996 1.00 0.00 H new ATOM 0 HE3 TRP A 124 12.046 4.328 5.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 15.436 0.688 5.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 11.489 2.055 6.069 1.00 0.00 H new ATOM 0 HH2 TRP A 124 13.159 0.223 5.915 1.00 0.00 H new ATOM 1919 N LEU A 125 14.116 9.853 3.888 1.00 0.00 N ATOM 1920 CA LEU A 125 13.401 11.072 3.502 1.00 0.00 C ATOM 1921 C LEU A 125 14.148 11.872 2.439 1.00 0.00 C ATOM 1922 O LEU A 125 13.538 12.741 1.808 1.00 0.00 O ATOM 1923 CB LEU A 125 13.137 11.966 4.725 1.00 0.00 C ATOM 1924 CG LEU A 125 11.869 11.568 5.496 1.00 0.00 C ATOM 1925 CD1 LEU A 125 11.816 12.390 6.785 1.00 0.00 C ATOM 1926 CD2 LEU A 125 10.593 11.833 4.681 1.00 0.00 C ATOM 0 H LEU A 125 14.627 9.928 4.768 1.00 0.00 H new ATOM 0 HA LEU A 125 12.451 10.750 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.994 11.917 5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.047 13.002 4.398 1.00 0.00 H new ATOM 0 HG LEU A 125 11.913 10.499 5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.922 12.124 7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.701 12.181 7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.787 13.451 6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 125 9.721 11.537 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 125 10.527 12.895 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.625 11.255 3.757 1.00 0.00 H new ATOM 1938 N PHE A 126 15.441 11.604 2.247 1.00 0.00 N ATOM 1939 CA PHE A 126 16.242 12.211 1.190 1.00 0.00 C ATOM 1940 C PHE A 126 15.950 11.543 -0.167 1.00 0.00 C ATOM 1941 O PHE A 126 16.138 12.170 -1.218 1.00 0.00 O ATOM 1942 CB PHE A 126 17.737 12.102 1.555 1.00 0.00 C ATOM 1943 CG PHE A 126 18.151 12.533 2.965 1.00 0.00 C ATOM 1944 CD1 PHE A 126 17.398 13.465 3.713 1.00 0.00 C ATOM 1945 CD2 PHE A 126 19.307 11.974 3.547 1.00 0.00 C ATOM 1946 CE1 PHE A 126 17.764 13.785 5.033 1.00 0.00 C ATOM 1947 CE2 PHE A 126 19.685 12.309 4.860 1.00 0.00 C ATOM 1948 CZ PHE A 126 18.909 13.208 5.608 1.00 0.00 C ATOM 0 H PHE A 126 15.965 10.951 2.830 1.00 0.00 H new ATOM 0 HA PHE A 126 15.978 13.265 1.098 1.00 0.00 H new ATOM 0 HB2 PHE A 126 18.043 11.065 1.416 1.00 0.00 H new ATOM 0 HB3 PHE A 126 18.303 12.700 0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 126 16.534 13.936 3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 126 19.909 11.281 2.978 1.00 0.00 H new ATOM 0 HE1 PHE A 126 17.163 14.476 5.606 1.00 0.00 H new ATOM 0 HE2 PHE A 126 20.574 11.874 5.293 1.00 0.00 H new ATOM 0 HZ PHE A 126 19.191 13.455 6.621 1.00 0.00 H new ATOM 1958 N LEU A 127 15.488 10.281 -0.147 1.00 0.00 N ATOM 1959 CA LEU A 127 15.257 9.463 -1.337 1.00 0.00 C ATOM 1960 C LEU A 127 14.231 10.130 -2.262 1.00 0.00 C ATOM 1961 O LEU A 127 13.353 10.850 -1.784 1.00 0.00 O ATOM 1962 CB LEU A 127 14.744 8.058 -0.956 1.00 0.00 C ATOM 1963 CG LEU A 127 15.755 7.122 -0.274 1.00 0.00 C ATOM 1964 CD1 LEU A 127 15.076 5.835 0.209 1.00 0.00 C ATOM 1965 CD2 LEU A 127 16.878 6.740 -1.238 1.00 0.00 C ATOM 0 H LEU A 127 15.261 9.795 0.721 1.00 0.00 H new ATOM 0 HA LEU A 127 16.211 9.368 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 127 13.887 8.176 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 127 14.383 7.569 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 127 16.166 7.662 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 127 15.814 5.192 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 127 14.293 6.084 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 127 14.637 5.314 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 127 17.581 6.077 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 127 16.456 6.230 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 127 17.399 7.640 -1.565 1.00 0.00 H new ATOM 1977 N PRO A 128 14.318 9.877 -3.579 1.00 0.00 N ATOM 1978 CA PRO A 128 13.397 10.431 -4.553 1.00 0.00 C ATOM 1979 C PRO A 128 12.063 9.695 -4.456 1.00 0.00 C ATOM 1980 O PRO A 128 12.035 8.474 -4.243 1.00 0.00 O ATOM 1981 CB PRO A 128 14.070 10.221 -5.910 1.00 0.00 C ATOM 1982 CG PRO A 128 14.899 8.957 -5.703 1.00 0.00 C ATOM 1983 CD PRO A 128 15.296 9.023 -4.230 1.00 0.00 C ATOM 0 HA PRO A 128 13.185 11.488 -4.392 1.00 0.00 H new ATOM 0 HB2 PRO A 128 13.337 10.094 -6.707 1.00 0.00 H new ATOM 0 HB3 PRO A 128 14.695 11.071 -6.184 1.00 0.00 H new ATOM 0 HG2 PRO A 128 14.322 8.059 -5.922 1.00 0.00 H new ATOM 0 HG3 PRO A 128 15.774 8.941 -6.353 1.00 0.00 H new ATOM 0 HD2 PRO A 128 15.301 8.028 -3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 128 16.302 9.428 -4.117 1.00 0.00 H new ATOM 1991 N TYR A 129 10.975 10.442 -4.621 1.00 0.00 N ATOM 1992 CA TYR A 129 9.629 9.927 -4.473 1.00 0.00 C ATOM 1993 C TYR A 129 9.113 9.318 -5.775 1.00 0.00 C ATOM 1994 O TYR A 129 9.683 9.506 -6.854 1.00 0.00 O ATOM 1995 CB TYR A 129 8.702 11.020 -3.904 1.00 0.00 C ATOM 1996 CG TYR A 129 9.144 11.571 -2.557 1.00 0.00 C ATOM 1997 CD1 TYR A 129 9.554 10.688 -1.544 1.00 0.00 C ATOM 1998 CD2 TYR A 129 9.203 12.959 -2.328 1.00 0.00 C ATOM 1999 CE1 TYR A 129 10.110 11.178 -0.351 1.00 0.00 C ATOM 2000 CE2 TYR A 129 9.710 13.461 -1.117 1.00 0.00 C ATOM 2001 CZ TYR A 129 10.209 12.569 -0.143 1.00 0.00 C ATOM 2002 OH TYR A 129 10.811 13.031 0.985 1.00 0.00 O ATOM 0 H TYR A 129 11.010 11.432 -4.864 1.00 0.00 H new ATOM 0 HA TYR A 129 9.641 9.109 -3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 129 8.645 11.841 -4.619 1.00 0.00 H new ATOM 0 HB3 TYR A 129 7.696 10.613 -3.805 1.00 0.00 H new ATOM 0 HD1 TYR A 129 9.441 9.623 -1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 129 8.856 13.643 -3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 129 10.461 10.491 0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 129 9.718 14.525 -0.932 1.00 0.00 H new ATOM 0 HH TYR A 129 11.759 12.783 0.975 1.00 0.00 H new ATOM 2012 N HIS A 130 8.002 8.589 -5.673 1.00 0.00 N ATOM 2013 CA HIS A 130 7.280 7.990 -6.787 1.00 0.00 C ATOM 2014 C HIS A 130 5.779 8.218 -6.578 1.00 0.00 C ATOM 2015 O HIS A 130 5.363 8.669 -5.510 1.00 0.00 O ATOM 2016 CB HIS A 130 7.613 6.494 -6.874 1.00 0.00 C ATOM 2017 CG HIS A 130 9.082 6.184 -7.038 1.00 0.00 C ATOM 2018 ND1 HIS A 130 9.754 6.058 -8.233 1.00 0.00 N ATOM 2019 CD2 HIS A 130 9.989 6.001 -6.029 1.00 0.00 C ATOM 2020 CE1 HIS A 130 11.041 5.793 -7.954 1.00 0.00 C ATOM 2021 NE2 HIS A 130 11.223 5.716 -6.623 1.00 0.00 N ATOM 0 H HIS A 130 7.565 8.394 -4.772 1.00 0.00 H new ATOM 0 HA HIS A 130 7.577 8.452 -7.728 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.250 6.002 -5.972 1.00 0.00 H new ATOM 0 HB3 HIS A 130 7.068 6.062 -7.714 1.00 0.00 H new ATOM 0 HD2 HIS A 130 9.789 6.065 -4.970 1.00 0.00 H new ATOM 0 HE1 HIS A 130 11.818 5.661 -8.692 1.00 0.00 H new ATOM 0 HE2 HIS A 130 12.093 5.493 -6.140 1.00 0.00 H new ATOM 2029 N GLU A 131 4.966 7.898 -7.585 1.00 0.00 N ATOM 2030 CA GLU A 131 3.544 8.269 -7.680 1.00 0.00 C ATOM 2031 C GLU A 131 2.659 7.046 -7.958 1.00 0.00 C ATOM 2032 O GLU A 131 1.444 7.040 -7.776 1.00 0.00 O ATOM 2033 CB GLU A 131 3.461 9.290 -8.817 1.00 0.00 C ATOM 2034 CG GLU A 131 2.148 10.085 -8.884 1.00 0.00 C ATOM 2035 CD GLU A 131 2.234 11.347 -9.756 1.00 0.00 C ATOM 2036 OE1 GLU A 131 3.331 11.693 -10.257 1.00 0.00 O ATOM 2037 OE2 GLU A 131 1.187 12.012 -9.941 1.00 0.00 O ATOM 0 H GLU A 131 5.285 7.355 -8.387 1.00 0.00 H new ATOM 0 HA GLU A 131 3.178 8.686 -6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 131 4.288 9.992 -8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 131 3.601 8.768 -9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 131 1.361 9.438 -9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 131 1.855 10.371 -7.874 1.00 0.00 H new ATOM 2044 N SER A 132 3.289 5.961 -8.373 1.00 0.00 N ATOM 2045 CA SER A 132 2.724 4.633 -8.370 1.00 0.00 C ATOM 2046 C SER A 132 3.903 3.688 -8.278 1.00 0.00 C ATOM 2047 O SER A 132 5.001 3.994 -8.761 1.00 0.00 O ATOM 2048 CB SER A 132 1.896 4.422 -9.646 1.00 0.00 C ATOM 2049 OG SER A 132 1.338 3.124 -9.814 1.00 0.00 O ATOM 0 H SER A 132 4.243 5.987 -8.734 1.00 0.00 H new ATOM 0 HA SER A 132 2.043 4.462 -7.536 1.00 0.00 H new ATOM 0 HB2 SER A 132 1.085 5.150 -9.654 1.00 0.00 H new ATOM 0 HB3 SER A 132 2.528 4.639 -10.507 1.00 0.00 H new ATOM 0 HG SER A 132 2.056 2.456 -9.810 1.00 0.00 H new ATOM 2055 N TYR A 133 3.661 2.528 -7.688 1.00 0.00 N ATOM 2056 CA TYR A 133 4.554 1.399 -7.843 1.00 0.00 C ATOM 2057 C TYR A 133 4.218 0.688 -9.146 1.00 0.00 C ATOM 2058 O TYR A 133 3.174 0.959 -9.752 1.00 0.00 O ATOM 2059 CB TYR A 133 4.355 0.450 -6.662 1.00 0.00 C ATOM 2060 CG TYR A 133 5.420 -0.618 -6.456 1.00 0.00 C ATOM 2061 CD1 TYR A 133 6.792 -0.306 -6.568 1.00 0.00 C ATOM 2062 CD2 TYR A 133 5.031 -1.903 -6.030 1.00 0.00 C ATOM 2063 CE1 TYR A 133 7.766 -1.246 -6.194 1.00 0.00 C ATOM 2064 CE2 TYR A 133 6.001 -2.847 -5.654 1.00 0.00 C ATOM 2065 CZ TYR A 133 7.370 -2.505 -5.699 1.00 0.00 C ATOM 2066 OH TYR A 133 8.299 -3.359 -5.201 1.00 0.00 O ATOM 0 H TYR A 133 2.850 2.347 -7.096 1.00 0.00 H new ATOM 0 HA TYR A 133 5.592 1.730 -7.869 1.00 0.00 H new ATOM 0 HB2 TYR A 133 4.292 1.047 -5.752 1.00 0.00 H new ATOM 0 HB3 TYR A 133 3.393 -0.048 -6.784 1.00 0.00 H new ATOM 0 HD1 TYR A 133 7.094 0.661 -6.943 1.00 0.00 H new ATOM 0 HD2 TYR A 133 3.984 -2.163 -5.992 1.00 0.00 H new ATOM 0 HE1 TYR A 133 8.815 -1.005 -6.285 1.00 0.00 H new ATOM 0 HE2 TYR A 133 5.700 -3.833 -5.331 1.00 0.00 H new ATOM 0 HH TYR A 133 8.010 -3.680 -4.322 1.00 0.00 H new ATOM 2076 N ASP A 134 5.087 -0.250 -9.518 1.00 0.00 N ATOM 2077 CA ASP A 134 4.841 -1.435 -10.335 1.00 0.00 C ATOM 2078 C ASP A 134 6.181 -2.118 -10.579 1.00 0.00 C ATOM 2079 O ASP A 134 7.202 -1.437 -10.685 1.00 0.00 O ATOM 2080 CB ASP A 134 4.184 -1.098 -11.680 1.00 0.00 C ATOM 2081 CG ASP A 134 2.711 -1.501 -11.697 1.00 0.00 C ATOM 2082 OD1 ASP A 134 2.385 -2.639 -11.281 1.00 0.00 O ATOM 2083 OD2 ASP A 134 1.895 -0.693 -12.194 1.00 0.00 O ATOM 0 H ASP A 134 6.064 -0.195 -9.231 1.00 0.00 H new ATOM 0 HA ASP A 134 4.149 -2.086 -9.802 1.00 0.00 H new ATOM 0 HB2 ASP A 134 4.272 -0.029 -11.872 1.00 0.00 H new ATOM 0 HB3 ASP A 134 4.712 -1.611 -12.484 1.00 0.00 H new ATOM 2088 N SER A 135 6.204 -3.445 -10.695 1.00 0.00 N ATOM 2089 CA SER A 135 7.398 -4.194 -11.067 1.00 0.00 C ATOM 2090 C SER A 135 7.787 -3.829 -12.513 1.00 0.00 C ATOM 2091 O SER A 135 8.969 -3.754 -12.845 1.00 0.00 O ATOM 2092 CB SER A 135 7.127 -5.698 -10.895 1.00 0.00 C ATOM 2093 OG SER A 135 8.302 -6.396 -10.530 1.00 0.00 O ATOM 0 H SER A 135 5.387 -4.033 -10.532 1.00 0.00 H new ATOM 0 HA SER A 135 8.238 -3.937 -10.421 1.00 0.00 H new ATOM 0 HB2 SER A 135 6.362 -5.847 -10.133 1.00 0.00 H new ATOM 0 HB3 SER A 135 6.733 -6.107 -11.825 1.00 0.00 H new ATOM 0 HG SER A 135 8.098 -7.349 -10.426 1.00 0.00 H new ATOM 2099 N GLU A 136 6.800 -3.516 -13.360 1.00 0.00 N ATOM 2100 CA GLU A 136 6.912 -2.915 -14.681 1.00 0.00 C ATOM 2101 C GLU A 136 7.184 -1.421 -14.484 1.00 0.00 C ATOM 2102 O GLU A 136 6.345 -0.555 -14.776 1.00 0.00 O ATOM 2103 CB GLU A 136 5.617 -3.123 -15.489 1.00 0.00 C ATOM 2104 CG GLU A 136 5.248 -4.579 -15.787 1.00 0.00 C ATOM 2105 CD GLU A 136 3.849 -4.641 -16.396 1.00 0.00 C ATOM 2106 OE1 GLU A 136 2.844 -4.602 -15.645 1.00 0.00 O ATOM 2107 OE2 GLU A 136 3.736 -4.728 -17.645 1.00 0.00 O ATOM 0 H GLU A 136 5.826 -3.693 -13.113 1.00 0.00 H new ATOM 0 HA GLU A 136 7.722 -3.383 -15.241 1.00 0.00 H new ATOM 0 HB2 GLU A 136 4.793 -2.663 -14.944 1.00 0.00 H new ATOM 0 HB3 GLU A 136 5.711 -2.590 -16.435 1.00 0.00 H new ATOM 0 HG2 GLU A 136 5.974 -5.015 -16.474 1.00 0.00 H new ATOM 0 HG3 GLU A 136 5.283 -5.168 -14.870 1.00 0.00 H new ATOM 2114 N GLY A 137 8.355 -1.116 -13.941 1.00 0.00 N ATOM 2115 CA GLY A 137 8.953 0.213 -13.999 1.00 0.00 C ATOM 2116 C GLY A 137 10.407 0.148 -14.472 1.00 0.00 C ATOM 2117 O GLY A 137 11.091 -0.846 -14.231 1.00 0.00 O ATOM 0 H GLY A 137 8.926 -1.796 -13.439 1.00 0.00 H new ATOM 0 HA2 GLY A 137 8.376 0.844 -14.675 1.00 0.00 H new ATOM 0 HA3 GLY A 137 8.909 0.677 -13.014 1.00 0.00 H new ATOM 2121 N PRO A 138 10.937 1.228 -15.072 1.00 0.00 N ATOM 2122 CA PRO A 138 12.184 1.173 -15.836 1.00 0.00 C ATOM 2123 C PRO A 138 13.428 1.043 -14.956 1.00 0.00 C ATOM 2124 O PRO A 138 14.516 0.765 -15.468 1.00 0.00 O ATOM 2125 CB PRO A 138 12.224 2.477 -16.641 1.00 0.00 C ATOM 2126 CG PRO A 138 11.358 3.443 -15.833 1.00 0.00 C ATOM 2127 CD PRO A 138 10.313 2.537 -15.189 1.00 0.00 C ATOM 0 HA PRO A 138 12.198 0.285 -16.468 1.00 0.00 H new ATOM 0 HB2 PRO A 138 13.243 2.849 -16.747 1.00 0.00 H new ATOM 0 HB3 PRO A 138 11.830 2.336 -17.648 1.00 0.00 H new ATOM 0 HG2 PRO A 138 11.944 3.975 -15.083 1.00 0.00 H new ATOM 0 HG3 PRO A 138 10.896 4.197 -16.471 1.00 0.00 H new ATOM 0 HD2 PRO A 138 10.016 2.917 -14.211 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.411 2.486 -15.799 1.00 0.00 H new ATOM 2135 N HIS A 139 13.293 1.275 -13.650 1.00 0.00 N ATOM 2136 CA HIS A 139 14.390 1.354 -12.698 1.00 0.00 C ATOM 2137 C HIS A 139 14.990 -0.005 -12.330 1.00 0.00 C ATOM 2138 O HIS A 139 16.058 -0.053 -11.718 1.00 0.00 O ATOM 2139 CB HIS A 139 13.871 2.010 -11.419 1.00 0.00 C ATOM 2140 CG HIS A 139 13.567 3.477 -11.537 1.00 0.00 C ATOM 2141 ND1 HIS A 139 14.408 4.478 -11.121 1.00 0.00 N ATOM 2142 CD2 HIS A 139 12.429 4.065 -12.022 1.00 0.00 C ATOM 2143 CE1 HIS A 139 13.803 5.648 -11.347 1.00 0.00 C ATOM 2144 NE2 HIS A 139 12.603 5.448 -11.914 1.00 0.00 N ATOM 0 H HIS A 139 12.382 1.418 -13.215 1.00 0.00 H new ATOM 0 HA HIS A 139 15.181 1.932 -13.175 1.00 0.00 H new ATOM 0 HB2 HIS A 139 12.966 1.491 -11.104 1.00 0.00 H new ATOM 0 HB3 HIS A 139 14.610 1.870 -10.630 1.00 0.00 H new ATOM 0 HD2 HIS A 139 11.561 3.556 -12.414 1.00 0.00 H new ATOM 0 HE1 HIS A 139 14.220 6.615 -11.108 1.00 0.00 H new ATOM 0 HE2 HIS A 139 11.944 6.168 -12.210 1.00 0.00 H new ATOM 2152 N GLY A 140 14.311 -1.116 -12.619 1.00 0.00 N ATOM 2153 CA GLY A 140 14.772 -2.423 -12.176 1.00 0.00 C ATOM 2154 C GLY A 140 14.358 -2.662 -10.725 1.00 0.00 C ATOM 2155 O GLY A 140 13.563 -3.561 -10.472 1.00 0.00 O ATOM 0 H GLY A 140 13.444 -1.132 -13.156 1.00 0.00 H new ATOM 0 HA2 GLY A 140 14.353 -3.201 -12.815 1.00 0.00 H new ATOM 0 HA3 GLY A 140 15.856 -2.485 -12.268 1.00 0.00 H new ATOM 2159 N LEU A 141 14.842 -1.833 -9.788 1.00 0.00 N ATOM 2160 CA LEU A 141 14.634 -1.930 -8.337 1.00 0.00 C ATOM 2161 C LEU A 141 13.155 -1.986 -7.918 1.00 0.00 C ATOM 2162 O LEU A 141 12.551 -0.957 -7.621 1.00 0.00 O ATOM 2163 CB LEU A 141 15.437 -0.852 -7.560 1.00 0.00 C ATOM 2164 CG LEU A 141 15.581 0.588 -8.104 1.00 0.00 C ATOM 2165 CD1 LEU A 141 14.282 1.399 -8.079 1.00 0.00 C ATOM 2166 CD2 LEU A 141 16.600 1.350 -7.247 1.00 0.00 C ATOM 0 H LEU A 141 15.422 -1.032 -10.038 1.00 0.00 H new ATOM 0 HA LEU A 141 15.040 -2.900 -8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 141 14.989 -0.774 -6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 141 16.445 -1.243 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 141 15.892 0.482 -9.143 1.00 0.00 H new ATOM 0 HD11 LEU A 141 14.468 2.397 -8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 141 13.530 0.900 -8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 141 13.922 1.479 -7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 141 16.706 2.367 -7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 141 16.255 1.382 -6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 141 17.564 0.844 -7.292 1.00 0.00 H new ATOM 2178 N ARG A 142 12.573 -3.184 -7.884 1.00 0.00 N ATOM 2179 CA ARG A 142 11.252 -3.576 -7.400 1.00 0.00 C ATOM 2180 C ARG A 142 11.348 -4.936 -6.726 1.00 0.00 C ATOM 2181 O ARG A 142 12.422 -5.527 -6.710 1.00 0.00 O ATOM 2182 CB ARG A 142 10.219 -3.588 -8.541 1.00 0.00 C ATOM 2183 CG ARG A 142 9.884 -2.138 -8.878 1.00 0.00 C ATOM 2184 CD ARG A 142 10.612 -1.593 -10.105 1.00 0.00 C ATOM 2185 NE ARG A 142 10.944 -0.173 -9.895 1.00 0.00 N ATOM 2186 CZ ARG A 142 10.095 0.859 -9.929 1.00 0.00 C ATOM 2187 NH1 ARG A 142 8.856 0.710 -10.380 1.00 0.00 N ATOM 2188 NH2 ARG A 142 10.488 2.053 -9.498 1.00 0.00 N ATOM 0 H ARG A 142 13.077 -3.998 -8.237 1.00 0.00 H new ATOM 0 HA ARG A 142 10.909 -2.842 -6.671 1.00 0.00 H new ATOM 0 HB2 ARG A 142 10.620 -4.101 -9.415 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.321 -4.128 -8.239 1.00 0.00 H new ATOM 0 HG2 ARG A 142 8.809 -2.054 -9.041 1.00 0.00 H new ATOM 0 HG3 ARG A 142 10.126 -1.512 -8.019 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.521 -2.166 -10.285 1.00 0.00 H new ATOM 0 HD3 ARG A 142 9.986 -1.703 -10.990 1.00 0.00 H new ATOM 0 HE ARG A 142 11.922 0.045 -9.704 1.00 0.00 H new ATOM 0 HH11 ARG A 142 8.539 -0.202 -10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 142 8.221 1.508 -10.399 1.00 0.00 H new ATOM 0 HH21 ARG A 142 11.435 2.180 -9.142 1.00 0.00 H new ATOM 0 HH22 ARG A 142 9.842 2.842 -9.523 1.00 0.00 H new ATOM 2202 N TYR A 143 10.251 -5.382 -6.113 1.00 0.00 N ATOM 2203 CA TYR A 143 10.318 -6.444 -5.122 1.00 0.00 C ATOM 2204 C TYR A 143 10.796 -7.735 -5.759 1.00 0.00 C ATOM 2205 O TYR A 143 10.220 -8.184 -6.757 1.00 0.00 O ATOM 2206 CB TYR A 143 8.975 -6.704 -4.442 1.00 0.00 C ATOM 2207 CG TYR A 143 9.111 -7.670 -3.281 1.00 0.00 C ATOM 2208 CD1 TYR A 143 9.864 -7.297 -2.152 1.00 0.00 C ATOM 2209 CD2 TYR A 143 8.470 -8.923 -3.311 1.00 0.00 C ATOM 2210 CE1 TYR A 143 9.976 -8.170 -1.057 1.00 0.00 C ATOM 2211 CE2 TYR A 143 8.575 -9.800 -2.217 1.00 0.00 C ATOM 2212 CZ TYR A 143 9.330 -9.426 -1.081 1.00 0.00 C ATOM 2213 OH TYR A 143 9.412 -10.253 -0.003 1.00 0.00 O ATOM 0 H TYR A 143 9.312 -5.023 -6.287 1.00 0.00 H new ATOM 0 HA TYR A 143 11.024 -6.107 -4.363 1.00 0.00 H new ATOM 0 HB2 TYR A 143 8.560 -5.762 -4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 143 8.271 -7.107 -5.170 1.00 0.00 H new ATOM 0 HD1 TYR A 143 10.357 -6.337 -2.127 1.00 0.00 H new ATOM 0 HD2 TYR A 143 7.895 -9.212 -4.178 1.00 0.00 H new ATOM 0 HE1 TYR A 143 10.558 -7.880 -0.194 1.00 0.00 H new ATOM 0 HE2 TYR A 143 8.079 -10.759 -2.244 1.00 0.00 H new ATOM 0 HH TYR A 143 8.911 -11.076 -0.183 1.00 0.00 H new ATOM 2223 N ASN A 144 11.786 -8.353 -5.120 1.00 0.00 N ATOM 2224 CA ASN A 144 12.575 -9.425 -5.702 1.00 0.00 C ATOM 2225 C ASN A 144 12.515 -10.671 -4.825 1.00 0.00 C ATOM 2226 O ASN A 144 13.414 -10.910 -4.013 1.00 0.00 O ATOM 2227 CB ASN A 144 13.995 -8.894 -5.932 1.00 0.00 C ATOM 2228 CG ASN A 144 14.115 -8.126 -7.249 1.00 0.00 C ATOM 2229 OD1 ASN A 144 13.202 -8.119 -8.072 1.00 0.00 O ATOM 2230 ND2 ASN A 144 15.264 -7.531 -7.503 1.00 0.00 N ATOM 0 H ASN A 144 12.064 -8.116 -4.168 1.00 0.00 H new ATOM 0 HA ASN A 144 12.174 -9.737 -6.666 1.00 0.00 H new ATOM 0 HB2 ASN A 144 14.276 -8.242 -5.105 1.00 0.00 H new ATOM 0 HB3 ASN A 144 14.698 -9.727 -5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 144 15.406 -7.055 -8.394 1.00 0.00 H new ATOM 0 HD22 ASN A 144 16.011 -7.547 -6.809 1.00 0.00 H new