USER MOD reduce.3.24.130724 H: found=0, std=0, add=1095, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 857 hydrogens (66 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 102 THR OG1 : rot 120:sc= -0.618 USER MOD Set 1.2: A 111 ASN : amide:sc= -4.35! C(o=-5!,f=-8.2!) USER MOD Set 1.3: A 113 MET CE :methyl -154:sc= 0 (180deg=0) USER MOD Set 2.1: A 89 ASN : amide:sc= -0.872 K(o=-3.6,f=-5.4!) USER MOD Set 2.2: A 105 ASN :FLIP amide:sc= -2.68! C(o=-6.7!,f=-3.6!) USER MOD Set 3.1: A 73 THR OG1 : rot -86:sc= 0.926 USER MOD Set 3.2: A 75 THR OG1 : rot -45:sc= -0.0181 USER MOD Set 4.1: A 22 MET CE :methyl -167:sc= 0 (180deg=0) USER MOD Set 4.2: A 74 MET CE :methyl -177:sc= -0.151 (180deg=-0.165) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.137 (180deg=-0.35) USER MOD Single : A 2 ASN : amide:sc= -0.692 X(o=-0.69,f=-0.97) USER MOD Single : A 4 SER OG : rot 47:sc= 0.726 USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.0697 (180deg=-0.412) USER MOD Single : A 7 TYR OH : rot 140:sc= 0.193 USER MOD Single : A 8 GLN :FLIP amide:sc= -1.09 F(o=-8.8!,f=-1.1) USER MOD Single : A 10 GLN : amide:sc=-0.00555 X(o=-0.0055,f=-0.39) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -7.66! C(o=-8.3!,f=-7.7!) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= 0.0102 (180deg=-0.128) USER MOD Single : A 30 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.09) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= -0.0888 (180deg=-0.463) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc=-0.00308 (180deg=-0.11) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS :FLIP no HE2:sc= -0.662 F(o=-1.4,f=-0.66) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0125) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 165:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= -2.26 (180deg=-2.36) USER MOD Single : A 60 HIS : no HD1:sc= -0.0679 X(o=-0.068,f=-0.26) USER MOD Single : A 61 ASN : amide:sc= -3.99! C(o=-4!,f=-4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot -16:sc= -2.68! USER MOD Single : A 78 LYS NZ :NH3+ 165:sc= -0.0584 (180deg=-0.324) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -153:sc= -0.0323 (180deg=-0.509) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -164:sc= -0.0523 (180deg=-0.302) USER MOD Single : A 91 MET CE :methyl -178:sc= -0.41 (180deg=-0.436) USER MOD Single : A 93 THR OG1 : rot 59:sc= 0.119 USER MOD Single : A 94 THR OG1 : rot 24:sc= 0.162 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -118:sc= -1.76! USER MOD Single : A 108 THR OG1 : rot 37:sc= 0.123 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 74:sc= 0.106 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -38:sc= 0.692 USER MOD Single : A 125 LYS NZ :NH3+ -168:sc= 0.0537 (180deg=0.00159) USER MOD Single : A 128 OLA O2 : rot 30:sc= 0 USER MOD Single : A 129 OLA O2 : rot 110:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.269 11.590 -1.548 1.00 4.30 N ATOM 2 CA MET A 1 17.346 12.181 -2.551 1.00 3.84 C ATOM 3 C MET A 1 16.480 11.103 -3.195 1.00 2.89 C ATOM 4 O MET A 1 15.827 11.344 -4.210 1.00 2.87 O ATOM 5 CB MET A 1 18.136 12.927 -3.629 1.00 4.46 C ATOM 6 CG MET A 1 19.131 12.056 -4.382 1.00 5.10 C ATOM 7 SD MET A 1 20.611 11.692 -3.419 1.00 6.04 S ATOM 8 CE MET A 1 21.556 10.738 -4.604 1.00 6.91 C ATOM 0 H1 MET A 1 18.725 12.351 -1.005 1.00 4.30 H new ATOM 0 H2 MET A 1 17.733 10.977 -0.902 1.00 4.30 H new ATOM 0 H3 MET A 1 18.997 11.028 -2.034 1.00 4.30 H new ATOM 0 HA MET A 1 16.695 12.886 -2.035 1.00 3.84 H new ATOM 0 HB2 MET A 1 17.436 13.361 -4.343 1.00 4.46 H new ATOM 0 HB3 MET A 1 18.672 13.755 -3.165 1.00 4.46 H new ATOM 0 HG2 MET A 1 18.647 11.121 -4.664 1.00 5.10 H new ATOM 0 HG3 MET A 1 19.419 12.557 -5.306 1.00 5.10 H new ATOM 0 HE1 MET A 1 22.503 10.437 -4.156 1.00 6.91 H new ATOM 0 HE2 MET A 1 20.992 9.850 -4.889 1.00 6.91 H new ATOM 0 HE3 MET A 1 21.749 11.345 -5.489 1.00 6.91 H new ATOM 20 N ASN A 2 16.477 9.916 -2.596 1.00 2.46 N ATOM 21 CA ASN A 2 15.690 8.801 -3.112 1.00 1.86 C ATOM 22 C ASN A 2 14.239 8.899 -2.651 1.00 1.11 C ATOM 23 O ASN A 2 13.948 8.815 -1.458 1.00 1.62 O ATOM 24 CB ASN A 2 16.297 7.470 -2.661 1.00 2.52 C ATOM 25 CG ASN A 2 16.488 7.395 -1.158 1.00 2.76 C ATOM 26 OD1 ASN A 2 17.510 7.829 -0.628 1.00 3.46 O ATOM 27 ND2 ASN A 2 15.503 6.839 -0.464 1.00 2.73 N ATOM 0 H ASN A 2 17.010 9.702 -1.753 1.00 2.46 H new ATOM 0 HA ASN A 2 15.707 8.848 -4.201 1.00 1.86 H new ATOM 0 HB2 ASN A 2 15.651 6.653 -2.983 1.00 2.52 H new ATOM 0 HB3 ASN A 2 17.259 7.328 -3.153 1.00 2.52 H new ATOM 0 HD21 ASN A 2 15.576 6.758 0.550 1.00 2.73 H new ATOM 0 HD22 ASN A 2 14.673 6.492 -0.945 1.00 2.73 H new ATOM 32 N PHE A 3 13.329 9.083 -3.606 1.00 0.84 N ATOM 33 CA PHE A 3 11.907 9.194 -3.298 1.00 1.21 C ATOM 34 C PHE A 3 11.062 8.533 -4.382 1.00 1.09 C ATOM 35 O PHE A 3 10.082 7.848 -4.085 1.00 1.86 O ATOM 36 CB PHE A 3 11.504 10.663 -3.150 1.00 2.02 C ATOM 37 CG PHE A 3 12.164 11.357 -1.991 1.00 2.36 C ATOM 38 CD1 PHE A 3 11.624 11.273 -0.719 1.00 2.57 C ATOM 39 CD2 PHE A 3 13.324 12.092 -2.176 1.00 2.79 C ATOM 40 CE1 PHE A 3 12.229 11.909 0.350 1.00 3.08 C ATOM 41 CE2 PHE A 3 13.933 12.732 -1.113 1.00 3.29 C ATOM 42 CZ PHE A 3 13.386 12.640 0.151 1.00 3.40 C ATOM 0 H PHE A 3 13.552 9.158 -4.598 1.00 0.84 H new ATOM 0 HA PHE A 3 11.727 8.679 -2.354 1.00 1.21 H new ATOM 0 HB2 PHE A 3 11.753 11.193 -4.069 1.00 2.02 H new ATOM 0 HB3 PHE A 3 10.422 10.724 -3.030 1.00 2.02 H new ATOM 0 HD1 PHE A 3 10.720 10.704 -0.560 1.00 2.57 H new ATOM 0 HD2 PHE A 3 13.757 12.166 -3.162 1.00 2.79 H new ATOM 0 HE1 PHE A 3 11.799 11.835 1.338 1.00 3.08 H new ATOM 0 HE2 PHE A 3 14.836 13.303 -1.271 1.00 3.29 H new ATOM 0 HZ PHE A 3 13.861 13.138 0.983 1.00 3.40 H new ATOM 52 N SER A 4 11.446 8.740 -5.638 1.00 0.64 N ATOM 53 CA SER A 4 10.720 8.165 -6.764 1.00 0.56 C ATOM 54 C SER A 4 11.443 6.941 -7.317 1.00 0.52 C ATOM 55 O SER A 4 12.664 6.951 -7.480 1.00 0.75 O ATOM 56 CB SER A 4 10.536 9.207 -7.868 1.00 0.69 C ATOM 57 OG SER A 4 9.829 8.664 -8.969 1.00 1.53 O ATOM 0 H SER A 4 12.256 9.302 -5.901 1.00 0.64 H new ATOM 0 HA SER A 4 9.740 7.850 -6.405 1.00 0.56 H new ATOM 0 HB2 SER A 4 9.996 10.068 -7.474 1.00 0.69 H new ATOM 0 HB3 SER A 4 11.510 9.567 -8.199 1.00 0.69 H new ATOM 0 HG SER A 4 9.047 8.171 -8.644 1.00 1.53 H new ATOM 63 N GLY A 5 10.680 5.892 -7.605 1.00 0.43 N ATOM 64 CA GLY A 5 11.258 4.674 -8.138 1.00 0.45 C ATOM 65 C GLY A 5 10.225 3.577 -8.314 1.00 0.40 C ATOM 66 O GLY A 5 9.229 3.536 -7.592 1.00 0.54 O ATOM 0 H GLY A 5 9.668 5.865 -7.478 1.00 0.43 H new ATOM 0 HA2 GLY A 5 11.726 4.887 -9.099 1.00 0.45 H new ATOM 0 HA3 GLY A 5 12.045 4.325 -7.470 1.00 0.45 H new ATOM 70 N LYS A 6 10.461 2.688 -9.273 1.00 0.36 N ATOM 71 CA LYS A 6 9.536 1.591 -9.537 1.00 0.35 C ATOM 72 C LYS A 6 9.956 0.328 -8.792 1.00 0.30 C ATOM 73 O LYS A 6 11.045 -0.202 -9.013 1.00 0.36 O ATOM 74 CB LYS A 6 9.457 1.310 -11.039 1.00 0.47 C ATOM 75 CG LYS A 6 8.420 0.261 -11.406 1.00 1.02 C ATOM 76 CD LYS A 6 8.344 0.055 -12.910 1.00 1.43 C ATOM 77 CE LYS A 6 7.243 -0.923 -13.283 1.00 1.75 C ATOM 78 NZ LYS A 6 5.903 -0.453 -12.833 1.00 2.38 N ATOM 0 H LYS A 6 11.282 2.705 -9.879 1.00 0.36 H new ATOM 0 HA LYS A 6 8.551 1.889 -9.178 1.00 0.35 H new ATOM 0 HB2 LYS A 6 9.225 2.238 -11.562 1.00 0.47 H new ATOM 0 HB3 LYS A 6 10.435 0.981 -11.391 1.00 0.47 H new ATOM 0 HG2 LYS A 6 8.668 -0.683 -10.921 1.00 1.02 H new ATOM 0 HG3 LYS A 6 7.444 0.566 -11.030 1.00 1.02 H new ATOM 0 HD2 LYS A 6 8.164 1.012 -13.401 1.00 1.43 H new ATOM 0 HD3 LYS A 6 9.301 -0.316 -13.276 1.00 1.43 H new ATOM 0 HE2 LYS A 6 7.234 -1.063 -14.364 1.00 1.75 H new ATOM 0 HE3 LYS A 6 7.455 -1.895 -12.837 1.00 1.75 H new ATOM 0 HZ1 LYS A 6 5.163 -0.990 -13.328 1.00 2.38 H new ATOM 0 HZ2 LYS A 6 5.810 -0.600 -11.808 1.00 2.38 H new ATOM 0 HZ3 LYS A 6 5.800 0.559 -13.049 1.00 2.38 H new ATOM 92 N TYR A 7 9.083 -0.142 -7.908 1.00 0.30 N ATOM 93 CA TYR A 7 9.345 -1.340 -7.126 1.00 0.29 C ATOM 94 C TYR A 7 8.321 -2.423 -7.459 1.00 0.30 C ATOM 95 O TYR A 7 7.165 -2.122 -7.757 1.00 0.42 O ATOM 96 CB TYR A 7 9.312 -0.993 -5.640 1.00 0.34 C ATOM 97 CG TYR A 7 10.386 -0.005 -5.241 1.00 0.49 C ATOM 98 CD1 TYR A 7 10.270 1.345 -5.553 1.00 0.77 C ATOM 99 CD2 TYR A 7 11.514 -0.419 -4.541 1.00 0.70 C ATOM 100 CE1 TYR A 7 11.245 2.250 -5.179 1.00 0.93 C ATOM 101 CE2 TYR A 7 12.494 0.480 -4.165 1.00 0.89 C ATOM 102 CZ TYR A 7 12.371 1.812 -4.529 1.00 0.91 C ATOM 103 OH TYR A 7 13.325 2.713 -4.111 1.00 1.13 O ATOM 0 H TYR A 7 8.181 0.294 -7.716 1.00 0.30 H new ATOM 0 HA TYR A 7 10.333 -1.727 -7.373 1.00 0.29 H new ATOM 0 HB2 TYR A 7 8.335 -0.580 -5.390 1.00 0.34 H new ATOM 0 HB3 TYR A 7 9.431 -1.906 -5.056 1.00 0.34 H new ATOM 0 HD1 TYR A 7 9.404 1.692 -6.097 1.00 0.77 H new ATOM 0 HD2 TYR A 7 11.626 -1.463 -4.286 1.00 0.70 H new ATOM 0 HE1 TYR A 7 11.121 3.300 -5.398 1.00 0.93 H new ATOM 0 HE2 TYR A 7 13.348 0.148 -3.593 1.00 0.89 H new ATOM 0 HH TYR A 7 13.662 2.447 -3.230 1.00 1.13 H new ATOM 113 N GLN A 8 8.749 -3.683 -7.410 1.00 0.31 N ATOM 114 CA GLN A 8 7.866 -4.798 -7.737 1.00 0.35 C ATOM 115 C GLN A 8 7.751 -5.788 -6.584 1.00 0.35 C ATOM 116 O GLN A 8 8.756 -6.261 -6.056 1.00 0.38 O ATOM 117 CB GLN A 8 8.382 -5.522 -8.982 1.00 0.44 C ATOM 118 CG GLN A 8 7.526 -6.705 -9.412 1.00 0.41 C ATOM 119 CD GLN A 8 6.321 -6.298 -10.241 1.00 0.92 C ATOM 120 OE1 GLN A 8 5.823 -5.086 -10.022 1.00 1.39 O flip ATOM 121 NE2 GLN A 8 5.842 -7.068 -11.074 1.00 1.23 N flip ATOM 0 H GLN A 8 9.697 -3.955 -7.148 1.00 0.31 H new ATOM 0 HA GLN A 8 6.874 -4.388 -7.928 1.00 0.35 H new ATOM 0 HB2 GLN A 8 8.439 -4.810 -9.806 1.00 0.44 H new ATOM 0 HB3 GLN A 8 9.397 -5.872 -8.792 1.00 0.44 H new ATOM 0 HG2 GLN A 8 8.138 -7.399 -9.988 1.00 0.41 H new ATOM 0 HG3 GLN A 8 7.186 -7.241 -8.526 1.00 0.41 H new ATOM 0 HE21 GLN A 8 6.254 -7.991 -11.212 1.00 1.23 H new ATOM 0 HE22 GLN A 8 5.033 -6.783 -11.626 1.00 1.23 H new ATOM 128 N VAL A 9 6.515 -6.102 -6.208 1.00 0.40 N ATOM 129 CA VAL A 9 6.262 -7.051 -5.132 1.00 0.45 C ATOM 130 C VAL A 9 6.621 -8.462 -5.586 1.00 0.52 C ATOM 131 O VAL A 9 6.167 -8.917 -6.636 1.00 0.67 O ATOM 132 CB VAL A 9 4.787 -7.019 -4.691 1.00 0.56 C ATOM 133 CG1 VAL A 9 4.554 -7.958 -3.516 1.00 1.18 C ATOM 134 CG2 VAL A 9 4.369 -5.600 -4.337 1.00 1.24 C ATOM 0 H VAL A 9 5.674 -5.712 -6.633 1.00 0.40 H new ATOM 0 HA VAL A 9 6.883 -6.765 -4.283 1.00 0.45 H new ATOM 0 HB VAL A 9 4.173 -7.361 -5.524 1.00 0.56 H new ATOM 0 HG11 VAL A 9 3.505 -7.919 -3.221 1.00 1.18 H new ATOM 0 HG12 VAL A 9 4.811 -8.976 -3.807 1.00 1.18 H new ATOM 0 HG13 VAL A 9 5.178 -7.652 -2.676 1.00 1.18 H new ATOM 0 HG21 VAL A 9 3.324 -5.595 -4.027 1.00 1.24 H new ATOM 0 HG22 VAL A 9 4.991 -5.230 -3.522 1.00 1.24 H new ATOM 0 HG23 VAL A 9 4.492 -4.956 -5.208 1.00 1.24 H new ATOM 138 N GLN A 10 7.439 -9.149 -4.797 1.00 0.50 N ATOM 139 CA GLN A 10 7.867 -10.497 -5.140 1.00 0.61 C ATOM 140 C GLN A 10 7.149 -11.558 -4.308 1.00 0.72 C ATOM 141 O GLN A 10 6.934 -12.675 -4.778 1.00 1.01 O ATOM 142 CB GLN A 10 9.380 -10.621 -4.962 1.00 0.71 C ATOM 143 CG GLN A 10 10.176 -9.787 -5.954 1.00 0.90 C ATOM 144 CD GLN A 10 11.666 -10.068 -5.892 1.00 1.52 C ATOM 145 OE1 GLN A 10 12.198 -10.423 -4.841 1.00 2.20 O ATOM 146 NE2 GLN A 10 12.346 -9.909 -7.022 1.00 2.11 N ATOM 0 H GLN A 10 7.817 -8.795 -3.918 1.00 0.50 H new ATOM 0 HA GLN A 10 7.604 -10.672 -6.183 1.00 0.61 H new ATOM 0 HB2 GLN A 10 9.645 -10.318 -3.949 1.00 0.71 H new ATOM 0 HB3 GLN A 10 9.666 -11.668 -5.067 1.00 0.71 H new ATOM 0 HG2 GLN A 10 9.814 -9.986 -6.963 1.00 0.90 H new ATOM 0 HG3 GLN A 10 10.001 -8.729 -5.756 1.00 0.90 H new ATOM 0 HE21 GLN A 10 11.863 -9.613 -7.870 1.00 2.11 H new ATOM 0 HE22 GLN A 10 13.351 -10.083 -7.041 1.00 2.11 H new ATOM 153 N SER A 11 6.776 -11.213 -3.076 1.00 0.56 N ATOM 154 CA SER A 11 6.083 -12.165 -2.209 1.00 0.70 C ATOM 155 C SER A 11 5.460 -11.483 -0.995 1.00 0.54 C ATOM 156 O SER A 11 5.795 -10.346 -0.660 1.00 0.54 O ATOM 157 CB SER A 11 7.047 -13.257 -1.743 1.00 0.97 C ATOM 158 OG SER A 11 8.125 -12.710 -1.004 1.00 1.72 O ATOM 0 H SER A 11 6.939 -10.296 -2.661 1.00 0.56 H new ATOM 0 HA SER A 11 5.279 -12.609 -2.796 1.00 0.70 H new ATOM 0 HB2 SER A 11 6.511 -13.980 -1.128 1.00 0.97 H new ATOM 0 HB3 SER A 11 7.433 -13.798 -2.607 1.00 0.97 H new ATOM 0 HG SER A 11 8.724 -13.431 -0.717 1.00 1.72 H new ATOM 164 N GLN A 12 4.547 -12.199 -0.342 1.00 0.56 N ATOM 165 CA GLN A 12 3.858 -11.696 0.843 1.00 0.50 C ATOM 166 C GLN A 12 3.584 -12.838 1.819 1.00 0.46 C ATOM 167 O GLN A 12 3.361 -13.977 1.407 1.00 0.59 O ATOM 168 CB GLN A 12 2.543 -11.017 0.442 1.00 0.70 C ATOM 169 CG GLN A 12 1.577 -10.800 1.602 1.00 0.85 C ATOM 170 CD GLN A 12 2.047 -9.731 2.566 1.00 0.99 C ATOM 171 OE1 GLN A 12 1.767 -9.931 3.852 1.00 2.01 O flip ATOM 172 NE2 GLN A 12 2.653 -8.741 2.164 1.00 0.82 N flip ATOM 0 H GLN A 12 4.265 -13.140 -0.618 1.00 0.56 H new ATOM 0 HA GLN A 12 4.497 -10.962 1.334 1.00 0.50 H new ATOM 0 HB2 GLN A 12 2.768 -10.053 -0.015 1.00 0.70 H new ATOM 0 HB3 GLN A 12 2.051 -11.623 -0.319 1.00 0.70 H new ATOM 0 HG2 GLN A 12 0.600 -10.522 1.208 1.00 0.85 H new ATOM 0 HG3 GLN A 12 1.448 -11.738 2.142 1.00 0.85 H new ATOM 0 HE21 GLN A 12 2.845 -8.630 1.168 1.00 0.82 H new ATOM 0 HE22 GLN A 12 2.964 -8.030 2.826 1.00 0.82 H new ATOM 179 N GLU A 13 3.600 -12.531 3.113 1.00 0.47 N ATOM 180 CA GLU A 13 3.345 -13.537 4.139 1.00 0.52 C ATOM 181 C GLU A 13 1.893 -13.483 4.599 1.00 0.45 C ATOM 182 O GLU A 13 1.395 -12.421 4.972 1.00 0.47 O ATOM 183 CB GLU A 13 4.279 -13.330 5.333 1.00 0.71 C ATOM 184 CG GLU A 13 5.754 -13.398 4.974 1.00 1.16 C ATOM 185 CD GLU A 13 6.160 -14.753 4.427 1.00 1.72 C ATOM 186 OE1 GLU A 13 6.041 -14.957 3.200 1.00 2.39 O ATOM 187 OE2 GLU A 13 6.594 -15.610 5.226 1.00 2.07 O ATOM 0 H GLU A 13 3.786 -11.596 3.475 1.00 0.47 H new ATOM 0 HA GLU A 13 3.536 -14.519 3.706 1.00 0.52 H new ATOM 0 HB2 GLU A 13 4.068 -12.360 5.784 1.00 0.71 H new ATOM 0 HB3 GLU A 13 4.063 -14.086 6.088 1.00 0.71 H new ATOM 0 HG2 GLU A 13 5.980 -12.630 4.235 1.00 1.16 H new ATOM 0 HG3 GLU A 13 6.350 -13.174 5.859 1.00 1.16 H new ATOM 194 N ASN A 14 1.220 -14.632 4.567 1.00 0.47 N ATOM 195 CA ASN A 14 -0.181 -14.724 4.979 1.00 0.52 C ATOM 196 C ASN A 14 -1.089 -13.973 4.005 1.00 0.56 C ATOM 197 O ASN A 14 -0.706 -12.944 3.450 1.00 0.92 O ATOM 198 CB ASN A 14 -0.364 -14.173 6.397 1.00 0.62 C ATOM 199 CG ASN A 14 0.452 -14.935 7.425 1.00 1.26 C ATOM 200 OD1 ASN A 14 0.718 -16.126 7.262 1.00 1.88 O ATOM 201 ND2 ASN A 14 0.850 -14.251 8.491 1.00 1.78 N ATOM 0 H ASN A 14 1.624 -15.516 4.259 1.00 0.47 H new ATOM 0 HA ASN A 14 -0.462 -15.777 4.971 1.00 0.52 H new ATOM 0 HB2 ASN A 14 -0.076 -13.122 6.415 1.00 0.62 H new ATOM 0 HB3 ASN A 14 -1.419 -14.219 6.668 1.00 0.62 H new ATOM 0 HD21 ASN A 14 1.400 -14.712 9.216 1.00 1.78 H new ATOM 0 HD22 ASN A 14 0.606 -13.265 8.584 1.00 1.78 H new ATOM 206 N PHE A 15 -2.293 -14.499 3.800 1.00 0.52 N ATOM 207 CA PHE A 15 -3.256 -13.883 2.892 1.00 0.59 C ATOM 208 C PHE A 15 -4.687 -14.088 3.378 1.00 0.59 C ATOM 209 O PHE A 15 -5.429 -13.131 3.586 1.00 0.66 O ATOM 210 CB PHE A 15 -3.116 -14.471 1.487 1.00 0.73 C ATOM 211 CG PHE A 15 -2.119 -13.759 0.621 1.00 1.40 C ATOM 212 CD1 PHE A 15 -2.431 -12.542 0.039 1.00 1.85 C ATOM 213 CD2 PHE A 15 -0.864 -14.302 0.397 1.00 2.40 C ATOM 214 CE1 PHE A 15 -1.510 -11.879 -0.752 1.00 2.66 C ATOM 215 CE2 PHE A 15 0.061 -13.646 -0.392 1.00 3.26 C ATOM 216 CZ PHE A 15 -0.278 -12.447 -0.996 1.00 3.24 C ATOM 0 H PHE A 15 -2.626 -15.351 4.251 1.00 0.52 H new ATOM 0 HA PHE A 15 -3.043 -12.814 2.867 1.00 0.59 H new ATOM 0 HB2 PHE A 15 -2.826 -15.518 1.570 1.00 0.73 H new ATOM 0 HB3 PHE A 15 -4.089 -14.448 0.997 1.00 0.73 H new ATOM 0 HD1 PHE A 15 -3.405 -12.105 0.205 1.00 1.85 H new ATOM 0 HD2 PHE A 15 -0.606 -15.250 0.845 1.00 2.40 H new ATOM 0 HE1 PHE A 15 -1.756 -10.917 -1.178 1.00 2.66 H new ATOM 0 HE2 PHE A 15 1.045 -14.067 -0.537 1.00 3.26 H new ATOM 0 HZ PHE A 15 0.422 -11.958 -1.657 1.00 3.24 H new ATOM 226 N GLU A 16 -5.063 -15.350 3.555 1.00 0.65 N ATOM 227 CA GLU A 16 -6.408 -15.705 3.996 1.00 0.72 C ATOM 228 C GLU A 16 -6.813 -14.997 5.296 1.00 0.62 C ATOM 229 O GLU A 16 -7.885 -14.401 5.356 1.00 0.68 O ATOM 230 CB GLU A 16 -6.523 -17.222 4.168 1.00 0.86 C ATOM 231 CG GLU A 16 -6.291 -17.997 2.880 1.00 1.03 C ATOM 232 CD GLU A 16 -6.358 -19.498 3.082 1.00 1.53 C ATOM 233 OE1 GLU A 16 -7.478 -20.050 3.069 1.00 1.92 O ATOM 234 OE2 GLU A 16 -5.290 -20.124 3.252 1.00 1.96 O ATOM 0 H GLU A 16 -4.450 -16.150 3.398 1.00 0.65 H new ATOM 0 HA GLU A 16 -7.096 -15.367 3.221 1.00 0.72 H new ATOM 0 HB2 GLU A 16 -5.801 -17.551 4.916 1.00 0.86 H new ATOM 0 HB3 GLU A 16 -7.514 -17.462 4.554 1.00 0.86 H new ATOM 0 HG2 GLU A 16 -7.036 -17.700 2.142 1.00 1.03 H new ATOM 0 HG3 GLU A 16 -5.316 -17.732 2.472 1.00 1.03 H new ATOM 241 N PRO A 17 -5.974 -15.035 6.356 1.00 0.54 N ATOM 242 CA PRO A 17 -6.322 -14.401 7.639 1.00 0.52 C ATOM 243 C PRO A 17 -6.369 -12.875 7.575 1.00 0.45 C ATOM 244 O PRO A 17 -7.280 -12.256 8.124 1.00 0.50 O ATOM 245 CB PRO A 17 -5.198 -14.858 8.574 1.00 0.59 C ATOM 246 CG PRO A 17 -4.049 -15.147 7.673 1.00 0.72 C ATOM 247 CD PRO A 17 -4.648 -15.681 6.401 1.00 0.59 C ATOM 0 HA PRO A 17 -7.323 -14.688 7.961 1.00 0.52 H new ATOM 0 HB2 PRO A 17 -4.947 -14.084 9.299 1.00 0.59 H new ATOM 0 HB3 PRO A 17 -5.489 -15.743 9.140 1.00 0.59 H new ATOM 0 HG2 PRO A 17 -3.466 -14.246 7.482 1.00 0.72 H new ATOM 0 HG3 PRO A 17 -3.373 -15.875 8.122 1.00 0.72 H new ATOM 0 HD2 PRO A 17 -4.044 -15.422 5.532 1.00 0.59 H new ATOM 0 HD3 PRO A 17 -4.730 -16.768 6.420 1.00 0.59 H new ATOM 255 N PHE A 18 -5.397 -12.269 6.897 1.00 0.44 N ATOM 256 CA PHE A 18 -5.345 -10.814 6.774 1.00 0.54 C ATOM 257 C PHE A 18 -6.545 -10.284 5.999 1.00 0.62 C ATOM 258 O PHE A 18 -7.242 -9.377 6.455 1.00 0.68 O ATOM 259 CB PHE A 18 -4.047 -10.378 6.086 1.00 0.65 C ATOM 260 CG PHE A 18 -3.918 -8.887 5.942 1.00 0.90 C ATOM 261 CD1 PHE A 18 -3.409 -8.121 6.978 1.00 1.08 C ATOM 262 CD2 PHE A 18 -4.303 -8.253 4.771 1.00 1.08 C ATOM 263 CE1 PHE A 18 -3.290 -6.749 6.850 1.00 1.36 C ATOM 264 CE2 PHE A 18 -4.185 -6.883 4.637 1.00 1.35 C ATOM 265 CZ PHE A 18 -3.678 -6.129 5.677 1.00 1.46 C ATOM 0 H PHE A 18 -4.637 -12.761 6.426 1.00 0.44 H new ATOM 0 HA PHE A 18 -5.372 -10.395 7.780 1.00 0.54 H new ATOM 0 HB2 PHE A 18 -3.198 -10.755 6.656 1.00 0.65 H new ATOM 0 HB3 PHE A 18 -3.996 -10.836 5.098 1.00 0.65 H new ATOM 0 HD1 PHE A 18 -3.102 -8.600 7.896 1.00 1.08 H new ATOM 0 HD2 PHE A 18 -4.700 -8.837 3.954 1.00 1.08 H new ATOM 0 HE1 PHE A 18 -2.894 -6.162 7.666 1.00 1.36 H new ATOM 0 HE2 PHE A 18 -4.489 -6.402 3.719 1.00 1.35 H new ATOM 0 HZ PHE A 18 -3.585 -5.058 5.574 1.00 1.46 H new ATOM 275 N MET A 19 -6.775 -10.855 4.825 1.00 0.68 N ATOM 276 CA MET A 19 -7.882 -10.441 3.972 1.00 0.83 C ATOM 277 C MET A 19 -9.233 -10.707 4.633 1.00 0.81 C ATOM 278 O MET A 19 -10.129 -9.869 4.578 1.00 0.90 O ATOM 279 CB MET A 19 -7.801 -11.166 2.636 1.00 0.96 C ATOM 280 CG MET A 19 -6.538 -10.849 1.850 1.00 1.91 C ATOM 281 SD MET A 19 -6.394 -9.098 1.446 1.00 3.37 S ATOM 282 CE MET A 19 -4.824 -9.074 0.587 1.00 4.48 C ATOM 0 H MET A 19 -6.207 -11.610 4.440 1.00 0.68 H new ATOM 0 HA MET A 19 -7.799 -9.366 3.811 1.00 0.83 H new ATOM 0 HB2 MET A 19 -7.850 -12.241 2.811 1.00 0.96 H new ATOM 0 HB3 MET A 19 -8.670 -10.901 2.034 1.00 0.96 H new ATOM 0 HG2 MET A 19 -5.667 -11.157 2.429 1.00 1.91 H new ATOM 0 HG3 MET A 19 -6.532 -11.432 0.929 1.00 1.91 H new ATOM 0 HE1 MET A 19 -4.596 -8.055 0.274 1.00 4.48 H new ATOM 0 HE2 MET A 19 -4.039 -9.433 1.253 1.00 4.48 H new ATOM 0 HE3 MET A 19 -4.879 -9.720 -0.290 1.00 4.48 H new ATOM 292 N LYS A 20 -9.377 -11.876 5.253 1.00 0.73 N ATOM 293 CA LYS A 20 -10.627 -12.229 5.921 1.00 0.79 C ATOM 294 C LYS A 20 -10.960 -11.216 7.011 1.00 0.72 C ATOM 295 O LYS A 20 -12.113 -10.816 7.167 1.00 0.79 O ATOM 296 CB LYS A 20 -10.546 -13.633 6.518 1.00 0.85 C ATOM 297 CG LYS A 20 -10.808 -14.735 5.507 1.00 1.02 C ATOM 298 CD LYS A 20 -10.688 -16.113 6.141 1.00 1.37 C ATOM 299 CE LYS A 20 -11.012 -17.212 5.144 1.00 1.63 C ATOM 300 NZ LYS A 20 -12.409 -17.112 4.641 1.00 2.27 N ATOM 0 H LYS A 20 -8.650 -12.590 5.307 1.00 0.73 H new ATOM 0 HA LYS A 20 -11.422 -12.214 5.175 1.00 0.79 H new ATOM 0 HB2 LYS A 20 -9.558 -13.778 6.954 1.00 0.85 H new ATOM 0 HB3 LYS A 20 -11.268 -13.716 7.330 1.00 0.85 H new ATOM 0 HG2 LYS A 20 -11.805 -14.613 5.085 1.00 1.02 H new ATOM 0 HG3 LYS A 20 -10.100 -14.650 4.683 1.00 1.02 H new ATOM 0 HD2 LYS A 20 -9.677 -16.253 6.523 1.00 1.37 H new ATOM 0 HD3 LYS A 20 -11.363 -16.183 6.994 1.00 1.37 H new ATOM 0 HE2 LYS A 20 -10.319 -17.156 4.304 1.00 1.63 H new ATOM 0 HE3 LYS A 20 -10.865 -18.184 5.615 1.00 1.63 H new ATOM 0 HZ1 LYS A 20 -12.651 -17.975 4.114 1.00 2.27 H new ATOM 0 HZ2 LYS A 20 -13.060 -17.003 5.444 1.00 2.27 H new ATOM 0 HZ3 LYS A 20 -12.494 -16.287 4.013 1.00 2.27 H new ATOM 314 N ALA A 21 -9.943 -10.806 7.761 1.00 0.64 N ATOM 315 CA ALA A 21 -10.127 -9.832 8.828 1.00 0.64 C ATOM 316 C ALA A 21 -10.520 -8.478 8.247 1.00 0.65 C ATOM 317 O ALA A 21 -11.107 -7.641 8.932 1.00 0.85 O ATOM 318 CB ALA A 21 -8.858 -9.707 9.658 1.00 0.67 C ATOM 0 H ALA A 21 -8.983 -11.133 7.649 1.00 0.64 H new ATOM 0 HA ALA A 21 -10.931 -10.177 9.478 1.00 0.64 H new ATOM 0 HB1 ALA A 21 -9.012 -8.975 10.451 1.00 0.67 H new ATOM 0 HB2 ALA A 21 -8.615 -10.674 10.099 1.00 0.67 H new ATOM 0 HB3 ALA A 21 -8.036 -9.382 9.020 1.00 0.67 H new ATOM 324 N MET A 22 -10.188 -8.276 6.975 1.00 0.66 N ATOM 325 CA MET A 22 -10.503 -7.032 6.285 1.00 0.72 C ATOM 326 C MET A 22 -11.877 -7.117 5.625 1.00 0.74 C ATOM 327 O MET A 22 -12.848 -6.535 6.109 1.00 0.90 O ATOM 328 CB MET A 22 -9.436 -6.729 5.228 1.00 0.75 C ATOM 329 CG MET A 22 -9.750 -5.516 4.369 1.00 0.88 C ATOM 330 SD MET A 22 -9.674 -3.970 5.293 1.00 1.45 S ATOM 331 CE MET A 22 -10.061 -2.785 4.006 1.00 2.05 C ATOM 0 H MET A 22 -9.699 -8.962 6.400 1.00 0.66 H new ATOM 0 HA MET A 22 -10.517 -6.226 7.019 1.00 0.72 H new ATOM 0 HB2 MET A 22 -8.479 -6.572 5.726 1.00 0.75 H new ATOM 0 HB3 MET A 22 -9.320 -7.600 4.582 1.00 0.75 H new ATOM 0 HG2 MET A 22 -9.046 -5.473 3.538 1.00 0.88 H new ATOM 0 HG3 MET A 22 -10.745 -5.629 3.939 1.00 0.88 H new ATOM 0 HE1 MET A 22 -9.830 -1.779 4.356 1.00 2.05 H new ATOM 0 HE2 MET A 22 -9.468 -3.005 3.118 1.00 2.05 H new ATOM 0 HE3 MET A 22 -11.121 -2.849 3.759 1.00 2.05 H new ATOM 341 N GLY A 23 -11.943 -7.848 4.516 1.00 0.79 N ATOM 342 CA GLY A 23 -13.192 -8.006 3.796 1.00 0.85 C ATOM 343 C GLY A 23 -12.975 -8.369 2.341 1.00 0.84 C ATOM 344 O GLY A 23 -13.686 -7.883 1.461 1.00 0.97 O ATOM 0 H GLY A 23 -11.148 -8.336 4.102 1.00 0.79 H new ATOM 0 HA2 GLY A 23 -13.790 -8.781 4.276 1.00 0.85 H new ATOM 0 HA3 GLY A 23 -13.763 -7.079 3.856 1.00 0.85 H new ATOM 348 N LEU A 24 -11.987 -9.224 2.088 1.00 0.77 N ATOM 349 CA LEU A 24 -11.674 -9.647 0.728 1.00 0.78 C ATOM 350 C LEU A 24 -11.922 -11.145 0.553 1.00 0.71 C ATOM 351 O LEU A 24 -11.531 -11.946 1.402 1.00 0.68 O ATOM 352 CB LEU A 24 -10.222 -9.308 0.388 1.00 0.78 C ATOM 353 CG LEU A 24 -9.898 -9.245 -1.107 1.00 0.89 C ATOM 354 CD1 LEU A 24 -10.630 -8.082 -1.762 1.00 1.45 C ATOM 355 CD2 LEU A 24 -8.399 -9.117 -1.323 1.00 1.26 C ATOM 0 H LEU A 24 -11.391 -9.636 2.806 1.00 0.77 H new ATOM 0 HA LEU A 24 -12.331 -9.110 0.044 1.00 0.78 H new ATOM 0 HB2 LEU A 24 -9.976 -8.346 0.837 1.00 0.78 H new ATOM 0 HB3 LEU A 24 -9.574 -10.051 0.852 1.00 0.78 H new ATOM 0 HG LEU A 24 -10.235 -10.172 -1.571 1.00 0.89 H new ATOM 0 HD11 LEU A 24 -10.388 -8.052 -2.824 1.00 1.45 H new ATOM 0 HD12 LEU A 24 -11.705 -8.212 -1.638 1.00 1.45 H new ATOM 0 HD13 LEU A 24 -10.321 -7.148 -1.293 1.00 1.45 H new ATOM 0 HD21 LEU A 24 -8.188 -9.074 -2.391 1.00 1.26 H new ATOM 0 HD22 LEU A 24 -8.039 -8.206 -0.845 1.00 1.26 H new ATOM 0 HD23 LEU A 24 -7.894 -9.979 -0.888 1.00 1.26 H new ATOM 361 N PRO A 25 -12.576 -11.542 -0.555 1.00 0.76 N ATOM 362 CA PRO A 25 -12.882 -12.949 -0.831 1.00 0.74 C ATOM 363 C PRO A 25 -11.657 -13.750 -1.258 1.00 0.67 C ATOM 364 O PRO A 25 -10.854 -13.295 -2.072 1.00 0.67 O ATOM 365 CB PRO A 25 -13.891 -12.869 -1.974 1.00 0.85 C ATOM 366 CG PRO A 25 -13.541 -11.610 -2.685 1.00 0.94 C ATOM 367 CD PRO A 25 -13.073 -10.653 -1.626 1.00 0.89 C ATOM 0 HA PRO A 25 -13.253 -13.463 0.056 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -13.814 -13.733 -2.634 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -14.915 -12.844 -1.600 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -12.761 -11.784 -3.426 1.00 0.94 H new ATOM 0 HG3 PRO A 25 -14.403 -11.210 -3.218 1.00 0.94 H new ATOM 0 HD2 PRO A 25 -12.288 -9.995 -1.998 1.00 0.89 H new ATOM 0 HD3 PRO A 25 -13.884 -10.015 -1.274 1.00 0.89 H new ATOM 375 N GLU A 26 -11.528 -14.943 -0.691 1.00 0.64 N ATOM 376 CA GLU A 26 -10.415 -15.838 -0.999 1.00 0.60 C ATOM 377 C GLU A 26 -10.260 -16.054 -2.502 1.00 0.60 C ATOM 378 O GLU A 26 -9.146 -16.214 -2.996 1.00 0.59 O ATOM 379 CB GLU A 26 -10.616 -17.179 -0.308 1.00 0.64 C ATOM 380 CG GLU A 26 -10.652 -17.090 1.208 1.00 1.42 C ATOM 381 CD GLU A 26 -10.888 -18.436 1.864 1.00 1.61 C ATOM 382 OE1 GLU A 26 -12.064 -18.798 2.068 1.00 1.74 O ATOM 383 OE2 GLU A 26 -9.895 -19.128 2.172 1.00 1.99 O ATOM 0 H GLU A 26 -12.187 -15.318 -0.008 1.00 0.64 H new ATOM 0 HA GLU A 26 -9.504 -15.366 -0.631 1.00 0.60 H new ATOM 0 HB2 GLU A 26 -11.548 -17.621 -0.659 1.00 0.64 H new ATOM 0 HB3 GLU A 26 -9.812 -17.853 -0.604 1.00 0.64 H new ATOM 0 HG2 GLU A 26 -9.710 -16.675 1.567 1.00 1.42 H new ATOM 0 HG3 GLU A 26 -11.440 -16.400 1.509 1.00 1.42 H new ATOM 390 N ASP A 27 -11.374 -16.055 -3.225 1.00 0.65 N ATOM 391 CA ASP A 27 -11.338 -16.263 -4.670 1.00 0.70 C ATOM 392 C ASP A 27 -10.467 -15.214 -5.358 1.00 0.70 C ATOM 393 O ASP A 27 -9.612 -15.548 -6.179 1.00 0.71 O ATOM 394 CB ASP A 27 -12.755 -16.217 -5.244 1.00 0.80 C ATOM 395 CG ASP A 27 -13.681 -17.221 -4.585 1.00 1.44 C ATOM 396 OD1 ASP A 27 -13.687 -18.394 -5.015 1.00 1.62 O ATOM 397 OD2 ASP A 27 -14.399 -16.836 -3.640 1.00 2.29 O ATOM 0 H ASP A 27 -12.308 -15.915 -2.839 1.00 0.65 H new ATOM 0 HA ASP A 27 -10.903 -17.245 -4.857 1.00 0.70 H new ATOM 0 HB2 ASP A 27 -13.163 -15.214 -5.117 1.00 0.80 H new ATOM 0 HB3 ASP A 27 -12.716 -16.412 -6.316 1.00 0.80 H new ATOM 402 N LEU A 28 -10.690 -13.951 -5.019 1.00 0.73 N ATOM 403 CA LEU A 28 -9.922 -12.851 -5.598 1.00 0.78 C ATOM 404 C LEU A 28 -8.483 -12.847 -5.087 1.00 0.74 C ATOM 405 O LEU A 28 -7.549 -12.548 -5.832 1.00 0.77 O ATOM 406 CB LEU A 28 -10.587 -11.509 -5.283 1.00 0.90 C ATOM 407 CG LEU A 28 -11.726 -11.104 -6.225 1.00 1.08 C ATOM 408 CD1 LEU A 28 -12.851 -12.129 -6.184 1.00 1.65 C ATOM 409 CD2 LEU A 28 -12.248 -9.723 -5.862 1.00 1.60 C ATOM 0 H LEU A 28 -11.398 -13.660 -4.345 1.00 0.73 H new ATOM 0 HA LEU A 28 -9.902 -12.997 -6.678 1.00 0.78 H new ATOM 0 HB2 LEU A 28 -10.975 -11.545 -4.265 1.00 0.90 H new ATOM 0 HB3 LEU A 28 -9.825 -10.730 -5.306 1.00 0.90 H new ATOM 0 HG LEU A 28 -11.334 -11.070 -7.242 1.00 1.08 H new ATOM 0 HD11 LEU A 28 -13.649 -11.821 -6.860 1.00 1.65 H new ATOM 0 HD12 LEU A 28 -12.468 -13.102 -6.493 1.00 1.65 H new ATOM 0 HD13 LEU A 28 -13.243 -12.199 -5.169 1.00 1.65 H new ATOM 0 HD21 LEU A 28 -13.056 -9.450 -6.540 1.00 1.60 H new ATOM 0 HD22 LEU A 28 -12.621 -9.733 -4.838 1.00 1.60 H new ATOM 0 HD23 LEU A 28 -11.441 -8.995 -5.947 1.00 1.60 H new ATOM 415 N ILE A 29 -8.318 -13.184 -3.813 1.00 0.70 N ATOM 416 CA ILE A 29 -7.005 -13.196 -3.177 1.00 0.72 C ATOM 417 C ILE A 29 -6.047 -14.174 -3.851 1.00 0.66 C ATOM 418 O ILE A 29 -4.898 -13.832 -4.126 1.00 0.70 O ATOM 419 CB ILE A 29 -7.125 -13.551 -1.684 1.00 0.76 C ATOM 420 CG1 ILE A 29 -8.048 -12.553 -0.988 1.00 1.01 C ATOM 421 CG2 ILE A 29 -5.753 -13.561 -1.024 1.00 0.90 C ATOM 422 CD1 ILE A 29 -8.688 -13.090 0.270 1.00 1.27 C ATOM 0 H ILE A 29 -9.084 -13.455 -3.196 1.00 0.70 H new ATOM 0 HA ILE A 29 -6.597 -12.191 -3.284 1.00 0.72 H new ATOM 0 HB ILE A 29 -7.552 -14.550 -1.592 1.00 0.76 H new ATOM 0 HG12 ILE A 29 -7.479 -11.657 -0.741 1.00 1.01 H new ATOM 0 HG13 ILE A 29 -8.832 -12.251 -1.683 1.00 1.01 H new ATOM 0 HG21 ILE A 29 -5.859 -13.814 0.031 1.00 0.90 H new ATOM 0 HG22 ILE A 29 -5.119 -14.301 -1.513 1.00 0.90 H new ATOM 0 HG23 ILE A 29 -5.297 -12.575 -1.117 1.00 0.90 H new ATOM 0 HD11 ILE A 29 -9.329 -12.324 0.708 1.00 1.27 H new ATOM 0 HD12 ILE A 29 -9.286 -13.969 0.028 1.00 1.27 H new ATOM 0 HD13 ILE A 29 -7.912 -13.365 0.984 1.00 1.27 H new ATOM 426 N GLN A 30 -6.519 -15.387 -4.109 1.00 0.61 N ATOM 427 CA GLN A 30 -5.693 -16.408 -4.744 1.00 0.62 C ATOM 428 C GLN A 30 -5.223 -15.957 -6.125 1.00 0.62 C ATOM 429 O GLN A 30 -4.065 -16.161 -6.494 1.00 0.64 O ATOM 430 CB GLN A 30 -6.468 -17.721 -4.852 1.00 0.68 C ATOM 431 CG GLN A 30 -6.885 -18.293 -3.506 1.00 0.73 C ATOM 432 CD GLN A 30 -5.703 -18.568 -2.596 1.00 0.99 C ATOM 433 OE1 GLN A 30 -5.129 -19.658 -2.618 1.00 1.44 O ATOM 434 NE2 GLN A 30 -5.336 -17.580 -1.786 1.00 1.08 N ATOM 0 H GLN A 30 -7.468 -15.688 -3.889 1.00 0.61 H new ATOM 0 HA GLN A 30 -4.811 -16.565 -4.122 1.00 0.62 H new ATOM 0 HB2 GLN A 30 -7.358 -17.559 -5.460 1.00 0.68 H new ATOM 0 HB3 GLN A 30 -5.854 -18.454 -5.375 1.00 0.68 H new ATOM 0 HG2 GLN A 30 -7.563 -17.596 -3.014 1.00 0.73 H new ATOM 0 HG3 GLN A 30 -7.439 -19.218 -3.665 1.00 0.73 H new ATOM 0 HE21 GLN A 30 -5.840 -16.694 -1.802 1.00 1.08 H new ATOM 0 HE22 GLN A 30 -4.550 -17.708 -1.149 1.00 1.08 H new ATOM 441 N LYS A 31 -6.126 -15.348 -6.885 1.00 0.65 N ATOM 442 CA LYS A 31 -5.802 -14.865 -8.224 1.00 0.72 C ATOM 443 C LYS A 31 -4.846 -13.676 -8.166 1.00 0.72 C ATOM 444 O LYS A 31 -4.014 -13.493 -9.055 1.00 0.76 O ATOM 445 CB LYS A 31 -7.079 -14.473 -8.966 1.00 0.86 C ATOM 446 CG LYS A 31 -8.058 -15.621 -9.137 1.00 1.19 C ATOM 447 CD LYS A 31 -9.406 -15.130 -9.636 1.00 1.49 C ATOM 448 CE LYS A 31 -10.340 -16.289 -9.949 1.00 2.17 C ATOM 449 NZ LYS A 31 -11.668 -15.817 -10.426 1.00 2.84 N ATOM 0 H LYS A 31 -7.089 -15.176 -6.597 1.00 0.65 H new ATOM 0 HA LYS A 31 -5.307 -15.673 -8.763 1.00 0.72 H new ATOM 0 HB2 LYS A 31 -7.571 -13.665 -8.425 1.00 0.86 H new ATOM 0 HB3 LYS A 31 -6.813 -14.083 -9.949 1.00 0.86 H new ATOM 0 HG2 LYS A 31 -7.650 -16.347 -9.840 1.00 1.19 H new ATOM 0 HG3 LYS A 31 -8.186 -16.137 -8.185 1.00 1.19 H new ATOM 0 HD2 LYS A 31 -9.862 -14.487 -8.883 1.00 1.49 H new ATOM 0 HD3 LYS A 31 -9.265 -14.523 -10.530 1.00 1.49 H new ATOM 0 HE2 LYS A 31 -9.887 -16.926 -10.709 1.00 2.17 H new ATOM 0 HE3 LYS A 31 -10.471 -16.901 -9.057 1.00 2.17 H new ATOM 0 HZ1 LYS A 31 -12.275 -16.636 -10.629 1.00 2.84 H new ATOM 0 HZ2 LYS A 31 -12.112 -15.230 -9.691 1.00 2.84 H new ATOM 0 HZ3 LYS A 31 -11.546 -15.254 -11.292 1.00 2.84 H new ATOM 463 N GLY A 32 -4.970 -12.871 -7.114 1.00 0.73 N ATOM 464 CA GLY A 32 -4.117 -11.704 -6.964 1.00 0.81 C ATOM 465 C GLY A 32 -2.694 -12.058 -6.574 1.00 0.76 C ATOM 466 O GLY A 32 -1.740 -11.547 -7.163 1.00 0.83 O ATOM 0 H GLY A 32 -5.646 -13.006 -6.362 1.00 0.73 H new ATOM 0 HA2 GLY A 32 -4.104 -11.147 -7.901 1.00 0.81 H new ATOM 0 HA3 GLY A 32 -4.542 -11.044 -6.207 1.00 0.81 H new ATOM 470 N LYS A 33 -2.549 -12.928 -5.582 1.00 0.72 N ATOM 471 CA LYS A 33 -1.231 -13.343 -5.112 1.00 0.76 C ATOM 472 C LYS A 33 -0.448 -14.041 -6.219 1.00 0.70 C ATOM 473 O LYS A 33 0.780 -13.962 -6.268 1.00 0.77 O ATOM 474 CB LYS A 33 -1.358 -14.267 -3.899 1.00 0.83 C ATOM 475 CG LYS A 33 -2.173 -15.522 -4.171 1.00 0.79 C ATOM 476 CD LYS A 33 -2.229 -16.429 -2.952 1.00 0.92 C ATOM 477 CE LYS A 33 -0.876 -17.058 -2.659 1.00 1.16 C ATOM 478 NZ LYS A 33 -0.390 -17.884 -3.801 1.00 1.82 N ATOM 0 H LYS A 33 -3.328 -13.361 -5.086 1.00 0.72 H new ATOM 0 HA LYS A 33 -0.686 -12.446 -4.818 1.00 0.76 H new ATOM 0 HB2 LYS A 33 -0.361 -14.556 -3.568 1.00 0.83 H new ATOM 0 HB3 LYS A 33 -1.819 -13.715 -3.079 1.00 0.83 H new ATOM 0 HG2 LYS A 33 -3.185 -15.243 -4.464 1.00 0.79 H new ATOM 0 HG3 LYS A 33 -1.737 -16.065 -5.009 1.00 0.79 H new ATOM 0 HD2 LYS A 33 -2.559 -15.855 -2.086 1.00 0.92 H new ATOM 0 HD3 LYS A 33 -2.968 -17.214 -3.115 1.00 0.92 H new ATOM 0 HE2 LYS A 33 -0.150 -16.274 -2.443 1.00 1.16 H new ATOM 0 HE3 LYS A 33 -0.950 -17.679 -1.767 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 0.345 -18.540 -3.467 1.00 1.82 H new ATOM 0 HZ2 LYS A 33 -1.183 -18.426 -4.199 1.00 1.82 H new ATOM 0 HZ3 LYS A 33 0.008 -17.263 -4.534 1.00 1.82 H new ATOM 492 N ASP A 34 -1.164 -14.726 -7.106 1.00 0.64 N ATOM 493 CA ASP A 34 -0.531 -15.437 -8.212 1.00 0.65 C ATOM 494 C ASP A 34 0.191 -14.461 -9.137 1.00 0.57 C ATOM 495 O ASP A 34 1.088 -14.849 -9.887 1.00 0.60 O ATOM 496 CB ASP A 34 -1.574 -16.231 -9.000 1.00 0.74 C ATOM 497 CG ASP A 34 -0.945 -17.121 -10.055 1.00 1.17 C ATOM 498 OD1 ASP A 34 -0.654 -16.617 -11.160 1.00 1.89 O ATOM 499 OD2 ASP A 34 -0.746 -18.322 -9.777 1.00 1.17 O ATOM 0 H ASP A 34 -2.181 -14.804 -7.081 1.00 0.64 H new ATOM 0 HA ASP A 34 0.202 -16.130 -7.798 1.00 0.65 H new ATOM 0 HB2 ASP A 34 -2.157 -16.843 -8.312 1.00 0.74 H new ATOM 0 HB3 ASP A 34 -2.268 -15.540 -9.478 1.00 0.74 H new ATOM 504 N ILE A 35 -0.207 -13.193 -9.076 1.00 0.52 N ATOM 505 CA ILE A 35 0.400 -12.157 -9.902 1.00 0.48 C ATOM 506 C ILE A 35 1.195 -11.173 -9.049 1.00 0.43 C ATOM 507 O ILE A 35 0.659 -10.568 -8.119 1.00 0.46 O ATOM 508 CB ILE A 35 -0.666 -11.381 -10.706 1.00 0.52 C ATOM 509 CG1 ILE A 35 -1.380 -12.320 -11.682 1.00 0.61 C ATOM 510 CG2 ILE A 35 -0.028 -10.214 -11.450 1.00 0.55 C ATOM 511 CD1 ILE A 35 -2.549 -11.677 -12.400 1.00 1.28 C ATOM 0 H ILE A 35 -0.949 -12.859 -8.461 1.00 0.52 H new ATOM 0 HA ILE A 35 1.073 -12.659 -10.597 1.00 0.48 H new ATOM 0 HB ILE A 35 -1.404 -10.979 -10.011 1.00 0.52 H new ATOM 0 HG12 ILE A 35 -0.662 -12.676 -12.421 1.00 0.61 H new ATOM 0 HG13 ILE A 35 -1.736 -13.194 -11.137 1.00 0.61 H new ATOM 0 HG21 ILE A 35 -0.793 -9.678 -12.011 1.00 0.55 H new ATOM 0 HG22 ILE A 35 0.438 -9.537 -10.734 1.00 0.55 H new ATOM 0 HG23 ILE A 35 0.729 -10.591 -12.138 1.00 0.55 H new ATOM 0 HD11 ILE A 35 -3.005 -12.402 -13.074 1.00 1.28 H new ATOM 0 HD12 ILE A 35 -3.287 -11.346 -11.670 1.00 1.28 H new ATOM 0 HD13 ILE A 35 -2.197 -10.820 -12.974 1.00 1.28 H new ATOM 515 N LYS A 36 2.477 -11.019 -9.371 1.00 0.40 N ATOM 516 CA LYS A 36 3.347 -10.105 -8.641 1.00 0.38 C ATOM 517 C LYS A 36 2.814 -8.679 -8.718 1.00 0.38 C ATOM 518 O LYS A 36 2.767 -8.083 -9.795 1.00 0.51 O ATOM 519 CB LYS A 36 4.766 -10.160 -9.209 1.00 0.41 C ATOM 520 CG LYS A 36 5.423 -11.524 -9.074 1.00 1.03 C ATOM 521 CD LYS A 36 6.857 -11.504 -9.574 1.00 1.53 C ATOM 522 CE LYS A 36 7.534 -12.850 -9.376 1.00 2.02 C ATOM 523 NZ LYS A 36 6.879 -13.926 -10.172 1.00 2.58 N ATOM 0 H LYS A 36 2.936 -11.517 -10.134 1.00 0.40 H new ATOM 0 HA LYS A 36 3.368 -10.414 -7.596 1.00 0.38 H new ATOM 0 HB2 LYS A 36 4.738 -9.882 -10.263 1.00 0.41 H new ATOM 0 HB3 LYS A 36 5.381 -9.418 -8.700 1.00 0.41 H new ATOM 0 HG2 LYS A 36 5.405 -11.836 -8.030 1.00 1.03 H new ATOM 0 HG3 LYS A 36 4.851 -12.262 -9.637 1.00 1.03 H new ATOM 0 HD2 LYS A 36 6.871 -11.240 -10.632 1.00 1.53 H new ATOM 0 HD3 LYS A 36 7.417 -10.732 -9.046 1.00 1.53 H new ATOM 0 HE2 LYS A 36 8.583 -12.774 -9.663 1.00 2.02 H new ATOM 0 HE3 LYS A 36 7.511 -13.116 -8.319 1.00 2.02 H new ATOM 0 HZ1 LYS A 36 7.466 -14.784 -10.144 1.00 2.58 H new ATOM 0 HZ2 LYS A 36 5.942 -14.134 -9.771 1.00 2.58 H new ATOM 0 HZ3 LYS A 36 6.771 -13.612 -11.158 1.00 2.58 H new ATOM 537 N GLY A 37 2.412 -8.141 -7.571 1.00 0.45 N ATOM 538 CA GLY A 37 1.883 -6.790 -7.529 1.00 0.49 C ATOM 539 C GLY A 37 2.850 -5.765 -8.086 1.00 0.40 C ATOM 540 O GLY A 37 4.061 -5.989 -8.106 1.00 0.39 O ATOM 0 H GLY A 37 2.443 -8.617 -6.669 1.00 0.45 H new ATOM 0 HA2 GLY A 37 0.953 -6.751 -8.095 1.00 0.49 H new ATOM 0 HA3 GLY A 37 1.640 -6.531 -6.498 1.00 0.49 H new ATOM 544 N VAL A 38 2.311 -4.638 -8.537 1.00 0.42 N ATOM 545 CA VAL A 38 3.128 -3.567 -9.097 1.00 0.40 C ATOM 546 C VAL A 38 2.913 -2.269 -8.331 1.00 0.40 C ATOM 547 O VAL A 38 1.777 -1.880 -8.060 1.00 0.48 O ATOM 548 CB VAL A 38 2.798 -3.331 -10.585 1.00 0.51 C ATOM 549 CG1 VAL A 38 3.796 -2.367 -11.210 1.00 0.67 C ATOM 550 CG2 VAL A 38 2.771 -4.650 -11.343 1.00 0.80 C ATOM 0 H VAL A 38 1.310 -4.442 -8.526 1.00 0.42 H new ATOM 0 HA VAL A 38 4.170 -3.876 -9.009 1.00 0.40 H new ATOM 0 HB VAL A 38 1.807 -2.882 -10.650 1.00 0.51 H new ATOM 0 HG11 VAL A 38 3.546 -2.214 -12.260 1.00 0.67 H new ATOM 0 HG12 VAL A 38 3.758 -1.413 -10.685 1.00 0.67 H new ATOM 0 HG13 VAL A 38 4.801 -2.783 -11.134 1.00 0.67 H new ATOM 0 HG21 VAL A 38 2.537 -4.463 -12.391 1.00 0.80 H new ATOM 0 HG22 VAL A 38 3.746 -5.132 -11.270 1.00 0.80 H new ATOM 0 HG23 VAL A 38 2.011 -5.302 -10.912 1.00 0.80 H new ATOM 554 N SER A 39 4.008 -1.602 -7.982 1.00 0.37 N ATOM 555 CA SER A 39 3.929 -0.350 -7.241 1.00 0.40 C ATOM 556 C SER A 39 4.886 0.695 -7.809 1.00 0.39 C ATOM 557 O SER A 39 6.047 0.401 -8.095 1.00 0.44 O ATOM 558 CB SER A 39 4.238 -0.589 -5.763 1.00 0.47 C ATOM 559 OG SER A 39 3.314 -1.497 -5.190 1.00 1.40 O ATOM 0 H SER A 39 4.957 -1.907 -8.200 1.00 0.37 H new ATOM 0 HA SER A 39 2.913 0.031 -7.340 1.00 0.40 H new ATOM 0 HB2 SER A 39 5.250 -0.980 -5.658 1.00 0.47 H new ATOM 0 HB3 SER A 39 4.205 0.358 -5.224 1.00 0.47 H new ATOM 0 HG SER A 39 3.534 -1.635 -4.245 1.00 1.40 H new ATOM 565 N GLU A 40 4.384 1.915 -7.970 1.00 0.38 N ATOM 566 CA GLU A 40 5.184 3.018 -8.488 1.00 0.39 C ATOM 567 C GLU A 40 4.956 4.271 -7.649 1.00 0.39 C ATOM 568 O GLU A 40 3.816 4.605 -7.325 1.00 0.45 O ATOM 569 CB GLU A 40 4.835 3.293 -9.951 1.00 0.43 C ATOM 570 CG GLU A 40 5.657 4.408 -10.571 1.00 1.21 C ATOM 571 CD GLU A 40 5.444 4.529 -12.067 1.00 1.54 C ATOM 572 OE1 GLU A 40 6.159 3.841 -12.827 1.00 1.57 O ATOM 573 OE2 GLU A 40 4.560 5.307 -12.481 1.00 2.16 O ATOM 0 H GLU A 40 3.421 2.165 -7.747 1.00 0.38 H new ATOM 0 HA GLU A 40 6.236 2.740 -8.430 1.00 0.39 H new ATOM 0 HB2 GLU A 40 4.981 2.380 -10.529 1.00 0.43 H new ATOM 0 HB3 GLU A 40 3.778 3.549 -10.022 1.00 0.43 H new ATOM 0 HG2 GLU A 40 5.398 5.353 -10.094 1.00 1.21 H new ATOM 0 HG3 GLU A 40 6.714 4.229 -10.372 1.00 1.21 H new ATOM 580 N ILE A 41 6.036 4.962 -7.300 1.00 0.39 N ATOM 581 CA ILE A 41 5.927 6.165 -6.482 1.00 0.41 C ATOM 582 C ILE A 41 6.548 7.380 -7.162 1.00 0.40 C ATOM 583 O ILE A 41 7.743 7.401 -7.453 1.00 0.43 O ATOM 584 CB ILE A 41 6.610 5.968 -5.114 1.00 0.48 C ATOM 585 CG1 ILE A 41 6.165 4.647 -4.481 1.00 0.57 C ATOM 586 CG2 ILE A 41 6.298 7.137 -4.195 1.00 0.55 C ATOM 587 CD1 ILE A 41 6.858 4.334 -3.170 1.00 1.16 C ATOM 0 H ILE A 41 6.988 4.713 -7.568 1.00 0.39 H new ATOM 0 HA ILE A 41 4.861 6.344 -6.344 1.00 0.41 H new ATOM 0 HB ILE A 41 7.689 5.929 -5.264 1.00 0.48 H new ATOM 0 HG12 ILE A 41 5.088 4.679 -4.314 1.00 0.57 H new ATOM 0 HG13 ILE A 41 6.354 3.836 -5.184 1.00 0.57 H new ATOM 0 HG21 ILE A 41 6.787 6.984 -3.233 1.00 0.55 H new ATOM 0 HG22 ILE A 41 6.663 8.061 -4.645 1.00 0.55 H new ATOM 0 HG23 ILE A 41 5.220 7.206 -4.047 1.00 0.55 H new ATOM 0 HD11 ILE A 41 6.491 3.384 -2.782 1.00 1.16 H new ATOM 0 HD12 ILE A 41 7.934 4.268 -3.334 1.00 1.16 H new ATOM 0 HD13 ILE A 41 6.648 5.125 -2.450 1.00 1.16 H new ATOM 591 N VAL A 42 5.721 8.391 -7.409 1.00 0.39 N ATOM 592 CA VAL A 42 6.181 9.629 -8.022 1.00 0.41 C ATOM 593 C VAL A 42 6.190 10.742 -6.980 1.00 0.41 C ATOM 594 O VAL A 42 5.137 11.143 -6.488 1.00 0.42 O ATOM 595 CB VAL A 42 5.285 10.047 -9.202 1.00 0.45 C ATOM 596 CG1 VAL A 42 5.975 11.104 -10.049 1.00 0.52 C ATOM 597 CG2 VAL A 42 4.910 8.837 -10.045 1.00 0.50 C ATOM 0 H VAL A 42 4.724 8.375 -7.192 1.00 0.39 H new ATOM 0 HA VAL A 42 7.188 9.458 -8.403 1.00 0.41 H new ATOM 0 HB VAL A 42 4.368 10.479 -8.801 1.00 0.45 H new ATOM 0 HG11 VAL A 42 5.326 11.387 -10.878 1.00 0.52 H new ATOM 0 HG12 VAL A 42 6.184 11.981 -9.437 1.00 0.52 H new ATOM 0 HG13 VAL A 42 6.910 10.703 -10.440 1.00 0.52 H new ATOM 0 HG21 VAL A 42 4.277 9.153 -10.874 1.00 0.50 H new ATOM 0 HG22 VAL A 42 5.815 8.372 -10.437 1.00 0.50 H new ATOM 0 HG23 VAL A 42 4.370 8.118 -9.429 1.00 0.50 H new ATOM 601 N HIS A 43 7.375 11.243 -6.648 1.00 0.45 N ATOM 602 CA HIS A 43 7.493 12.291 -5.640 1.00 0.48 C ATOM 603 C HIS A 43 8.034 13.589 -6.232 1.00 0.51 C ATOM 604 O HIS A 43 9.164 13.643 -6.715 1.00 0.58 O ATOM 605 CB HIS A 43 8.393 11.811 -4.500 1.00 0.57 C ATOM 606 CG HIS A 43 8.401 12.721 -3.311 1.00 0.72 C ATOM 607 ND1 HIS A 43 9.070 13.875 -3.079 1.00 1.30 N flip ATOM 608 CD2 HIS A 43 7.656 12.477 -2.175 1.00 0.78 C flip ATOM 609 CE1 HIS A 43 8.724 14.301 -1.821 1.00 1.31 C flip ATOM 610 NE2 HIS A 43 7.870 13.441 -1.297 1.00 0.87 N flip ATOM 0 H HIS A 43 8.260 10.944 -7.058 1.00 0.45 H new ATOM 0 HA HIS A 43 6.496 12.501 -5.254 1.00 0.48 H new ATOM 0 HB2 HIS A 43 8.067 10.820 -4.185 1.00 0.57 H new ATOM 0 HB3 HIS A 43 9.412 11.707 -4.873 1.00 0.57 H new ATOM 0 HD1 HIS A 43 9.712 14.341 -3.720 1.00 1.30 H new ATOM 0 HD2 HIS A 43 7.001 11.631 -2.027 1.00 0.78 H new ATOM 0 HE1 HIS A 43 9.091 15.195 -1.338 1.00 1.31 H new ATOM 619 N GLU A 44 7.210 14.635 -6.189 1.00 0.51 N ATOM 620 CA GLU A 44 7.594 15.943 -6.710 1.00 0.58 C ATOM 621 C GLU A 44 7.142 17.059 -5.769 1.00 0.61 C ATOM 622 O GLU A 44 5.970 17.434 -5.754 1.00 0.64 O ATOM 623 CB GLU A 44 6.990 16.161 -8.098 1.00 0.63 C ATOM 624 CG GLU A 44 7.489 15.175 -9.141 1.00 1.32 C ATOM 625 CD GLU A 44 6.820 15.364 -10.488 1.00 1.93 C ATOM 626 OE1 GLU A 44 7.342 16.152 -11.305 1.00 2.53 O ATOM 627 OE2 GLU A 44 5.776 14.722 -10.728 1.00 2.45 O ATOM 0 H GLU A 44 6.269 14.600 -5.797 1.00 0.51 H new ATOM 0 HA GLU A 44 8.681 15.970 -6.784 1.00 0.58 H new ATOM 0 HB2 GLU A 44 5.905 16.085 -8.029 1.00 0.63 H new ATOM 0 HB3 GLU A 44 7.218 17.174 -8.429 1.00 0.63 H new ATOM 0 HG2 GLU A 44 8.567 15.288 -9.256 1.00 1.32 H new ATOM 0 HG3 GLU A 44 7.310 14.159 -8.790 1.00 1.32 H new ATOM 634 N GLY A 45 8.080 17.587 -4.989 1.00 0.65 N ATOM 635 CA GLY A 45 7.762 18.659 -4.061 1.00 0.70 C ATOM 636 C GLY A 45 6.799 18.231 -2.967 1.00 0.81 C ATOM 637 O GLY A 45 5.726 18.816 -2.815 1.00 1.77 O ATOM 0 H GLY A 45 9.056 17.292 -4.983 1.00 0.65 H new ATOM 0 HA2 GLY A 45 8.683 19.022 -3.605 1.00 0.70 H new ATOM 0 HA3 GLY A 45 7.329 19.493 -4.613 1.00 0.70 H new ATOM 641 N LYS A 46 7.185 17.204 -2.211 1.00 0.68 N ATOM 642 CA LYS A 46 6.365 16.684 -1.113 1.00 0.64 C ATOM 643 C LYS A 46 5.074 16.041 -1.623 1.00 0.57 C ATOM 644 O LYS A 46 4.345 15.410 -0.856 1.00 0.60 O ATOM 645 CB LYS A 46 6.032 17.792 -0.111 1.00 0.69 C ATOM 646 CG LYS A 46 7.228 18.640 0.288 1.00 1.50 C ATOM 647 CD LYS A 46 6.838 19.723 1.278 1.00 1.65 C ATOM 648 CE LYS A 46 7.859 20.846 1.290 1.00 2.57 C ATOM 649 NZ LYS A 46 7.701 21.756 0.122 1.00 3.15 N ATOM 0 H LYS A 46 8.068 16.711 -2.339 1.00 0.68 H new ATOM 0 HA LYS A 46 6.952 15.914 -0.613 1.00 0.64 H new ATOM 0 HB2 LYS A 46 5.267 18.439 -0.540 1.00 0.69 H new ATOM 0 HB3 LYS A 46 5.603 17.342 0.784 1.00 0.69 H new ATOM 0 HG2 LYS A 46 7.996 18.004 0.728 1.00 1.50 H new ATOM 0 HG3 LYS A 46 7.663 19.098 -0.600 1.00 1.50 H new ATOM 0 HD2 LYS A 46 5.857 20.122 1.018 1.00 1.65 H new ATOM 0 HD3 LYS A 46 6.753 19.294 2.276 1.00 1.65 H new ATOM 0 HE2 LYS A 46 7.757 21.418 2.212 1.00 2.57 H new ATOM 0 HE3 LYS A 46 8.863 20.423 1.287 1.00 2.57 H new ATOM 0 HZ1 LYS A 46 8.361 22.555 0.213 1.00 3.15 H new ATOM 0 HZ2 LYS A 46 7.907 21.235 -0.754 1.00 3.15 H new ATOM 0 HZ3 LYS A 46 6.725 22.115 0.091 1.00 3.15 H new ATOM 663 N LYS A 47 4.795 16.204 -2.911 1.00 0.55 N ATOM 664 CA LYS A 47 3.594 15.633 -3.514 1.00 0.52 C ATOM 665 C LYS A 47 3.895 14.242 -4.060 1.00 0.47 C ATOM 666 O LYS A 47 4.586 14.097 -5.068 1.00 0.53 O ATOM 667 CB LYS A 47 3.089 16.550 -4.629 1.00 0.61 C ATOM 668 CG LYS A 47 1.959 15.962 -5.458 1.00 1.25 C ATOM 669 CD LYS A 47 1.587 16.880 -6.605 1.00 1.65 C ATOM 670 CE LYS A 47 0.646 16.202 -7.587 1.00 2.25 C ATOM 671 NZ LYS A 47 0.383 17.053 -8.780 1.00 2.71 N ATOM 0 H LYS A 47 5.384 16.727 -3.559 1.00 0.55 H new ATOM 0 HA LYS A 47 2.817 15.545 -2.755 1.00 0.52 H new ATOM 0 HB2 LYS A 47 2.750 17.487 -4.187 1.00 0.61 H new ATOM 0 HB3 LYS A 47 3.921 16.791 -5.290 1.00 0.61 H new ATOM 0 HG2 LYS A 47 2.259 14.990 -5.849 1.00 1.25 H new ATOM 0 HG3 LYS A 47 1.088 15.796 -4.824 1.00 1.25 H new ATOM 0 HD2 LYS A 47 1.115 17.780 -6.212 1.00 1.65 H new ATOM 0 HD3 LYS A 47 2.491 17.195 -7.126 1.00 1.65 H new ATOM 0 HE2 LYS A 47 1.076 15.253 -7.906 1.00 2.25 H new ATOM 0 HE3 LYS A 47 -0.296 15.974 -7.089 1.00 2.25 H new ATOM 0 HZ1 LYS A 47 -0.263 16.556 -9.426 1.00 2.71 H new ATOM 0 HZ2 LYS A 47 -0.051 17.949 -8.479 1.00 2.71 H new ATOM 0 HZ3 LYS A 47 1.279 17.250 -9.270 1.00 2.71 H new ATOM 685 N VAL A 48 3.368 13.222 -3.393 1.00 0.44 N ATOM 686 CA VAL A 48 3.608 11.844 -3.800 1.00 0.44 C ATOM 687 C VAL A 48 2.378 11.202 -4.434 1.00 0.43 C ATOM 688 O VAL A 48 1.247 11.447 -4.019 1.00 0.52 O ATOM 689 CB VAL A 48 4.063 10.988 -2.604 1.00 0.50 C ATOM 690 CG1 VAL A 48 3.007 10.967 -1.513 1.00 1.36 C ATOM 691 CG2 VAL A 48 4.405 9.577 -3.049 1.00 1.31 C ATOM 0 H VAL A 48 2.773 13.323 -2.570 1.00 0.44 H new ATOM 0 HA VAL A 48 4.398 11.880 -4.550 1.00 0.44 H new ATOM 0 HB VAL A 48 4.963 11.443 -2.191 1.00 0.50 H new ATOM 0 HG11 VAL A 48 3.355 10.355 -0.681 1.00 1.36 H new ATOM 0 HG12 VAL A 48 2.824 11.983 -1.164 1.00 1.36 H new ATOM 0 HG13 VAL A 48 2.082 10.548 -1.910 1.00 1.36 H new ATOM 0 HG21 VAL A 48 4.724 8.991 -2.187 1.00 1.31 H new ATOM 0 HG22 VAL A 48 3.526 9.114 -3.498 1.00 1.31 H new ATOM 0 HG23 VAL A 48 5.211 9.612 -3.782 1.00 1.31 H new ATOM 695 N LYS A 49 2.620 10.387 -5.457 1.00 0.43 N ATOM 696 CA LYS A 49 1.558 9.675 -6.154 1.00 0.44 C ATOM 697 C LYS A 49 1.880 8.185 -6.191 1.00 0.42 C ATOM 698 O LYS A 49 2.942 7.786 -6.672 1.00 0.44 O ATOM 699 CB LYS A 49 1.396 10.213 -7.577 1.00 0.51 C ATOM 700 CG LYS A 49 0.968 11.670 -7.635 1.00 1.22 C ATOM 701 CD LYS A 49 0.637 12.100 -9.057 1.00 1.35 C ATOM 702 CE LYS A 49 -0.648 11.452 -9.553 1.00 1.95 C ATOM 703 NZ LYS A 49 -0.964 11.844 -10.956 1.00 2.54 N ATOM 0 H LYS A 49 3.554 10.203 -5.823 1.00 0.43 H new ATOM 0 HA LYS A 49 0.620 9.828 -5.620 1.00 0.44 H new ATOM 0 HB2 LYS A 49 2.341 10.100 -8.108 1.00 0.51 H new ATOM 0 HB3 LYS A 49 0.660 9.606 -8.104 1.00 0.51 H new ATOM 0 HG2 LYS A 49 0.097 11.820 -6.997 1.00 1.22 H new ATOM 0 HG3 LYS A 49 1.765 12.300 -7.240 1.00 1.22 H new ATOM 0 HD2 LYS A 49 0.537 13.185 -9.096 1.00 1.35 H new ATOM 0 HD3 LYS A 49 1.460 11.832 -9.720 1.00 1.35 H new ATOM 0 HE2 LYS A 49 -0.555 10.368 -9.492 1.00 1.95 H new ATOM 0 HE3 LYS A 49 -1.474 11.738 -8.902 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 -1.846 11.381 -11.255 1.00 2.54 H new ATOM 0 HZ2 LYS A 49 -1.078 12.876 -11.011 1.00 2.54 H new ATOM 0 HZ3 LYS A 49 -0.188 11.548 -11.582 1.00 2.54 H new ATOM 717 N LEU A 50 0.968 7.364 -5.685 1.00 0.40 N ATOM 718 CA LEU A 50 1.183 5.922 -5.650 1.00 0.40 C ATOM 719 C LEU A 50 0.242 5.201 -6.606 1.00 0.36 C ATOM 720 O LEU A 50 -0.967 5.437 -6.602 1.00 0.38 O ATOM 721 CB LEU A 50 0.986 5.397 -4.224 1.00 0.48 C ATOM 722 CG LEU A 50 1.864 4.204 -3.838 1.00 0.74 C ATOM 723 CD1 LEU A 50 1.723 3.898 -2.355 1.00 1.34 C ATOM 724 CD2 LEU A 50 1.506 2.978 -4.665 1.00 1.69 C ATOM 0 H LEU A 50 0.076 7.670 -5.295 1.00 0.40 H new ATOM 0 HA LEU A 50 2.206 5.724 -5.969 1.00 0.40 H new ATOM 0 HB2 LEU A 50 1.180 6.211 -3.525 1.00 0.48 H new ATOM 0 HB3 LEU A 50 -0.059 5.113 -4.100 1.00 0.48 H new ATOM 0 HG LEU A 50 2.902 4.466 -4.045 1.00 0.74 H new ATOM 0 HD11 LEU A 50 2.354 3.047 -2.097 1.00 1.34 H new ATOM 0 HD12 LEU A 50 2.031 4.767 -1.773 1.00 1.34 H new ATOM 0 HD13 LEU A 50 0.683 3.660 -2.130 1.00 1.34 H new ATOM 0 HD21 LEU A 50 2.143 2.143 -4.373 1.00 1.69 H new ATOM 0 HD22 LEU A 50 0.462 2.715 -4.493 1.00 1.69 H new ATOM 0 HD23 LEU A 50 1.656 3.196 -5.722 1.00 1.69 H new ATOM 730 N THR A 51 0.807 4.321 -7.427 1.00 0.36 N ATOM 731 CA THR A 51 0.020 3.560 -8.385 1.00 0.37 C ATOM 732 C THR A 51 0.200 2.060 -8.171 1.00 0.39 C ATOM 733 O THR A 51 1.323 1.556 -8.142 1.00 0.45 O ATOM 734 CB THR A 51 0.406 3.914 -9.835 1.00 0.47 C ATOM 735 OG1 THR A 51 0.291 5.326 -10.041 1.00 0.61 O ATOM 736 CG2 THR A 51 -0.483 3.181 -10.828 1.00 0.63 C ATOM 0 H THR A 51 1.807 4.119 -7.446 1.00 0.36 H new ATOM 0 HA THR A 51 -1.025 3.825 -8.222 1.00 0.37 H new ATOM 0 HB THR A 51 1.438 3.604 -9.997 1.00 0.47 H new ATOM 0 HG1 THR A 51 0.539 5.543 -10.964 1.00 0.61 H new ATOM 0 HG21 THR A 51 -0.191 3.448 -11.844 1.00 0.63 H new ATOM 0 HG22 THR A 51 -0.374 2.105 -10.689 1.00 0.63 H new ATOM 0 HG23 THR A 51 -1.523 3.464 -10.664 1.00 0.63 H new ATOM 741 N ILE A 52 -0.916 1.354 -8.024 1.00 0.41 N ATOM 742 CA ILE A 52 -0.892 -0.088 -7.819 1.00 0.47 C ATOM 743 C ILE A 52 -1.795 -0.788 -8.828 1.00 0.56 C ATOM 744 O ILE A 52 -2.973 -0.457 -8.952 1.00 0.63 O ATOM 745 CB ILE A 52 -1.342 -0.460 -6.391 1.00 0.55 C ATOM 746 CG1 ILE A 52 -0.421 0.195 -5.357 1.00 1.02 C ATOM 747 CG2 ILE A 52 -1.357 -1.971 -6.220 1.00 1.10 C ATOM 748 CD1 ILE A 52 -0.880 0.007 -3.926 1.00 1.76 C ATOM 0 H ILE A 52 -1.852 1.760 -8.043 1.00 0.41 H new ATOM 0 HA ILE A 52 0.137 -0.419 -7.959 1.00 0.47 H new ATOM 0 HB ILE A 52 -2.354 -0.088 -6.233 1.00 0.55 H new ATOM 0 HG12 ILE A 52 0.582 -0.217 -5.464 1.00 1.02 H new ATOM 0 HG13 ILE A 52 -0.352 1.262 -5.570 1.00 1.02 H new ATOM 0 HG21 ILE A 52 -1.676 -2.219 -5.208 1.00 1.10 H new ATOM 0 HG22 ILE A 52 -2.049 -2.411 -6.937 1.00 1.10 H new ATOM 0 HG23 ILE A 52 -0.356 -2.367 -6.392 1.00 1.10 H new ATOM 0 HD11 ILE A 52 -0.178 0.498 -3.251 1.00 1.76 H new ATOM 0 HD12 ILE A 52 -1.870 0.445 -3.801 1.00 1.76 H new ATOM 0 HD13 ILE A 52 -0.922 -1.057 -3.694 1.00 1.76 H new ATOM 752 N THR A 53 -1.241 -1.761 -9.545 1.00 0.63 N ATOM 753 CA THR A 53 -2.006 -2.492 -10.547 1.00 0.76 C ATOM 754 C THR A 53 -2.126 -3.973 -10.199 1.00 0.81 C ATOM 755 O THR A 53 -1.135 -4.630 -9.881 1.00 0.80 O ATOM 756 CB THR A 53 -1.369 -2.355 -11.944 1.00 0.85 C ATOM 757 OG1 THR A 53 -1.194 -0.971 -12.270 1.00 0.87 O ATOM 758 CG2 THR A 53 -2.233 -3.022 -13.005 1.00 1.00 C ATOM 0 H THR A 53 -0.270 -2.060 -9.451 1.00 0.63 H new ATOM 0 HA THR A 53 -3.003 -2.051 -10.558 1.00 0.76 H new ATOM 0 HB THR A 53 -0.399 -2.851 -11.923 1.00 0.85 H new ATOM 0 HG1 THR A 53 -0.787 -0.893 -13.158 1.00 0.87 H new ATOM 0 HG21 THR A 53 -1.761 -2.911 -13.981 1.00 1.00 H new ATOM 0 HG22 THR A 53 -2.341 -4.081 -12.773 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.216 -2.552 -13.022 1.00 1.00 H new ATOM 763 N TYR A 54 -3.352 -4.488 -10.263 1.00 0.93 N ATOM 764 CA TYR A 54 -3.613 -5.892 -9.970 1.00 1.04 C ATOM 765 C TYR A 54 -4.243 -6.583 -11.176 1.00 1.18 C ATOM 766 O TYR A 54 -5.402 -6.331 -11.509 1.00 1.53 O ATOM 767 CB TYR A 54 -4.537 -6.028 -8.758 1.00 1.11 C ATOM 768 CG TYR A 54 -3.895 -5.627 -7.448 1.00 1.63 C ATOM 769 CD1 TYR A 54 -2.769 -6.288 -6.973 1.00 1.53 C ATOM 770 CD2 TYR A 54 -4.419 -4.591 -6.685 1.00 2.57 C ATOM 771 CE1 TYR A 54 -2.184 -5.928 -5.775 1.00 2.31 C ATOM 772 CE2 TYR A 54 -3.838 -4.226 -5.485 1.00 3.42 C ATOM 773 CZ TYR A 54 -2.721 -4.897 -5.035 1.00 3.28 C ATOM 774 OH TYR A 54 -2.141 -4.536 -3.840 1.00 4.18 O ATOM 0 H TYR A 54 -4.181 -3.951 -10.516 1.00 0.93 H new ATOM 0 HA TYR A 54 -2.661 -6.371 -9.744 1.00 1.04 H new ATOM 0 HB2 TYR A 54 -5.424 -5.415 -8.919 1.00 1.11 H new ATOM 0 HB3 TYR A 54 -4.874 -7.062 -8.685 1.00 1.11 H new ATOM 0 HD1 TYR A 54 -2.344 -7.096 -7.550 1.00 1.53 H new ATOM 0 HD2 TYR A 54 -5.294 -4.063 -7.035 1.00 2.57 H new ATOM 0 HE1 TYR A 54 -1.309 -6.452 -5.420 1.00 2.31 H new ATOM 0 HE2 TYR A 54 -4.257 -3.419 -4.903 1.00 3.42 H new ATOM 0 HH TYR A 54 -2.480 -3.659 -3.563 1.00 4.18 H new ATOM 784 N GLY A 55 -3.478 -7.455 -11.824 1.00 1.09 N ATOM 785 CA GLY A 55 -3.984 -8.166 -12.985 1.00 1.20 C ATOM 786 C GLY A 55 -4.242 -7.248 -14.166 1.00 1.22 C ATOM 787 O GLY A 55 -3.391 -7.101 -15.042 1.00 2.00 O ATOM 0 H GLY A 55 -2.518 -7.682 -11.567 1.00 1.09 H new ATOM 0 HA2 GLY A 55 -3.268 -8.934 -13.277 1.00 1.20 H new ATOM 0 HA3 GLY A 55 -4.909 -8.677 -12.718 1.00 1.20 H new ATOM 791 N SER A 56 -5.422 -6.631 -14.188 1.00 0.89 N ATOM 792 CA SER A 56 -5.790 -5.726 -15.272 1.00 1.23 C ATOM 793 C SER A 56 -6.474 -4.472 -14.733 1.00 1.14 C ATOM 794 O SER A 56 -7.158 -3.761 -15.470 1.00 1.30 O ATOM 795 CB SER A 56 -6.715 -6.438 -16.261 1.00 1.66 C ATOM 796 OG SER A 56 -6.091 -7.587 -16.809 1.00 2.20 O ATOM 0 H SER A 56 -6.137 -6.742 -13.469 1.00 0.89 H new ATOM 0 HA SER A 56 -4.877 -5.425 -15.785 1.00 1.23 H new ATOM 0 HB2 SER A 56 -7.637 -6.727 -15.757 1.00 1.66 H new ATOM 0 HB3 SER A 56 -6.991 -5.753 -17.063 1.00 1.66 H new ATOM 0 HG SER A 56 -6.704 -8.024 -17.436 1.00 2.20 H new ATOM 802 N LYS A 57 -6.282 -4.201 -13.444 1.00 0.92 N ATOM 803 CA LYS A 57 -6.882 -3.033 -12.808 1.00 0.86 C ATOM 804 C LYS A 57 -5.814 -2.051 -12.343 1.00 0.77 C ATOM 805 O LYS A 57 -4.926 -2.409 -11.569 1.00 0.77 O ATOM 806 CB LYS A 57 -7.741 -3.462 -11.617 1.00 0.89 C ATOM 807 CG LYS A 57 -8.254 -2.301 -10.775 1.00 0.91 C ATOM 808 CD LYS A 57 -9.184 -2.783 -9.674 1.00 1.02 C ATOM 809 CE LYS A 57 -8.445 -3.616 -8.638 1.00 1.79 C ATOM 810 NZ LYS A 57 -7.350 -2.848 -7.982 1.00 2.51 N ATOM 0 H LYS A 57 -5.715 -4.775 -12.820 1.00 0.92 H new ATOM 0 HA LYS A 57 -7.510 -2.535 -13.547 1.00 0.86 H new ATOM 0 HB2 LYS A 57 -8.592 -4.036 -11.984 1.00 0.89 H new ATOM 0 HB3 LYS A 57 -7.157 -4.128 -10.982 1.00 0.89 H new ATOM 0 HG2 LYS A 57 -7.411 -1.769 -10.334 1.00 0.91 H new ATOM 0 HG3 LYS A 57 -8.780 -1.591 -11.413 1.00 0.91 H new ATOM 0 HD2 LYS A 57 -9.648 -1.925 -9.188 1.00 1.02 H new ATOM 0 HD3 LYS A 57 -9.989 -3.375 -10.110 1.00 1.02 H new ATOM 0 HE2 LYS A 57 -9.149 -3.961 -7.881 1.00 1.79 H new ATOM 0 HE3 LYS A 57 -8.030 -4.503 -9.116 1.00 1.79 H new ATOM 0 HZ1 LYS A 57 -6.905 -3.435 -7.248 1.00 2.51 H new ATOM 0 HZ2 LYS A 57 -6.638 -2.583 -8.692 1.00 2.51 H new ATOM 0 HZ3 LYS A 57 -7.741 -1.988 -7.547 1.00 2.51 H new ATOM 824 N VAL A 58 -5.911 -0.811 -12.809 1.00 0.75 N ATOM 825 CA VAL A 58 -4.955 0.222 -12.430 1.00 0.70 C ATOM 826 C VAL A 58 -5.528 1.111 -11.330 1.00 0.63 C ATOM 827 O VAL A 58 -6.624 1.655 -11.464 1.00 0.66 O ATOM 828 CB VAL A 58 -4.559 1.093 -13.640 1.00 0.76 C ATOM 829 CG1 VAL A 58 -3.621 2.214 -13.213 1.00 1.38 C ATOM 830 CG2 VAL A 58 -3.916 0.237 -14.722 1.00 1.31 C ATOM 0 H VAL A 58 -6.641 -0.497 -13.449 1.00 0.75 H new ATOM 0 HA VAL A 58 -4.064 -0.283 -12.058 1.00 0.70 H new ATOM 0 HB VAL A 58 -5.463 1.545 -14.049 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -3.354 2.816 -14.082 1.00 1.38 H new ATOM 0 HG12 VAL A 58 -4.118 2.843 -12.474 1.00 1.38 H new ATOM 0 HG13 VAL A 58 -2.718 1.787 -12.777 1.00 1.38 H new ATOM 0 HG21 VAL A 58 -3.642 0.866 -15.569 1.00 1.31 H new ATOM 0 HG22 VAL A 58 -3.023 -0.243 -14.323 1.00 1.31 H new ATOM 0 HG23 VAL A 58 -4.622 -0.526 -15.050 1.00 1.31 H new ATOM 834 N ILE A 59 -4.775 1.251 -10.243 1.00 0.59 N ATOM 835 CA ILE A 59 -5.204 2.066 -9.114 1.00 0.56 C ATOM 836 C ILE A 59 -4.269 3.251 -8.908 1.00 0.50 C ATOM 837 O ILE A 59 -3.083 3.080 -8.636 1.00 0.48 O ATOM 838 CB ILE A 59 -5.268 1.235 -7.815 1.00 0.62 C ATOM 839 CG1 ILE A 59 -6.186 0.022 -8.001 1.00 0.89 C ATOM 840 CG2 ILE A 59 -5.742 2.095 -6.653 1.00 0.79 C ATOM 841 CD1 ILE A 59 -7.610 0.379 -8.373 1.00 1.60 C ATOM 0 H ILE A 59 -3.864 0.809 -10.121 1.00 0.59 H new ATOM 0 HA ILE A 59 -6.203 2.435 -9.347 1.00 0.56 H new ATOM 0 HB ILE A 59 -4.265 0.875 -7.585 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -5.769 -0.621 -8.776 1.00 0.89 H new ATOM 0 HG13 ILE A 59 -6.197 -0.558 -7.078 1.00 0.89 H new ATOM 0 HG21 ILE A 59 -5.781 1.492 -5.746 1.00 0.79 H new ATOM 0 HG22 ILE A 59 -5.050 2.924 -6.508 1.00 0.79 H new ATOM 0 HG23 ILE A 59 -6.736 2.486 -6.871 1.00 0.79 H new ATOM 0 HD11 ILE A 59 -8.196 -0.533 -8.487 1.00 1.60 H new ATOM 0 HD12 ILE A 59 -8.047 0.996 -7.588 1.00 1.60 H new ATOM 0 HD13 ILE A 59 -7.613 0.932 -9.313 1.00 1.60 H new ATOM 845 N HIS A 60 -4.815 4.454 -9.044 1.00 0.50 N ATOM 846 CA HIS A 60 -4.030 5.675 -8.874 1.00 0.48 C ATOM 847 C HIS A 60 -4.365 6.370 -7.555 1.00 0.49 C ATOM 848 O HIS A 60 -5.527 6.429 -7.152 1.00 0.57 O ATOM 849 CB HIS A 60 -4.272 6.632 -10.044 1.00 0.55 C ATOM 850 CG HIS A 60 -5.717 6.953 -10.265 1.00 1.14 C ATOM 851 ND1 HIS A 60 -6.372 7.972 -9.605 1.00 1.39 N ATOM 852 CD2 HIS A 60 -6.636 6.386 -11.082 1.00 2.15 C ATOM 853 CE1 HIS A 60 -7.630 8.015 -10.006 1.00 2.24 C ATOM 854 NE2 HIS A 60 -7.816 7.066 -10.904 1.00 2.74 N ATOM 0 H HIS A 60 -5.797 4.612 -9.271 1.00 0.50 H new ATOM 0 HA HIS A 60 -2.977 5.393 -8.854 1.00 0.48 H new ATOM 0 HB2 HIS A 60 -3.726 7.558 -9.864 1.00 0.55 H new ATOM 0 HB3 HIS A 60 -3.863 6.192 -10.953 1.00 0.55 H new ATOM 0 HD2 HIS A 60 -6.472 5.553 -11.750 1.00 2.15 H new ATOM 0 HE1 HIS A 60 -8.380 8.710 -9.658 1.00 2.24 H new ATOM 0 HE2 HIS A 60 -8.693 6.870 -11.387 1.00 2.74 H new ATOM 863 N ASN A 61 -3.337 6.894 -6.887 1.00 0.45 N ATOM 864 CA ASN A 61 -3.519 7.586 -5.614 1.00 0.50 C ATOM 865 C ASN A 61 -2.496 8.707 -5.452 1.00 0.47 C ATOM 866 O ASN A 61 -1.435 8.686 -6.075 1.00 0.69 O ATOM 867 CB ASN A 61 -3.395 6.597 -4.453 1.00 0.58 C ATOM 868 CG ASN A 61 -4.460 5.519 -4.496 1.00 0.86 C ATOM 869 OD1 ASN A 61 -4.261 4.457 -5.085 1.00 1.79 O ATOM 870 ND2 ASN A 61 -5.600 5.789 -3.872 1.00 1.01 N ATOM 0 H ASN A 61 -2.370 6.852 -7.208 1.00 0.45 H new ATOM 0 HA ASN A 61 -4.517 8.025 -5.606 1.00 0.50 H new ATOM 0 HB2 ASN A 61 -2.410 6.132 -4.479 1.00 0.58 H new ATOM 0 HB3 ASN A 61 -3.467 7.138 -3.509 1.00 0.58 H new ATOM 0 HD21 ASN A 61 -6.354 5.102 -3.868 1.00 1.01 H new ATOM 0 HD22 ASN A 61 -5.722 6.683 -3.396 1.00 1.01 H new ATOM 875 N GLU A 62 -2.827 9.690 -4.618 1.00 0.49 N ATOM 876 CA GLU A 62 -1.938 10.824 -4.372 1.00 0.50 C ATOM 877 C GLU A 62 -2.053 11.302 -2.925 1.00 0.49 C ATOM 878 O GLU A 62 -3.158 11.522 -2.427 1.00 0.57 O ATOM 879 CB GLU A 62 -2.274 11.970 -5.327 1.00 0.69 C ATOM 880 CG GLU A 62 -1.370 13.181 -5.174 1.00 1.45 C ATOM 881 CD GLU A 62 -1.781 14.327 -6.074 1.00 1.63 C ATOM 882 OE1 GLU A 62 -1.669 14.184 -7.310 1.00 2.01 O ATOM 883 OE2 GLU A 62 -2.218 15.371 -5.544 1.00 1.80 O ATOM 0 H GLU A 62 -3.705 9.725 -4.100 1.00 0.49 H new ATOM 0 HA GLU A 62 -0.912 10.499 -4.547 1.00 0.50 H new ATOM 0 HB2 GLU A 62 -2.209 11.607 -6.353 1.00 0.69 H new ATOM 0 HB3 GLU A 62 -3.307 12.276 -5.163 1.00 0.69 H new ATOM 0 HG2 GLU A 62 -1.386 13.514 -4.136 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -0.343 12.895 -5.401 1.00 1.45 H new ATOM 890 N PHE A 63 -0.913 11.466 -2.252 1.00 0.44 N ATOM 891 CA PHE A 63 -0.914 11.920 -0.865 1.00 0.45 C ATOM 892 C PHE A 63 0.122 13.017 -0.640 1.00 0.44 C ATOM 893 O PHE A 63 1.118 13.103 -1.353 1.00 0.45 O ATOM 894 CB PHE A 63 -0.636 10.760 0.098 1.00 0.49 C ATOM 895 CG PHE A 63 -0.757 9.396 -0.520 1.00 0.70 C ATOM 896 CD1 PHE A 63 -2.000 8.845 -0.782 1.00 1.10 C ATOM 897 CD2 PHE A 63 0.376 8.662 -0.828 1.00 0.98 C ATOM 898 CE1 PHE A 63 -2.111 7.586 -1.343 1.00 1.54 C ATOM 899 CE2 PHE A 63 0.272 7.404 -1.389 1.00 1.45 C ATOM 900 CZ PHE A 63 -0.973 6.866 -1.648 1.00 1.66 C ATOM 0 H PHE A 63 0.013 11.293 -2.642 1.00 0.44 H new ATOM 0 HA PHE A 63 -1.907 12.322 -0.664 1.00 0.45 H new ATOM 0 HB2 PHE A 63 0.369 10.874 0.503 1.00 0.49 H new ATOM 0 HB3 PHE A 63 -1.328 10.827 0.938 1.00 0.49 H new ATOM 0 HD1 PHE A 63 -2.893 9.405 -0.546 1.00 1.10 H new ATOM 0 HD2 PHE A 63 1.352 9.078 -0.627 1.00 0.98 H new ATOM 0 HE1 PHE A 63 -3.086 7.167 -1.542 1.00 1.54 H new ATOM 0 HE2 PHE A 63 1.164 6.842 -1.625 1.00 1.45 H new ATOM 0 HZ PHE A 63 -1.057 5.883 -2.089 1.00 1.66 H new ATOM 910 N THR A 64 -0.142 13.869 0.343 1.00 0.47 N ATOM 911 CA THR A 64 0.775 14.944 0.697 1.00 0.49 C ATOM 912 C THR A 64 1.377 14.666 2.070 1.00 0.49 C ATOM 913 O THR A 64 0.656 14.620 3.067 1.00 0.55 O ATOM 914 CB THR A 64 0.065 16.311 0.718 1.00 0.57 C ATOM 915 OG1 THR A 64 -0.569 16.553 -0.544 1.00 0.62 O ATOM 916 CG2 THR A 64 1.048 17.433 1.017 1.00 0.62 C ATOM 0 H THR A 64 -0.988 13.835 0.911 1.00 0.47 H new ATOM 0 HA THR A 64 1.559 14.981 -0.059 1.00 0.49 H new ATOM 0 HB THR A 64 -0.687 16.289 1.507 1.00 0.57 H new ATOM 0 HG1 THR A 64 -1.020 17.423 -0.522 1.00 0.62 H new ATOM 0 HG21 THR A 64 0.520 18.387 1.026 1.00 0.62 H new ATOM 0 HG22 THR A 64 1.508 17.264 1.991 1.00 0.62 H new ATOM 0 HG23 THR A 64 1.821 17.453 0.249 1.00 0.62 H new ATOM 921 N LEU A 65 2.690 14.466 2.120 1.00 0.47 N ATOM 922 CA LEU A 65 3.369 14.172 3.378 1.00 0.50 C ATOM 923 C LEU A 65 2.959 15.143 4.482 1.00 0.53 C ATOM 924 O LEU A 65 2.679 16.315 4.224 1.00 0.99 O ATOM 925 CB LEU A 65 4.890 14.179 3.187 1.00 0.72 C ATOM 926 CG LEU A 65 5.466 15.379 2.434 1.00 1.05 C ATOM 927 CD1 LEU A 65 5.560 16.598 3.338 1.00 1.57 C ATOM 928 CD2 LEU A 65 6.833 15.032 1.867 1.00 1.42 C ATOM 0 H LEU A 65 3.304 14.502 1.306 1.00 0.47 H new ATOM 0 HA LEU A 65 3.063 13.174 3.690 1.00 0.50 H new ATOM 0 HB2 LEU A 65 5.360 14.132 4.169 1.00 0.72 H new ATOM 0 HB3 LEU A 65 5.174 13.271 2.655 1.00 0.72 H new ATOM 0 HG LEU A 65 4.793 15.622 1.612 1.00 1.05 H new ATOM 0 HD11 LEU A 65 5.973 17.436 2.777 1.00 1.57 H new ATOM 0 HD12 LEU A 65 4.566 16.859 3.701 1.00 1.57 H new ATOM 0 HD13 LEU A 65 6.209 16.374 4.185 1.00 1.57 H new ATOM 0 HD21 LEU A 65 7.235 15.893 1.333 1.00 1.42 H new ATOM 0 HD22 LEU A 65 7.507 14.763 2.681 1.00 1.42 H new ATOM 0 HD23 LEU A 65 6.739 14.190 1.181 1.00 1.42 H new ATOM 934 N GLY A 66 2.913 14.638 5.713 1.00 0.46 N ATOM 935 CA GLY A 66 2.538 15.460 6.850 1.00 0.60 C ATOM 936 C GLY A 66 1.182 16.120 6.682 1.00 0.61 C ATOM 937 O GLY A 66 0.925 17.178 7.259 1.00 0.80 O ATOM 0 H GLY A 66 3.130 13.668 5.943 1.00 0.46 H new ATOM 0 HA2 GLY A 66 2.527 14.844 7.749 1.00 0.60 H new ATOM 0 HA3 GLY A 66 3.295 16.230 7.000 1.00 0.60 H new ATOM 941 N GLU A 67 0.309 15.497 5.894 1.00 0.54 N ATOM 942 CA GLU A 67 -1.029 16.032 5.658 1.00 0.57 C ATOM 943 C GLU A 67 -2.055 14.907 5.544 1.00 0.55 C ATOM 944 O GLU A 67 -1.741 13.813 5.074 1.00 0.55 O ATOM 945 CB GLU A 67 -1.047 16.885 4.388 1.00 0.60 C ATOM 946 CG GLU A 67 -0.330 18.217 4.535 1.00 1.30 C ATOM 947 CD GLU A 67 -1.059 19.172 5.463 1.00 1.85 C ATOM 948 OE1 GLU A 67 -1.990 19.859 4.995 1.00 2.14 O ATOM 949 OE2 GLU A 67 -0.697 19.233 6.657 1.00 2.66 O ATOM 0 H GLU A 67 0.504 14.622 5.408 1.00 0.54 H new ATOM 0 HA GLU A 67 -1.296 16.658 6.510 1.00 0.57 H new ATOM 0 HB2 GLU A 67 -0.586 16.322 3.577 1.00 0.60 H new ATOM 0 HB3 GLU A 67 -2.082 17.070 4.100 1.00 0.60 H new ATOM 0 HG2 GLU A 67 0.677 18.044 4.915 1.00 1.30 H new ATOM 0 HG3 GLU A 67 -0.225 18.679 3.553 1.00 1.30 H new ATOM 956 N GLU A 68 -3.280 15.186 5.976 1.00 0.60 N ATOM 957 CA GLU A 68 -4.358 14.201 5.927 1.00 0.61 C ATOM 958 C GLU A 68 -5.091 14.264 4.589 1.00 0.63 C ATOM 959 O GLU A 68 -5.590 15.316 4.192 1.00 0.71 O ATOM 960 CB GLU A 68 -5.342 14.439 7.073 1.00 0.71 C ATOM 961 CG GLU A 68 -6.442 13.393 7.159 1.00 0.74 C ATOM 962 CD GLU A 68 -7.399 13.646 8.307 1.00 1.01 C ATOM 963 OE1 GLU A 68 -7.099 13.204 9.437 1.00 1.32 O ATOM 964 OE2 GLU A 68 -8.445 14.285 8.077 1.00 1.05 O ATOM 0 H GLU A 68 -3.553 16.088 6.365 1.00 0.60 H new ATOM 0 HA GLU A 68 -3.919 13.209 6.033 1.00 0.61 H new ATOM 0 HB2 GLU A 68 -4.793 14.455 8.015 1.00 0.71 H new ATOM 0 HB3 GLU A 68 -5.796 15.422 6.952 1.00 0.71 H new ATOM 0 HG2 GLU A 68 -6.999 13.380 6.222 1.00 0.74 H new ATOM 0 HG3 GLU A 68 -5.992 12.407 7.276 1.00 0.74 H new ATOM 971 N CYS A 69 -5.155 13.126 3.902 1.00 0.61 N ATOM 972 CA CYS A 69 -5.825 13.042 2.609 1.00 0.67 C ATOM 973 C CYS A 69 -6.880 11.939 2.610 1.00 0.67 C ATOM 974 O CYS A 69 -6.818 11.011 3.417 1.00 0.64 O ATOM 975 CB CYS A 69 -4.804 12.787 1.498 1.00 0.73 C ATOM 976 SG CYS A 69 -3.781 11.318 1.758 1.00 1.86 S ATOM 0 H CYS A 69 -4.749 12.247 4.222 1.00 0.61 H new ATOM 0 HA CYS A 69 -6.323 13.994 2.425 1.00 0.67 H new ATOM 0 HB2 CYS A 69 -5.332 12.685 0.550 1.00 0.73 H new ATOM 0 HB3 CYS A 69 -4.154 13.658 1.409 1.00 0.73 H new ATOM 0 HG CYS A 69 -3.875 10.937 2.998 1.00 1.86 H new ATOM 982 N GLU A 70 -7.849 12.047 1.704 1.00 0.75 N ATOM 983 CA GLU A 70 -8.917 11.057 1.601 1.00 0.77 C ATOM 984 C GLU A 70 -8.590 10.016 0.535 1.00 0.81 C ATOM 985 O GLU A 70 -8.286 10.359 -0.608 1.00 0.87 O ATOM 986 CB GLU A 70 -10.248 11.736 1.272 1.00 0.84 C ATOM 987 CG GLU A 70 -11.419 10.769 1.191 1.00 0.91 C ATOM 988 CD GLU A 70 -12.707 11.447 0.770 1.00 1.22 C ATOM 989 OE1 GLU A 70 -13.442 11.930 1.656 1.00 1.25 O ATOM 990 OE2 GLU A 70 -12.981 11.496 -0.447 1.00 1.71 O ATOM 0 H GLU A 70 -7.916 12.810 1.031 1.00 0.75 H new ATOM 0 HA GLU A 70 -9.004 10.555 2.565 1.00 0.77 H new ATOM 0 HB2 GLU A 70 -10.460 12.488 2.032 1.00 0.84 H new ATOM 0 HB3 GLU A 70 -10.154 12.261 0.321 1.00 0.84 H new ATOM 0 HG2 GLU A 70 -11.182 9.976 0.482 1.00 0.91 H new ATOM 0 HG3 GLU A 70 -11.563 10.296 2.162 1.00 0.91 H new ATOM 997 N LEU A 71 -8.658 8.745 0.916 1.00 0.83 N ATOM 998 CA LEU A 71 -8.364 7.651 -0.003 1.00 0.91 C ATOM 999 C LEU A 71 -9.580 6.759 -0.207 1.00 0.94 C ATOM 1000 O LEU A 71 -10.350 6.513 0.723 1.00 0.96 O ATOM 1001 CB LEU A 71 -7.187 6.815 0.512 1.00 0.99 C ATOM 1002 CG LEU A 71 -5.838 7.543 0.592 1.00 1.28 C ATOM 1003 CD1 LEU A 71 -5.538 8.279 -0.706 1.00 1.90 C ATOM 1004 CD2 LEU A 71 -5.808 8.502 1.773 1.00 1.91 C ATOM 0 H LEU A 71 -8.915 8.446 1.857 1.00 0.83 H new ATOM 0 HA LEU A 71 -8.095 8.091 -0.963 1.00 0.91 H new ATOM 0 HB2 LEU A 71 -7.437 6.442 1.505 1.00 0.99 H new ATOM 0 HB3 LEU A 71 -7.072 5.946 -0.135 1.00 0.99 H new ATOM 0 HG LEU A 71 -5.062 6.793 0.743 1.00 1.28 H new ATOM 0 HD11 LEU A 71 -4.577 8.786 -0.623 1.00 1.90 H new ATOM 0 HD12 LEU A 71 -5.502 7.565 -1.529 1.00 1.90 H new ATOM 0 HD13 LEU A 71 -6.320 9.013 -0.897 1.00 1.90 H new ATOM 0 HD21 LEU A 71 -4.842 9.006 1.808 1.00 1.91 H new ATOM 0 HD22 LEU A 71 -6.600 9.243 1.660 1.00 1.91 H new ATOM 0 HD23 LEU A 71 -5.961 7.945 2.698 1.00 1.91 H new ATOM 1010 N GLU A 72 -9.741 6.283 -1.433 1.00 0.99 N ATOM 1011 CA GLU A 72 -10.853 5.412 -1.781 1.00 1.05 C ATOM 1012 C GLU A 72 -10.513 3.954 -1.478 1.00 1.11 C ATOM 1013 O GLU A 72 -9.491 3.437 -1.931 1.00 1.19 O ATOM 1014 CB GLU A 72 -11.205 5.588 -3.263 1.00 1.13 C ATOM 1015 CG GLU A 72 -11.733 4.329 -3.924 1.00 1.52 C ATOM 1016 CD GLU A 72 -12.097 4.543 -5.381 1.00 1.73 C ATOM 1017 OE1 GLU A 72 -13.254 4.928 -5.652 1.00 2.11 O ATOM 1018 OE2 GLU A 72 -11.227 4.326 -6.249 1.00 1.82 O ATOM 0 H GLU A 72 -9.110 6.488 -2.208 1.00 0.99 H new ATOM 0 HA GLU A 72 -11.718 5.687 -1.177 1.00 1.05 H new ATOM 0 HB2 GLU A 72 -11.952 6.377 -3.358 1.00 1.13 H new ATOM 0 HB3 GLU A 72 -10.317 5.923 -3.800 1.00 1.13 H new ATOM 0 HG2 GLU A 72 -10.981 3.543 -3.853 1.00 1.52 H new ATOM 0 HG3 GLU A 72 -12.611 3.979 -3.382 1.00 1.52 H new ATOM 1025 N THR A 73 -11.377 3.297 -0.708 1.00 1.12 N ATOM 1026 CA THR A 73 -11.169 1.901 -0.343 1.00 1.22 C ATOM 1027 C THR A 73 -11.599 0.967 -1.469 1.00 1.35 C ATOM 1028 O THR A 73 -12.123 1.409 -2.491 1.00 1.38 O ATOM 1029 CB THR A 73 -11.945 1.535 0.937 1.00 1.24 C ATOM 1030 OG1 THR A 73 -13.349 1.735 0.734 1.00 1.76 O ATOM 1031 CG2 THR A 73 -11.473 2.375 2.114 1.00 1.63 C ATOM 0 H THR A 73 -12.227 3.710 -0.325 1.00 1.12 H new ATOM 0 HA THR A 73 -10.101 1.777 -0.161 1.00 1.22 H new ATOM 0 HB THR A 73 -11.757 0.485 1.161 1.00 1.24 H new ATOM 0 HG1 THR A 73 -13.577 2.669 0.924 1.00 1.76 H new ATOM 0 HG21 THR A 73 -12.035 2.099 3.006 1.00 1.63 H new ATOM 0 HG22 THR A 73 -10.411 2.198 2.285 1.00 1.63 H new ATOM 0 HG23 THR A 73 -11.634 3.431 1.896 1.00 1.63 H new ATOM 1036 N MET A 74 -11.373 -0.329 -1.272 1.00 1.45 N ATOM 1037 CA MET A 74 -11.736 -1.330 -2.270 1.00 1.60 C ATOM 1038 C MET A 74 -13.252 -1.473 -2.371 1.00 1.65 C ATOM 1039 O MET A 74 -13.780 -1.867 -3.411 1.00 1.81 O ATOM 1040 CB MET A 74 -11.106 -2.680 -1.922 1.00 1.70 C ATOM 1041 CG MET A 74 -11.579 -3.253 -0.595 1.00 2.32 C ATOM 1042 SD MET A 74 -10.817 -4.842 -0.214 1.00 3.10 S ATOM 1043 CE MET A 74 -11.594 -5.225 1.354 1.00 3.79 C ATOM 0 H MET A 74 -10.940 -0.710 -0.431 1.00 1.45 H new ATOM 0 HA MET A 74 -11.356 -0.998 -3.236 1.00 1.60 H new ATOM 0 HB2 MET A 74 -11.332 -3.392 -2.716 1.00 1.70 H new ATOM 0 HB3 MET A 74 -10.022 -2.568 -1.893 1.00 1.70 H new ATOM 0 HG2 MET A 74 -11.353 -2.546 0.203 1.00 2.32 H new ATOM 0 HG3 MET A 74 -12.662 -3.371 -0.620 1.00 2.32 H new ATOM 0 HE1 MET A 74 -11.184 -6.156 1.745 1.00 3.79 H new ATOM 0 HE2 MET A 74 -11.402 -4.418 2.062 1.00 3.79 H new ATOM 0 HE3 MET A 74 -12.669 -5.334 1.210 1.00 3.79 H new ATOM 1053 N THR A 75 -13.944 -1.150 -1.283 1.00 1.57 N ATOM 1054 CA THR A 75 -15.398 -1.243 -1.245 1.00 1.67 C ATOM 1055 C THR A 75 -16.047 0.000 -1.843 1.00 1.56 C ATOM 1056 O THR A 75 -16.987 -0.097 -2.632 1.00 1.74 O ATOM 1057 CB THR A 75 -15.911 -1.429 0.197 1.00 1.89 C ATOM 1058 OG1 THR A 75 -15.712 -0.223 0.946 1.00 2.23 O ATOM 1059 CG2 THR A 75 -15.191 -2.579 0.883 1.00 2.00 C ATOM 0 H THR A 75 -13.520 -0.821 -0.415 1.00 1.57 H new ATOM 0 HA THR A 75 -15.673 -2.115 -1.839 1.00 1.67 H new ATOM 0 HB THR A 75 -16.975 -1.660 0.154 1.00 1.89 H new ATOM 0 HG1 THR A 75 -14.810 0.122 0.777 1.00 2.23 H new ATOM 0 HG21 THR A 75 -15.570 -2.691 1.899 1.00 2.00 H new ATOM 0 HG22 THR A 75 -15.365 -3.500 0.327 1.00 2.00 H new ATOM 0 HG23 THR A 75 -14.121 -2.371 0.915 1.00 2.00 H new ATOM 1064 N GLY A 76 -15.539 1.166 -1.460 1.00 1.40 N ATOM 1065 CA GLY A 76 -16.080 2.415 -1.963 1.00 1.47 C ATOM 1066 C GLY A 76 -16.255 3.446 -0.866 1.00 1.35 C ATOM 1067 O GLY A 76 -16.713 4.561 -1.119 1.00 1.39 O ATOM 0 H GLY A 76 -14.761 1.269 -0.809 1.00 1.40 H new ATOM 0 HA2 GLY A 76 -15.417 2.813 -2.731 1.00 1.47 H new ATOM 0 HA3 GLY A 76 -17.042 2.227 -2.439 1.00 1.47 H new ATOM 1071 N GLU A 77 -15.888 3.073 0.356 1.00 1.28 N ATOM 1072 CA GLU A 77 -16.002 3.969 1.499 1.00 1.22 C ATOM 1073 C GLU A 77 -14.843 4.960 1.537 1.00 1.12 C ATOM 1074 O GLU A 77 -13.705 4.613 1.222 1.00 1.11 O ATOM 1075 CB GLU A 77 -16.053 3.169 2.795 1.00 1.28 C ATOM 1076 CG GLU A 77 -15.973 4.023 4.050 1.00 1.30 C ATOM 1077 CD GLU A 77 -16.192 3.221 5.316 1.00 1.60 C ATOM 1078 OE1 GLU A 77 -17.358 3.099 5.749 1.00 1.66 O ATOM 1079 OE2 GLU A 77 -15.198 2.714 5.878 1.00 1.94 O ATOM 0 H GLU A 77 -15.508 2.153 0.579 1.00 1.28 H new ATOM 0 HA GLU A 77 -16.928 4.534 1.394 1.00 1.22 H new ATOM 0 HB2 GLU A 77 -16.978 2.592 2.818 1.00 1.28 H new ATOM 0 HB3 GLU A 77 -15.231 2.453 2.801 1.00 1.28 H new ATOM 0 HG2 GLU A 77 -14.997 4.506 4.095 1.00 1.30 H new ATOM 0 HG3 GLU A 77 -16.719 4.816 3.993 1.00 1.30 H new ATOM 1086 N LYS A 78 -15.143 6.195 1.926 1.00 1.12 N ATOM 1087 CA LYS A 78 -14.130 7.241 2.006 1.00 1.06 C ATOM 1088 C LYS A 78 -13.464 7.245 3.377 1.00 0.97 C ATOM 1089 O LYS A 78 -14.123 7.439 4.398 1.00 1.03 O ATOM 1090 CB LYS A 78 -14.757 8.609 1.729 1.00 1.19 C ATOM 1091 CG LYS A 78 -15.443 8.706 0.374 1.00 1.29 C ATOM 1092 CD LYS A 78 -14.468 8.465 -0.767 1.00 1.78 C ATOM 1093 CE LYS A 78 -15.145 8.614 -2.118 1.00 2.39 C ATOM 1094 NZ LYS A 78 -15.720 9.975 -2.304 1.00 2.94 N ATOM 0 H LYS A 78 -16.081 6.496 2.191 1.00 1.12 H new ATOM 0 HA LYS A 78 -13.371 7.037 1.251 1.00 1.06 H new ATOM 0 HB2 LYS A 78 -15.484 8.830 2.511 1.00 1.19 H new ATOM 0 HB3 LYS A 78 -13.982 9.373 1.789 1.00 1.19 H new ATOM 0 HG2 LYS A 78 -16.252 7.977 0.322 1.00 1.29 H new ATOM 0 HG3 LYS A 78 -15.895 9.692 0.265 1.00 1.29 H new ATOM 0 HD2 LYS A 78 -13.640 9.170 -0.694 1.00 1.78 H new ATOM 0 HD3 LYS A 78 -14.044 7.465 -0.680 1.00 1.78 H new ATOM 0 HE2 LYS A 78 -14.423 8.414 -2.910 1.00 2.39 H new ATOM 0 HE3 LYS A 78 -15.936 7.870 -2.212 1.00 2.39 H new ATOM 0 HZ1 LYS A 78 -15.943 10.123 -3.309 1.00 2.94 H new ATOM 0 HZ2 LYS A 78 -16.589 10.065 -1.740 1.00 2.94 H new ATOM 0 HZ3 LYS A 78 -15.030 10.689 -1.994 1.00 2.94 H new ATOM 1108 N VAL A 79 -12.152 7.030 3.395 1.00 0.89 N ATOM 1109 CA VAL A 79 -11.399 7.008 4.642 1.00 0.86 C ATOM 1110 C VAL A 79 -10.371 8.132 4.687 1.00 0.81 C ATOM 1111 O VAL A 79 -9.864 8.567 3.654 1.00 0.84 O ATOM 1112 CB VAL A 79 -10.681 5.659 4.841 1.00 0.90 C ATOM 1113 CG1 VAL A 79 -11.689 4.529 4.958 1.00 1.06 C ATOM 1114 CG2 VAL A 79 -9.707 5.400 3.700 1.00 1.05 C ATOM 0 H VAL A 79 -11.589 6.869 2.560 1.00 0.89 H new ATOM 0 HA VAL A 79 -12.119 7.150 5.448 1.00 0.86 H new ATOM 0 HB VAL A 79 -10.113 5.704 5.770 1.00 0.90 H new ATOM 0 HG11 VAL A 79 -11.163 3.585 5.098 1.00 1.06 H new ATOM 0 HG12 VAL A 79 -12.342 4.711 5.812 1.00 1.06 H new ATOM 0 HG13 VAL A 79 -12.287 4.479 4.048 1.00 1.06 H new ATOM 0 HG21 VAL A 79 -9.209 4.443 3.857 1.00 1.05 H new ATOM 0 HG22 VAL A 79 -10.251 5.375 2.756 1.00 1.05 H new ATOM 0 HG23 VAL A 79 -8.963 6.196 3.669 1.00 1.05 H new ATOM 1118 N LYS A 80 -10.070 8.598 5.896 1.00 0.79 N ATOM 1119 CA LYS A 80 -9.099 9.670 6.084 1.00 0.76 C ATOM 1120 C LYS A 80 -7.792 9.118 6.639 1.00 0.68 C ATOM 1121 O LYS A 80 -7.788 8.392 7.634 1.00 0.72 O ATOM 1122 CB LYS A 80 -9.661 10.736 7.029 1.00 0.84 C ATOM 1123 CG LYS A 80 -10.971 11.344 6.552 1.00 1.48 C ATOM 1124 CD LYS A 80 -11.493 12.389 7.526 1.00 1.82 C ATOM 1125 CE LYS A 80 -11.900 11.768 8.854 1.00 2.54 C ATOM 1126 NZ LYS A 80 -12.422 12.785 9.808 1.00 3.13 N ATOM 0 H LYS A 80 -10.485 8.249 6.760 1.00 0.79 H new ATOM 0 HA LYS A 80 -8.900 10.126 5.114 1.00 0.76 H new ATOM 0 HB2 LYS A 80 -9.813 10.293 8.013 1.00 0.84 H new ATOM 0 HB3 LYS A 80 -8.924 11.530 7.147 1.00 0.84 H new ATOM 0 HG2 LYS A 80 -10.826 11.800 5.573 1.00 1.48 H new ATOM 0 HG3 LYS A 80 -11.715 10.557 6.430 1.00 1.48 H new ATOM 0 HD2 LYS A 80 -10.724 13.143 7.697 1.00 1.82 H new ATOM 0 HD3 LYS A 80 -12.349 12.901 7.086 1.00 1.82 H new ATOM 0 HE2 LYS A 80 -12.662 11.008 8.681 1.00 2.54 H new ATOM 0 HE3 LYS A 80 -11.041 11.263 9.296 1.00 2.54 H new ATOM 0 HZ1 LYS A 80 -12.688 12.320 10.700 1.00 3.13 H new ATOM 0 HZ2 LYS A 80 -11.686 13.496 9.994 1.00 3.13 H new ATOM 0 HZ3 LYS A 80 -13.257 13.250 9.398 1.00 3.13 H new ATOM 1140 N ALA A 81 -6.685 9.462 5.991 1.00 0.64 N ATOM 1141 CA ALA A 81 -5.378 8.988 6.422 1.00 0.62 C ATOM 1142 C ALA A 81 -4.287 10.019 6.168 1.00 0.58 C ATOM 1143 O ALA A 81 -4.297 10.712 5.153 1.00 0.60 O ATOM 1144 CB ALA A 81 -5.037 7.692 5.710 1.00 0.69 C ATOM 0 H ALA A 81 -6.667 10.065 5.169 1.00 0.64 H new ATOM 0 HA ALA A 81 -5.428 8.816 7.497 1.00 0.62 H new ATOM 0 HB1 ALA A 81 -4.058 7.344 6.038 1.00 0.69 H new ATOM 0 HB2 ALA A 81 -5.788 6.938 5.947 1.00 0.69 H new ATOM 0 HB3 ALA A 81 -5.020 7.862 4.633 1.00 0.69 H new ATOM 1150 N VAL A 82 -3.343 10.107 7.099 1.00 0.58 N ATOM 1151 CA VAL A 82 -2.230 11.036 6.977 1.00 0.56 C ATOM 1152 C VAL A 82 -0.910 10.284 6.837 1.00 0.50 C ATOM 1153 O VAL A 82 -0.539 9.487 7.703 1.00 0.48 O ATOM 1154 CB VAL A 82 -2.147 11.989 8.190 1.00 0.59 C ATOM 1155 CG1 VAL A 82 -2.188 11.207 9.495 1.00 1.40 C ATOM 1156 CG2 VAL A 82 -0.890 12.847 8.118 1.00 1.34 C ATOM 0 H VAL A 82 -3.328 9.543 7.949 1.00 0.58 H new ATOM 0 HA VAL A 82 -2.408 11.630 6.080 1.00 0.56 H new ATOM 0 HB VAL A 82 -3.013 12.650 8.161 1.00 0.59 H new ATOM 0 HG11 VAL A 82 -2.128 11.898 10.336 1.00 1.40 H new ATOM 0 HG12 VAL A 82 -3.120 10.645 9.553 1.00 1.40 H new ATOM 0 HG13 VAL A 82 -1.345 10.517 9.532 1.00 1.40 H new ATOM 0 HG21 VAL A 82 -0.852 13.510 8.982 1.00 1.34 H new ATOM 0 HG22 VAL A 82 -0.010 12.204 8.116 1.00 1.34 H new ATOM 0 HG23 VAL A 82 -0.907 13.442 7.205 1.00 1.34 H new ATOM 1160 N VAL A 83 -0.213 10.528 5.731 1.00 0.50 N ATOM 1161 CA VAL A 83 1.069 9.886 5.485 1.00 0.47 C ATOM 1162 C VAL A 83 2.207 10.813 5.895 1.00 0.45 C ATOM 1163 O VAL A 83 2.314 11.938 5.404 1.00 0.53 O ATOM 1164 CB VAL A 83 1.234 9.481 4.003 1.00 0.55 C ATOM 1165 CG1 VAL A 83 1.085 10.687 3.089 1.00 1.26 C ATOM 1166 CG2 VAL A 83 2.575 8.795 3.782 1.00 1.11 C ATOM 0 H VAL A 83 -0.516 11.165 4.994 1.00 0.50 H new ATOM 0 HA VAL A 83 1.101 8.977 6.086 1.00 0.47 H new ATOM 0 HB VAL A 83 0.443 8.774 3.754 1.00 0.55 H new ATOM 0 HG11 VAL A 83 1.206 10.375 2.052 1.00 1.26 H new ATOM 0 HG12 VAL A 83 0.096 11.125 3.223 1.00 1.26 H new ATOM 0 HG13 VAL A 83 1.846 11.427 3.336 1.00 1.26 H new ATOM 0 HG21 VAL A 83 2.673 8.517 2.733 1.00 1.11 H new ATOM 0 HG22 VAL A 83 3.381 9.476 4.054 1.00 1.11 H new ATOM 0 HG23 VAL A 83 2.632 7.900 4.401 1.00 1.11 H new ATOM 1170 N LYS A 84 3.046 10.342 6.805 1.00 0.41 N ATOM 1171 CA LYS A 84 4.165 11.137 7.289 1.00 0.43 C ATOM 1172 C LYS A 84 5.466 10.348 7.205 1.00 0.42 C ATOM 1173 O LYS A 84 5.493 9.151 7.486 1.00 0.44 O ATOM 1174 CB LYS A 84 3.910 11.569 8.734 1.00 0.48 C ATOM 1175 CG LYS A 84 4.678 12.814 9.145 1.00 0.78 C ATOM 1176 CD LYS A 84 4.716 12.976 10.659 1.00 0.91 C ATOM 1177 CE LYS A 84 3.329 13.213 11.236 1.00 1.51 C ATOM 1178 NZ LYS A 84 2.722 14.474 10.728 1.00 2.11 N ATOM 0 H LYS A 84 2.974 9.414 7.223 1.00 0.41 H new ATOM 0 HA LYS A 84 4.258 12.021 6.659 1.00 0.43 H new ATOM 0 HB2 LYS A 84 2.843 11.751 8.866 1.00 0.48 H new ATOM 0 HB3 LYS A 84 4.179 10.750 9.401 1.00 0.48 H new ATOM 0 HG2 LYS A 84 5.696 12.758 8.759 1.00 0.78 H new ATOM 0 HG3 LYS A 84 4.215 13.693 8.696 1.00 0.78 H new ATOM 0 HD2 LYS A 84 5.149 12.083 11.109 1.00 0.91 H new ATOM 0 HD3 LYS A 84 5.366 13.812 10.919 1.00 0.91 H new ATOM 0 HE2 LYS A 84 2.683 12.372 10.984 1.00 1.51 H new ATOM 0 HE3 LYS A 84 3.391 13.253 12.324 1.00 1.51 H new ATOM 0 HZ1 LYS A 84 2.045 14.840 11.428 1.00 2.11 H new ATOM 0 HZ2 LYS A 84 3.469 15.179 10.568 1.00 2.11 H new ATOM 0 HZ3 LYS A 84 2.227 14.285 9.833 1.00 2.11 H new ATOM 1192 N MET A 85 6.541 11.023 6.813 1.00 0.48 N ATOM 1193 CA MET A 85 7.842 10.378 6.702 1.00 0.52 C ATOM 1194 C MET A 85 8.699 10.684 7.925 1.00 0.57 C ATOM 1195 O MET A 85 8.689 11.802 8.440 1.00 0.67 O ATOM 1196 CB MET A 85 8.556 10.827 5.423 1.00 0.68 C ATOM 1197 CG MET A 85 8.784 12.329 5.332 1.00 1.26 C ATOM 1198 SD MET A 85 10.276 12.864 6.193 1.00 1.83 S ATOM 1199 CE MET A 85 10.218 14.632 5.910 1.00 2.62 C ATOM 0 H MET A 85 6.537 12.013 6.568 1.00 0.48 H new ATOM 0 HA MET A 85 7.687 9.300 6.652 1.00 0.52 H new ATOM 0 HB2 MET A 85 9.519 10.320 5.360 1.00 0.68 H new ATOM 0 HB3 MET A 85 7.970 10.507 4.561 1.00 0.68 H new ATOM 0 HG2 MET A 85 8.852 12.619 4.283 1.00 1.26 H new ATOM 0 HG3 MET A 85 7.922 12.849 5.751 1.00 1.26 H new ATOM 0 HE1 MET A 85 11.078 15.105 6.384 1.00 2.62 H new ATOM 0 HE2 MET A 85 10.240 14.830 4.838 1.00 2.62 H new ATOM 0 HE3 MET A 85 9.301 15.039 6.336 1.00 2.62 H new ATOM 1209 N GLU A 86 9.433 9.679 8.393 1.00 0.60 N ATOM 1210 CA GLU A 86 10.292 9.839 9.558 1.00 0.73 C ATOM 1211 C GLU A 86 11.693 10.268 9.142 1.00 0.84 C ATOM 1212 O GLU A 86 12.517 10.641 9.978 1.00 1.00 O ATOM 1213 CB GLU A 86 10.349 8.533 10.354 1.00 0.77 C ATOM 1214 CG GLU A 86 11.058 8.663 11.693 1.00 1.07 C ATOM 1215 CD GLU A 86 10.387 9.663 12.615 1.00 1.44 C ATOM 1216 OE1 GLU A 86 9.441 9.270 13.329 1.00 1.48 O ATOM 1217 OE2 GLU A 86 10.805 10.840 12.620 1.00 2.06 O ATOM 0 H GLU A 86 9.449 8.746 7.982 1.00 0.60 H new ATOM 0 HA GLU A 86 9.871 10.620 10.192 1.00 0.73 H new ATOM 0 HB2 GLU A 86 9.333 8.177 10.524 1.00 0.77 H new ATOM 0 HB3 GLU A 86 10.856 7.776 9.756 1.00 0.77 H new ATOM 0 HG2 GLU A 86 11.087 7.688 12.180 1.00 1.07 H new ATOM 0 HG3 GLU A 86 12.091 8.966 11.525 1.00 1.07 H new ATOM 1224 N GLY A 87 11.955 10.217 7.841 1.00 0.80 N ATOM 1225 CA GLY A 87 13.255 10.606 7.329 1.00 0.95 C ATOM 1226 C GLY A 87 13.790 9.648 6.288 1.00 0.81 C ATOM 1227 O GLY A 87 13.284 9.593 5.168 1.00 1.62 O ATOM 0 H GLY A 87 11.289 9.913 7.131 1.00 0.80 H new ATOM 0 HA2 GLY A 87 13.185 11.604 6.895 1.00 0.95 H new ATOM 0 HA3 GLY A 87 13.962 10.667 8.156 1.00 0.95 H new ATOM 1231 N ASP A 88 14.817 8.894 6.657 1.00 0.89 N ATOM 1232 CA ASP A 88 15.430 7.943 5.742 1.00 1.05 C ATOM 1233 C ASP A 88 15.171 6.507 6.178 1.00 0.98 C ATOM 1234 O ASP A 88 15.498 6.117 7.298 1.00 1.56 O ATOM 1235 CB ASP A 88 16.935 8.195 5.650 1.00 1.46 C ATOM 1236 CG ASP A 88 17.630 7.225 4.713 1.00 2.14 C ATOM 1237 OD1 ASP A 88 17.717 7.526 3.505 1.00 2.84 O ATOM 1238 OD2 ASP A 88 18.087 6.165 5.190 1.00 2.57 O ATOM 0 H ASP A 88 15.242 8.923 7.584 1.00 0.89 H new ATOM 0 HA ASP A 88 14.979 8.086 4.760 1.00 1.05 H new ATOM 0 HB2 ASP A 88 17.109 9.215 5.307 1.00 1.46 H new ATOM 0 HB3 ASP A 88 17.375 8.114 6.644 1.00 1.46 H new ATOM 1243 N ASN A 89 14.563 5.738 5.277 1.00 0.54 N ATOM 1244 CA ASN A 89 14.258 4.326 5.514 1.00 0.51 C ATOM 1245 C ASN A 89 13.089 4.143 6.476 1.00 0.46 C ATOM 1246 O ASN A 89 12.640 3.021 6.694 1.00 0.55 O ATOM 1247 CB ASN A 89 15.493 3.584 6.039 1.00 0.61 C ATOM 1248 CG ASN A 89 15.263 2.090 6.163 1.00 1.42 C ATOM 1249 OD1 ASN A 89 14.509 1.499 5.392 1.00 2.19 O ATOM 1250 ND2 ASN A 89 15.916 1.471 7.140 1.00 2.22 N ATOM 0 H ASN A 89 14.267 6.075 4.361 1.00 0.54 H new ATOM 0 HA ASN A 89 13.966 3.899 4.554 1.00 0.51 H new ATOM 0 HB2 ASN A 89 16.334 3.765 5.369 1.00 0.61 H new ATOM 0 HB3 ASN A 89 15.769 3.988 7.013 1.00 0.61 H new ATOM 0 HD21 ASN A 89 15.802 0.466 7.273 1.00 2.22 H new ATOM 0 HD22 ASN A 89 16.532 2.000 7.757 1.00 2.22 H new ATOM 1255 N LYS A 90 12.583 5.235 7.038 1.00 0.46 N ATOM 1256 CA LYS A 90 11.467 5.144 7.975 1.00 0.49 C ATOM 1257 C LYS A 90 10.340 6.111 7.620 1.00 0.46 C ATOM 1258 O LYS A 90 10.569 7.294 7.372 1.00 0.53 O ATOM 1259 CB LYS A 90 11.947 5.404 9.402 1.00 0.70 C ATOM 1260 CG LYS A 90 12.821 4.297 9.960 1.00 0.64 C ATOM 1261 CD LYS A 90 14.290 4.515 9.626 1.00 1.25 C ATOM 1262 CE LYS A 90 15.166 3.435 10.238 1.00 1.43 C ATOM 1263 NZ LYS A 90 15.079 3.429 11.724 1.00 2.05 N ATOM 0 H LYS A 90 12.921 6.182 6.865 1.00 0.46 H new ATOM 0 HA LYS A 90 11.069 4.132 7.905 1.00 0.49 H new ATOM 0 HB2 LYS A 90 12.504 6.341 9.424 1.00 0.70 H new ATOM 0 HB3 LYS A 90 11.080 5.533 10.050 1.00 0.70 H new ATOM 0 HG2 LYS A 90 12.698 4.247 11.042 1.00 0.64 H new ATOM 0 HG3 LYS A 90 12.495 3.338 9.557 1.00 0.64 H new ATOM 0 HD2 LYS A 90 14.421 4.522 8.544 1.00 1.25 H new ATOM 0 HD3 LYS A 90 14.606 5.492 9.991 1.00 1.25 H new ATOM 0 HE2 LYS A 90 14.865 2.461 9.852 1.00 1.43 H new ATOM 0 HE3 LYS A 90 16.201 3.592 9.935 1.00 1.43 H new ATOM 0 HZ1 LYS A 90 15.872 2.882 12.116 1.00 2.05 H new ATOM 0 HZ2 LYS A 90 15.123 4.406 12.078 1.00 2.05 H new ATOM 0 HZ3 LYS A 90 14.181 2.995 12.017 1.00 2.05 H new ATOM 1277 N MET A 91 9.119 5.581 7.597 1.00 0.42 N ATOM 1278 CA MET A 91 7.928 6.368 7.294 1.00 0.45 C ATOM 1279 C MET A 91 6.769 5.914 8.177 1.00 0.42 C ATOM 1280 O MET A 91 6.490 4.719 8.272 1.00 0.46 O ATOM 1281 CB MET A 91 7.551 6.222 5.818 1.00 0.49 C ATOM 1282 CG MET A 91 6.360 7.072 5.405 1.00 1.03 C ATOM 1283 SD MET A 91 5.813 6.735 3.721 1.00 1.51 S ATOM 1284 CE MET A 91 7.259 7.229 2.787 1.00 1.96 C ATOM 0 H MET A 91 8.929 4.597 7.787 1.00 0.42 H new ATOM 0 HA MET A 91 8.142 7.418 7.495 1.00 0.45 H new ATOM 0 HB2 MET A 91 8.410 6.493 5.204 1.00 0.49 H new ATOM 0 HB3 MET A 91 7.329 5.175 5.611 1.00 0.49 H new ATOM 0 HG2 MET A 91 5.534 6.892 6.093 1.00 1.03 H new ATOM 0 HG3 MET A 91 6.624 8.126 5.493 1.00 1.03 H new ATOM 0 HE1 MET A 91 7.061 7.112 1.721 1.00 1.96 H new ATOM 0 HE2 MET A 91 7.491 8.272 3.001 1.00 1.96 H new ATOM 0 HE3 MET A 91 8.106 6.604 3.070 1.00 1.96 H new ATOM 1294 N VAL A 92 6.094 6.863 8.822 1.00 0.40 N ATOM 1295 CA VAL A 92 4.980 6.526 9.702 1.00 0.39 C ATOM 1296 C VAL A 92 3.665 7.125 9.213 1.00 0.38 C ATOM 1297 O VAL A 92 3.518 8.344 9.111 1.00 0.42 O ATOM 1298 CB VAL A 92 5.242 7.004 11.143 1.00 0.45 C ATOM 1299 CG1 VAL A 92 4.091 6.610 12.057 1.00 1.46 C ATOM 1300 CG2 VAL A 92 6.559 6.442 11.658 1.00 1.45 C ATOM 0 H VAL A 92 6.297 7.860 8.753 1.00 0.40 H new ATOM 0 HA VAL A 92 4.897 5.439 9.688 1.00 0.39 H new ATOM 0 HB VAL A 92 5.313 8.092 11.139 1.00 0.45 H new ATOM 0 HG11 VAL A 92 4.296 6.957 13.070 1.00 1.46 H new ATOM 0 HG12 VAL A 92 3.168 7.065 11.697 1.00 1.46 H new ATOM 0 HG13 VAL A 92 3.983 5.525 12.060 1.00 1.46 H new ATOM 0 HG21 VAL A 92 6.729 6.789 12.677 1.00 1.45 H new ATOM 0 HG22 VAL A 92 6.519 5.353 11.648 1.00 1.45 H new ATOM 0 HG23 VAL A 92 7.374 6.781 11.019 1.00 1.45 H new ATOM 1304 N THR A 93 2.709 6.249 8.911 1.00 0.37 N ATOM 1305 CA THR A 93 1.391 6.667 8.449 1.00 0.40 C ATOM 1306 C THR A 93 0.294 5.891 9.176 1.00 0.41 C ATOM 1307 O THR A 93 0.445 4.698 9.444 1.00 0.44 O ATOM 1308 CB THR A 93 1.235 6.473 6.929 1.00 0.44 C ATOM 1309 OG1 THR A 93 -0.144 6.581 6.558 1.00 0.52 O ATOM 1310 CG2 THR A 93 1.777 5.121 6.494 1.00 0.47 C ATOM 0 H THR A 93 2.826 5.238 8.979 1.00 0.37 H new ATOM 0 HA THR A 93 1.293 7.729 8.673 1.00 0.40 H new ATOM 0 HB THR A 93 1.808 7.253 6.428 1.00 0.44 H new ATOM 0 HG1 THR A 93 -0.486 7.461 6.821 1.00 0.52 H new ATOM 0 HG21 THR A 93 1.655 5.009 5.417 1.00 0.47 H new ATOM 0 HG22 THR A 93 2.835 5.054 6.748 1.00 0.47 H new ATOM 0 HG23 THR A 93 1.231 4.328 7.005 1.00 0.47 H new ATOM 1315 N THR A 94 -0.806 6.568 9.494 1.00 0.42 N ATOM 1316 CA THR A 94 -1.917 5.929 10.199 1.00 0.46 C ATOM 1317 C THR A 94 -3.236 6.125 9.457 1.00 0.51 C ATOM 1318 O THR A 94 -3.587 7.247 9.090 1.00 0.57 O ATOM 1319 CB THR A 94 -2.063 6.480 11.630 1.00 0.52 C ATOM 1320 OG1 THR A 94 -2.275 7.897 11.592 1.00 1.23 O ATOM 1321 CG2 THR A 94 -0.823 6.171 12.457 1.00 1.12 C ATOM 0 H THR A 94 -0.953 7.554 9.277 1.00 0.42 H new ATOM 0 HA THR A 94 -1.687 4.865 10.244 1.00 0.46 H new ATOM 0 HB THR A 94 -2.922 5.997 12.095 1.00 0.52 H new ATOM 0 HG1 THR A 94 -2.646 8.149 10.721 1.00 1.23 H new ATOM 0 HG21 THR A 94 -0.949 6.569 13.464 1.00 1.12 H new ATOM 0 HG22 THR A 94 -0.680 5.092 12.509 1.00 1.12 H new ATOM 0 HG23 THR A 94 0.049 6.630 11.991 1.00 1.12 H new ATOM 1326 N PHE A 95 -3.966 5.031 9.233 1.00 0.53 N ATOM 1327 CA PHE A 95 -5.244 5.102 8.533 1.00 0.61 C ATOM 1328 C PHE A 95 -6.294 4.191 9.172 1.00 0.67 C ATOM 1329 O PHE A 95 -6.062 2.997 9.361 1.00 0.76 O ATOM 1330 CB PHE A 95 -5.063 4.742 7.054 1.00 0.73 C ATOM 1331 CG PHE A 95 -4.702 3.302 6.813 1.00 0.58 C ATOM 1332 CD1 PHE A 95 -3.418 2.845 7.058 1.00 0.58 C ATOM 1333 CD2 PHE A 95 -5.648 2.408 6.338 1.00 0.73 C ATOM 1334 CE1 PHE A 95 -3.084 1.522 6.837 1.00 0.75 C ATOM 1335 CE2 PHE A 95 -5.320 1.086 6.113 1.00 0.94 C ATOM 1336 CZ PHE A 95 -4.037 0.642 6.363 1.00 0.96 C ATOM 0 H PHE A 95 -3.694 4.092 9.525 1.00 0.53 H new ATOM 0 HA PHE A 95 -5.603 6.128 8.612 1.00 0.61 H new ATOM 0 HB2 PHE A 95 -5.986 4.968 6.520 1.00 0.73 H new ATOM 0 HB3 PHE A 95 -4.285 5.377 6.629 1.00 0.73 H new ATOM 0 HD1 PHE A 95 -2.669 3.530 7.426 1.00 0.58 H new ATOM 0 HD2 PHE A 95 -6.654 2.749 6.141 1.00 0.73 H new ATOM 0 HE1 PHE A 95 -2.080 1.177 7.035 1.00 0.75 H new ATOM 0 HE2 PHE A 95 -6.067 0.400 5.742 1.00 0.94 H new ATOM 0 HZ PHE A 95 -3.779 -0.392 6.188 1.00 0.96 H new ATOM 1346 N LYS A 96 -7.448 4.769 9.502 1.00 0.74 N ATOM 1347 CA LYS A 96 -8.552 4.019 10.102 1.00 0.83 C ATOM 1348 C LYS A 96 -8.132 3.338 11.406 1.00 0.85 C ATOM 1349 O LYS A 96 -8.773 2.387 11.854 1.00 1.43 O ATOM 1350 CB LYS A 96 -9.076 2.979 9.106 1.00 0.91 C ATOM 1351 CG LYS A 96 -10.435 2.404 9.474 1.00 1.27 C ATOM 1352 CD LYS A 96 -10.958 1.467 8.397 1.00 1.53 C ATOM 1353 CE LYS A 96 -10.100 0.217 8.275 1.00 1.76 C ATOM 1354 NZ LYS A 96 -10.597 -0.698 7.212 1.00 2.52 N ATOM 0 H LYS A 96 -7.644 5.760 9.363 1.00 0.74 H new ATOM 0 HA LYS A 96 -9.346 4.726 10.342 1.00 0.83 H new ATOM 0 HB2 LYS A 96 -9.141 3.436 8.119 1.00 0.91 H new ATOM 0 HB3 LYS A 96 -8.355 2.164 9.033 1.00 0.91 H new ATOM 0 HG2 LYS A 96 -10.359 1.866 10.419 1.00 1.27 H new ATOM 0 HG3 LYS A 96 -11.145 3.217 9.626 1.00 1.27 H new ATOM 0 HD2 LYS A 96 -11.984 1.183 8.629 1.00 1.53 H new ATOM 0 HD3 LYS A 96 -10.980 1.988 7.440 1.00 1.53 H new ATOM 0 HE2 LYS A 96 -9.071 0.503 8.055 1.00 1.76 H new ATOM 0 HE3 LYS A 96 -10.088 -0.309 9.230 1.00 1.76 H new ATOM 0 HZ1 LYS A 96 -9.984 -1.537 7.162 1.00 2.52 H new ATOM 0 HZ2 LYS A 96 -11.570 -0.992 7.434 1.00 2.52 H new ATOM 0 HZ3 LYS A 96 -10.585 -0.205 6.296 1.00 2.52 H new ATOM 1368 N GLY A 97 -7.064 3.833 12.020 1.00 0.78 N ATOM 1369 CA GLY A 97 -6.594 3.257 13.268 1.00 0.80 C ATOM 1370 C GLY A 97 -5.560 2.170 13.056 1.00 0.70 C ATOM 1371 O GLY A 97 -4.988 1.651 14.016 1.00 0.83 O ATOM 0 H GLY A 97 -6.515 4.622 11.678 1.00 0.78 H new ATOM 0 HA2 GLY A 97 -6.166 4.044 13.889 1.00 0.80 H new ATOM 0 HA3 GLY A 97 -7.442 2.845 13.816 1.00 0.80 H new ATOM 1375 N ILE A 98 -5.319 1.828 11.797 1.00 0.57 N ATOM 1376 CA ILE A 98 -4.342 0.803 11.453 1.00 0.50 C ATOM 1377 C ILE A 98 -2.970 1.435 11.261 1.00 0.45 C ATOM 1378 O ILE A 98 -2.849 2.504 10.663 1.00 0.48 O ATOM 1379 CB ILE A 98 -4.737 0.046 10.167 1.00 0.52 C ATOM 1380 CG1 ILE A 98 -6.022 -0.759 10.385 1.00 0.71 C ATOM 1381 CG2 ILE A 98 -3.609 -0.873 9.715 1.00 0.59 C ATOM 1382 CD1 ILE A 98 -7.280 0.080 10.369 1.00 1.45 C ATOM 0 H ILE A 98 -5.789 2.247 10.994 1.00 0.57 H new ATOM 0 HA ILE A 98 -4.313 0.088 12.276 1.00 0.50 H new ATOM 0 HB ILE A 98 -4.919 0.782 9.384 1.00 0.52 H new ATOM 0 HG12 ILE A 98 -6.096 -1.523 9.611 1.00 0.71 H new ATOM 0 HG13 ILE A 98 -5.956 -1.279 11.341 1.00 0.71 H new ATOM 0 HG21 ILE A 98 -3.908 -1.397 8.807 1.00 0.59 H new ATOM 0 HG22 ILE A 98 -2.716 -0.281 9.515 1.00 0.59 H new ATOM 0 HG23 ILE A 98 -3.395 -1.599 10.499 1.00 0.59 H new ATOM 0 HD11 ILE A 98 -8.147 -0.561 10.530 1.00 1.45 H new ATOM 0 HD12 ILE A 98 -7.229 0.827 11.161 1.00 1.45 H new ATOM 0 HD13 ILE A 98 -7.372 0.579 9.405 1.00 1.45 H new ATOM 1386 N LYS A 99 -1.935 0.775 11.772 1.00 0.41 N ATOM 1387 CA LYS A 99 -0.583 1.300 11.655 1.00 0.39 C ATOM 1388 C LYS A 99 0.149 0.678 10.479 1.00 0.37 C ATOM 1389 O LYS A 99 0.285 -0.544 10.389 1.00 0.40 O ATOM 1390 CB LYS A 99 0.210 1.046 12.936 1.00 0.42 C ATOM 1391 CG LYS A 99 1.140 2.193 13.303 1.00 0.95 C ATOM 1392 CD LYS A 99 1.904 1.906 14.586 1.00 1.46 C ATOM 1393 CE LYS A 99 0.983 1.895 15.797 1.00 2.05 C ATOM 1394 NZ LYS A 99 1.704 1.506 17.040 1.00 2.71 N ATOM 0 H LYS A 99 -2.007 -0.115 12.266 1.00 0.41 H new ATOM 0 HA LYS A 99 -0.665 2.374 11.489 1.00 0.39 H new ATOM 0 HB2 LYS A 99 -0.485 0.873 13.758 1.00 0.42 H new ATOM 0 HB3 LYS A 99 0.797 0.135 12.818 1.00 0.42 H new ATOM 0 HG2 LYS A 99 1.845 2.365 12.490 1.00 0.95 H new ATOM 0 HG3 LYS A 99 0.560 3.109 13.421 1.00 0.95 H new ATOM 0 HD2 LYS A 99 2.407 0.943 14.502 1.00 1.46 H new ATOM 0 HD3 LYS A 99 2.679 2.660 14.725 1.00 1.46 H new ATOM 0 HE2 LYS A 99 0.543 2.884 15.927 1.00 2.05 H new ATOM 0 HE3 LYS A 99 0.161 1.201 15.622 1.00 2.05 H new ATOM 0 HZ1 LYS A 99 1.041 1.511 17.842 1.00 2.71 H new ATOM 0 HZ2 LYS A 99 2.103 0.552 16.926 1.00 2.71 H new ATOM 0 HZ3 LYS A 99 2.472 2.183 17.222 1.00 2.71 H new ATOM 1408 N SER A 100 0.608 1.532 9.576 1.00 0.36 N ATOM 1409 CA SER A 100 1.350 1.083 8.413 1.00 0.36 C ATOM 1410 C SER A 100 2.725 1.735 8.393 1.00 0.34 C ATOM 1411 O SER A 100 2.842 2.959 8.352 1.00 0.34 O ATOM 1412 CB SER A 100 0.581 1.406 7.129 1.00 0.40 C ATOM 1413 OG SER A 100 0.014 2.702 7.186 1.00 1.23 O ATOM 0 H SER A 100 0.478 2.542 9.629 1.00 0.36 H new ATOM 0 HA SER A 100 1.476 0.002 8.470 1.00 0.36 H new ATOM 0 HB2 SER A 100 1.252 1.337 6.273 1.00 0.40 H new ATOM 0 HB3 SER A 100 -0.206 0.668 6.978 1.00 0.40 H new ATOM 0 HG SER A 100 -0.962 2.635 7.125 1.00 1.23 H new ATOM 1419 N VAL A 101 3.766 0.912 8.425 1.00 0.34 N ATOM 1420 CA VAL A 101 5.131 1.414 8.420 1.00 0.33 C ATOM 1421 C VAL A 101 5.841 1.046 7.124 1.00 0.33 C ATOM 1422 O VAL A 101 5.952 -0.128 6.774 1.00 0.36 O ATOM 1423 CB VAL A 101 5.932 0.859 9.612 1.00 0.37 C ATOM 1424 CG1 VAL A 101 7.308 1.500 9.679 1.00 0.49 C ATOM 1425 CG2 VAL A 101 5.170 1.073 10.910 1.00 0.59 C ATOM 0 H VAL A 101 3.689 -0.105 8.455 1.00 0.34 H new ATOM 0 HA VAL A 101 5.076 2.499 8.504 1.00 0.33 H new ATOM 0 HB VAL A 101 6.067 -0.213 9.468 1.00 0.37 H new ATOM 0 HG11 VAL A 101 7.858 1.094 10.528 1.00 0.49 H new ATOM 0 HG12 VAL A 101 7.853 1.288 8.759 1.00 0.49 H new ATOM 0 HG13 VAL A 101 7.202 2.578 9.798 1.00 0.49 H new ATOM 0 HG21 VAL A 101 5.750 0.675 11.742 1.00 0.59 H new ATOM 0 HG22 VAL A 101 5.002 2.139 11.062 1.00 0.59 H new ATOM 0 HG23 VAL A 101 4.211 0.558 10.858 1.00 0.59 H new ATOM 1429 N THR A 102 6.324 2.061 6.417 1.00 0.35 N ATOM 1430 CA THR A 102 7.017 1.847 5.156 1.00 0.40 C ATOM 1431 C THR A 102 8.486 2.251 5.245 1.00 0.37 C ATOM 1432 O THR A 102 8.812 3.349 5.698 1.00 0.39 O ATOM 1433 CB THR A 102 6.351 2.635 4.011 1.00 0.50 C ATOM 1434 OG1 THR A 102 4.961 2.295 3.928 1.00 0.55 O ATOM 1435 CG2 THR A 102 7.025 2.340 2.681 1.00 0.59 C ATOM 0 H THR A 102 6.248 3.039 6.697 1.00 0.35 H new ATOM 0 HA THR A 102 6.954 0.779 4.945 1.00 0.40 H new ATOM 0 HB THR A 102 6.457 3.698 4.225 1.00 0.50 H new ATOM 0 HG1 THR A 102 4.419 3.100 4.065 1.00 0.55 H new ATOM 0 HG21 THR A 102 6.535 2.909 1.891 1.00 0.59 H new ATOM 0 HG22 THR A 102 8.076 2.624 2.735 1.00 0.59 H new ATOM 0 HG23 THR A 102 6.948 1.275 2.462 1.00 0.59 H new ATOM 1440 N GLU A 103 9.365 1.356 4.810 1.00 0.37 N ATOM 1441 CA GLU A 103 10.792 1.620 4.814 1.00 0.38 C ATOM 1442 C GLU A 103 11.224 2.119 3.442 1.00 0.41 C ATOM 1443 O GLU A 103 10.930 1.485 2.427 1.00 0.47 O ATOM 1444 CB GLU A 103 11.558 0.350 5.173 1.00 0.43 C ATOM 1445 CG GLU A 103 11.658 0.096 6.668 1.00 1.12 C ATOM 1446 CD GLU A 103 10.310 -0.181 7.302 1.00 1.63 C ATOM 1447 OE1 GLU A 103 9.602 0.791 7.637 1.00 2.08 O ATOM 1448 OE2 GLU A 103 9.962 -1.369 7.463 1.00 2.10 O ATOM 0 H GLU A 103 9.109 0.437 4.449 1.00 0.37 H new ATOM 0 HA GLU A 103 11.012 2.385 5.559 1.00 0.38 H new ATOM 0 HB2 GLU A 103 11.070 -0.503 4.701 1.00 0.43 H new ATOM 0 HB3 GLU A 103 12.563 0.413 4.757 1.00 0.43 H new ATOM 0 HG2 GLU A 103 12.320 -0.751 6.846 1.00 1.12 H new ATOM 0 HG3 GLU A 103 12.112 0.962 7.151 1.00 1.12 H new ATOM 1455 N PHE A 104 11.916 3.252 3.404 1.00 0.43 N ATOM 1456 CA PHE A 104 12.348 3.816 2.126 1.00 0.49 C ATOM 1457 C PHE A 104 13.860 3.735 1.943 1.00 0.52 C ATOM 1458 O PHE A 104 14.624 4.374 2.663 1.00 0.62 O ATOM 1459 CB PHE A 104 11.897 5.273 2.025 1.00 0.64 C ATOM 1460 CG PHE A 104 11.011 5.552 0.846 1.00 0.56 C ATOM 1461 CD1 PHE A 104 11.559 5.877 -0.385 1.00 0.69 C ATOM 1462 CD2 PHE A 104 9.633 5.485 0.966 1.00 0.61 C ATOM 1463 CE1 PHE A 104 10.748 6.130 -1.475 1.00 0.78 C ATOM 1464 CE2 PHE A 104 8.817 5.736 -0.121 1.00 0.79 C ATOM 1465 CZ PHE A 104 9.366 6.082 -1.330 1.00 0.83 C ATOM 0 H PHE A 104 12.187 3.792 4.226 1.00 0.43 H new ATOM 0 HA PHE A 104 11.887 3.225 1.335 1.00 0.49 H new ATOM 0 HB2 PHE A 104 11.367 5.544 2.938 1.00 0.64 H new ATOM 0 HB3 PHE A 104 12.777 5.913 1.966 1.00 0.64 H new ATOM 0 HD1 PHE A 104 12.632 5.933 -0.494 1.00 0.69 H new ATOM 0 HD2 PHE A 104 9.191 5.234 1.919 1.00 0.61 H new ATOM 0 HE1 PHE A 104 11.185 6.364 -2.434 1.00 0.78 H new ATOM 0 HE2 PHE A 104 7.745 5.660 -0.019 1.00 0.79 H new ATOM 0 HZ PHE A 104 8.726 6.317 -2.168 1.00 0.83 H new ATOM 1475 N ASN A 105 14.278 2.966 0.947 1.00 0.53 N ATOM 1476 CA ASN A 105 15.689 2.816 0.631 1.00 0.62 C ATOM 1477 C ASN A 105 15.930 3.135 -0.835 1.00 0.67 C ATOM 1478 O ASN A 105 15.020 3.020 -1.657 1.00 0.81 O ATOM 1479 CB ASN A 105 16.175 1.402 0.962 1.00 0.69 C ATOM 1480 CG ASN A 105 16.181 1.134 2.455 1.00 1.24 C ATOM 1481 OD1 ASN A 105 16.379 2.185 3.246 1.00 1.72 O flip ATOM 1482 ND2 ASN A 105 16.009 -0.004 2.894 1.00 1.53 N flip ATOM 0 H ASN A 105 13.654 2.434 0.341 1.00 0.53 H new ATOM 0 HA ASN A 105 16.258 3.517 1.242 1.00 0.62 H new ATOM 0 HB2 ASN A 105 15.533 0.674 0.466 1.00 0.69 H new ATOM 0 HB3 ASN A 105 17.181 1.263 0.565 1.00 0.69 H new ATOM 0 HD21 ASN A 105 15.861 -0.782 2.251 1.00 1.53 H new ATOM 0 HD22 ASN A 105 16.015 -0.169 3.901 1.00 1.53 H new ATOM 1487 N GLY A 106 17.146 3.552 -1.162 1.00 0.78 N ATOM 1488 CA GLY A 106 17.467 3.881 -2.538 1.00 0.82 C ATOM 1489 C GLY A 106 17.520 2.659 -3.442 1.00 0.94 C ATOM 1490 O GLY A 106 18.187 2.681 -4.476 1.00 1.44 O ATOM 0 H GLY A 106 17.914 3.668 -0.501 1.00 0.78 H new ATOM 0 HA2 GLY A 106 16.723 4.579 -2.922 1.00 0.82 H new ATOM 0 HA3 GLY A 106 18.429 4.392 -2.569 1.00 0.82 H new ATOM 1494 N ASP A 107 16.816 1.591 -3.058 1.00 0.74 N ATOM 1495 CA ASP A 107 16.800 0.371 -3.854 1.00 0.93 C ATOM 1496 C ASP A 107 15.692 -0.588 -3.409 1.00 0.75 C ATOM 1497 O ASP A 107 15.274 -1.450 -4.182 1.00 0.67 O ATOM 1498 CB ASP A 107 18.155 -0.333 -3.768 1.00 1.22 C ATOM 1499 CG ASP A 107 18.581 -0.596 -2.336 1.00 1.91 C ATOM 1500 OD1 ASP A 107 18.139 -1.614 -1.764 1.00 2.43 O ATOM 1501 OD2 ASP A 107 19.358 0.214 -1.790 1.00 2.55 O ATOM 0 H ASP A 107 16.255 1.550 -2.207 1.00 0.74 H new ATOM 0 HA ASP A 107 16.600 0.659 -4.886 1.00 0.93 H new ATOM 0 HB2 ASP A 107 18.105 -1.278 -4.309 1.00 1.22 H new ATOM 0 HB3 ASP A 107 18.910 0.278 -4.263 1.00 1.22 H new ATOM 1506 N THR A 108 15.217 -0.442 -2.171 1.00 0.74 N ATOM 1507 CA THR A 108 14.170 -1.329 -1.664 1.00 0.63 C ATOM 1508 C THR A 108 13.140 -0.594 -0.806 1.00 0.59 C ATOM 1509 O THR A 108 13.465 0.356 -0.096 1.00 0.77 O ATOM 1510 CB THR A 108 14.773 -2.477 -0.834 1.00 0.75 C ATOM 1511 OG1 THR A 108 13.748 -3.403 -0.458 1.00 1.39 O ATOM 1512 CG2 THR A 108 15.461 -1.946 0.416 1.00 1.53 C ATOM 0 H THR A 108 15.534 0.269 -1.511 1.00 0.74 H new ATOM 0 HA THR A 108 13.664 -1.727 -2.543 1.00 0.63 H new ATOM 0 HB THR A 108 15.515 -2.984 -1.451 1.00 0.75 H new ATOM 0 HG1 THR A 108 13.106 -3.496 -1.192 1.00 1.39 H new ATOM 0 HG21 THR A 108 15.878 -2.778 0.983 1.00 1.53 H new ATOM 0 HG22 THR A 108 16.262 -1.265 0.129 1.00 1.53 H new ATOM 0 HG23 THR A 108 14.736 -1.414 1.032 1.00 1.53 H new ATOM 1517 N ILE A 109 11.890 -1.050 -0.888 1.00 0.45 N ATOM 1518 CA ILE A 109 10.801 -0.470 -0.106 1.00 0.44 C ATOM 1519 C ILE A 109 9.924 -1.571 0.489 1.00 0.37 C ATOM 1520 O ILE A 109 9.392 -2.411 -0.235 1.00 0.36 O ATOM 1521 CB ILE A 109 9.928 0.483 -0.950 1.00 0.51 C ATOM 1522 CG1 ILE A 109 10.723 1.736 -1.326 1.00 0.72 C ATOM 1523 CG2 ILE A 109 8.660 0.857 -0.192 1.00 0.70 C ATOM 1524 CD1 ILE A 109 9.938 2.734 -2.151 1.00 1.54 C ATOM 0 H ILE A 109 11.607 -1.822 -1.491 1.00 0.45 H new ATOM 0 HA ILE A 109 11.257 0.109 0.697 1.00 0.44 H new ATOM 0 HB ILE A 109 9.638 -0.030 -1.867 1.00 0.51 H new ATOM 0 HG12 ILE A 109 11.067 2.224 -0.414 1.00 0.72 H new ATOM 0 HG13 ILE A 109 11.611 1.438 -1.883 1.00 0.72 H new ATOM 0 HG21 ILE A 109 8.056 1.529 -0.802 1.00 0.70 H new ATOM 0 HG22 ILE A 109 8.088 -0.045 0.028 1.00 0.70 H new ATOM 0 HG23 ILE A 109 8.927 1.354 0.741 1.00 0.70 H new ATOM 0 HD11 ILE A 109 10.568 3.594 -2.378 1.00 1.54 H new ATOM 0 HD12 ILE A 109 9.616 2.265 -3.081 1.00 1.54 H new ATOM 0 HD13 ILE A 109 9.064 3.063 -1.589 1.00 1.54 H new ATOM 1528 N THR A 110 9.779 -1.558 1.811 1.00 0.37 N ATOM 1529 CA THR A 110 8.970 -2.559 2.501 1.00 0.34 C ATOM 1530 C THR A 110 7.755 -1.923 3.175 1.00 0.32 C ATOM 1531 O THR A 110 7.851 -0.841 3.751 1.00 0.37 O ATOM 1532 CB THR A 110 9.797 -3.312 3.558 1.00 0.39 C ATOM 1533 OG1 THR A 110 10.972 -3.867 2.957 1.00 0.44 O ATOM 1534 CG2 THR A 110 8.978 -4.426 4.195 1.00 0.41 C ATOM 0 H THR A 110 10.210 -0.867 2.425 1.00 0.37 H new ATOM 0 HA THR A 110 8.628 -3.266 1.745 1.00 0.34 H new ATOM 0 HB THR A 110 10.084 -2.602 4.334 1.00 0.39 H new ATOM 0 HG1 THR A 110 11.493 -4.343 3.637 1.00 0.44 H new ATOM 0 HG21 THR A 110 9.584 -4.944 4.939 1.00 0.41 H new ATOM 0 HG22 THR A 110 8.098 -4.001 4.677 1.00 0.41 H new ATOM 0 HG23 THR A 110 8.665 -5.133 3.426 1.00 0.41 H new ATOM 1539 N ASN A 111 6.615 -2.603 3.096 1.00 0.31 N ATOM 1540 CA ASN A 111 5.383 -2.105 3.699 1.00 0.33 C ATOM 1541 C ASN A 111 4.912 -3.028 4.821 1.00 0.31 C ATOM 1542 O ASN A 111 4.867 -4.247 4.657 1.00 0.32 O ATOM 1543 CB ASN A 111 4.289 -1.976 2.636 1.00 0.39 C ATOM 1544 CG ASN A 111 2.925 -1.700 3.238 1.00 1.15 C ATOM 1545 OD1 ASN A 111 2.166 -2.624 3.529 1.00 1.89 O ATOM 1546 ND2 ASN A 111 2.606 -0.425 3.427 1.00 1.95 N ATOM 0 H ASN A 111 6.519 -3.500 2.620 1.00 0.31 H new ATOM 0 HA ASN A 111 5.587 -1.122 4.124 1.00 0.33 H new ATOM 0 HB2 ASN A 111 4.548 -1.172 1.948 1.00 0.39 H new ATOM 0 HB3 ASN A 111 4.245 -2.894 2.051 1.00 0.39 H new ATOM 0 HD21 ASN A 111 1.701 -0.180 3.828 1.00 1.95 H new ATOM 0 HD22 ASN A 111 3.266 0.309 3.171 1.00 1.95 H new ATOM 1551 N THR A 112 4.561 -2.438 5.962 1.00 0.31 N ATOM 1552 CA THR A 112 4.094 -3.207 7.112 1.00 0.30 C ATOM 1553 C THR A 112 2.680 -2.798 7.510 1.00 0.30 C ATOM 1554 O THR A 112 2.441 -1.648 7.865 1.00 0.32 O ATOM 1555 CB THR A 112 5.018 -3.022 8.331 1.00 0.32 C ATOM 1556 OG1 THR A 112 6.388 -2.997 7.911 1.00 0.47 O ATOM 1557 CG2 THR A 112 4.817 -4.144 9.337 1.00 0.57 C ATOM 0 H THR A 112 4.591 -1.430 6.114 1.00 0.31 H new ATOM 0 HA THR A 112 4.103 -4.254 6.809 1.00 0.30 H new ATOM 0 HB THR A 112 4.766 -2.075 8.807 1.00 0.32 H new ATOM 0 HG1 THR A 112 6.581 -2.141 7.474 1.00 0.47 H new ATOM 0 HG21 THR A 112 5.480 -3.992 10.189 1.00 0.57 H new ATOM 0 HG22 THR A 112 3.782 -4.145 9.678 1.00 0.57 H new ATOM 0 HG23 THR A 112 5.045 -5.100 8.866 1.00 0.57 H new ATOM 1562 N MET A 113 1.749 -3.744 7.453 1.00 0.31 N ATOM 1563 CA MET A 113 0.361 -3.478 7.822 1.00 0.33 C ATOM 1564 C MET A 113 -0.090 -4.429 8.923 1.00 0.33 C ATOM 1565 O MET A 113 -0.053 -5.648 8.756 1.00 0.35 O ATOM 1566 CB MET A 113 -0.551 -3.618 6.602 1.00 0.36 C ATOM 1567 CG MET A 113 -0.289 -2.577 5.524 1.00 0.45 C ATOM 1568 SD MET A 113 -1.377 -2.762 4.099 1.00 0.55 S ATOM 1569 CE MET A 113 -0.837 -1.392 3.080 1.00 1.51 C ATOM 0 H MET A 113 1.929 -4.703 7.155 1.00 0.31 H new ATOM 0 HA MET A 113 0.295 -2.456 8.195 1.00 0.33 H new ATOM 0 HB2 MET A 113 -0.422 -4.612 6.174 1.00 0.36 H new ATOM 0 HB3 MET A 113 -1.589 -3.542 6.924 1.00 0.36 H new ATOM 0 HG2 MET A 113 -0.418 -1.581 5.948 1.00 0.45 H new ATOM 0 HG3 MET A 113 0.748 -2.652 5.196 1.00 0.45 H new ATOM 0 HE1 MET A 113 -1.653 -1.079 2.428 1.00 1.51 H new ATOM 0 HE2 MET A 113 -0.542 -0.559 3.717 1.00 1.51 H new ATOM 0 HE3 MET A 113 0.013 -1.703 2.473 1.00 1.51 H new ATOM 1579 N THR A 114 -0.518 -3.868 10.052 1.00 0.34 N ATOM 1580 CA THR A 114 -0.961 -4.682 11.180 1.00 0.35 C ATOM 1581 C THR A 114 -2.451 -4.493 11.460 1.00 0.39 C ATOM 1582 O THR A 114 -2.913 -3.378 11.697 1.00 0.43 O ATOM 1583 CB THR A 114 -0.167 -4.344 12.455 1.00 0.42 C ATOM 1584 OG1 THR A 114 1.239 -4.449 12.198 1.00 0.54 O ATOM 1585 CG2 THR A 114 -0.547 -5.279 13.594 1.00 0.56 C ATOM 0 H THR A 114 -0.567 -2.861 10.209 1.00 0.34 H new ATOM 0 HA THR A 114 -0.781 -5.721 10.905 1.00 0.35 H new ATOM 0 HB THR A 114 -0.410 -3.322 12.747 1.00 0.42 H new ATOM 0 HG1 THR A 114 1.738 -4.231 13.013 1.00 0.54 H new ATOM 0 HG21 THR A 114 0.027 -5.021 14.484 1.00 0.56 H new ATOM 0 HG22 THR A 114 -1.611 -5.179 13.807 1.00 0.56 H new ATOM 0 HG23 THR A 114 -0.329 -6.308 13.308 1.00 0.56 H new ATOM 1590 N LEU A 115 -3.195 -5.598 11.431 1.00 0.42 N ATOM 1591 CA LEU A 115 -4.630 -5.568 11.694 1.00 0.50 C ATOM 1592 C LEU A 115 -4.989 -6.623 12.735 1.00 0.60 C ATOM 1593 O LEU A 115 -4.843 -7.819 12.492 1.00 0.67 O ATOM 1594 CB LEU A 115 -5.415 -5.811 10.395 1.00 0.56 C ATOM 1595 CG LEU A 115 -6.908 -5.447 10.427 1.00 1.04 C ATOM 1596 CD1 LEU A 115 -7.694 -6.421 11.292 1.00 1.80 C ATOM 1597 CD2 LEU A 115 -7.107 -4.021 10.920 1.00 1.85 C ATOM 0 H LEU A 115 -2.825 -6.526 11.227 1.00 0.42 H new ATOM 0 HA LEU A 115 -4.898 -4.585 12.081 1.00 0.50 H new ATOM 0 HB2 LEU A 115 -4.940 -5.241 9.596 1.00 0.56 H new ATOM 0 HB3 LEU A 115 -5.325 -6.865 10.132 1.00 0.56 H new ATOM 0 HG LEU A 115 -7.287 -5.517 9.407 1.00 1.04 H new ATOM 0 HD11 LEU A 115 -8.746 -6.137 11.295 1.00 1.80 H new ATOM 0 HD12 LEU A 115 -7.591 -7.429 10.890 1.00 1.80 H new ATOM 0 HD13 LEU A 115 -7.308 -6.395 12.311 1.00 1.80 H new ATOM 0 HD21 LEU A 115 -8.171 -3.786 10.934 1.00 1.85 H new ATOM 0 HD22 LEU A 115 -6.701 -3.924 11.927 1.00 1.85 H new ATOM 0 HD23 LEU A 115 -6.592 -3.330 10.253 1.00 1.85 H new ATOM 1603 N GLY A 116 -5.463 -6.171 13.892 1.00 0.69 N ATOM 1604 CA GLY A 116 -5.825 -7.091 14.953 1.00 0.84 C ATOM 1605 C GLY A 116 -4.619 -7.819 15.515 1.00 0.93 C ATOM 1606 O GLY A 116 -4.040 -7.395 16.516 1.00 1.80 O ATOM 0 H GLY A 116 -5.602 -5.185 14.113 1.00 0.69 H new ATOM 0 HA2 GLY A 116 -6.322 -6.543 15.753 1.00 0.84 H new ATOM 0 HA3 GLY A 116 -6.542 -7.819 14.572 1.00 0.84 H new ATOM 1610 N ASP A 117 -4.242 -8.919 14.868 1.00 0.53 N ATOM 1611 CA ASP A 117 -3.097 -9.713 15.301 1.00 0.54 C ATOM 1612 C ASP A 117 -2.420 -10.373 14.102 1.00 0.50 C ATOM 1613 O ASP A 117 -1.695 -11.358 14.249 1.00 0.56 O ATOM 1614 CB ASP A 117 -3.538 -10.782 16.305 1.00 0.61 C ATOM 1615 CG ASP A 117 -4.228 -10.190 17.519 1.00 1.52 C ATOM 1616 OD1 ASP A 117 -3.524 -9.821 18.481 1.00 2.23 O ATOM 1617 OD2 ASP A 117 -5.473 -10.097 17.506 1.00 2.14 O ATOM 0 H ASP A 117 -4.715 -9.281 14.040 1.00 0.53 H new ATOM 0 HA ASP A 117 -2.382 -9.047 15.785 1.00 0.54 H new ATOM 0 HB2 ASP A 117 -4.213 -11.482 15.813 1.00 0.61 H new ATOM 0 HB3 ASP A 117 -2.668 -11.353 16.628 1.00 0.61 H new ATOM 1622 N ILE A 118 -2.660 -9.819 12.917 1.00 0.45 N ATOM 1623 CA ILE A 118 -2.088 -10.352 11.685 1.00 0.45 C ATOM 1624 C ILE A 118 -0.967 -9.459 11.162 1.00 0.38 C ATOM 1625 O ILE A 118 -1.084 -8.233 11.169 1.00 0.37 O ATOM 1626 CB ILE A 118 -3.161 -10.497 10.591 1.00 0.50 C ATOM 1627 CG1 ILE A 118 -4.488 -10.934 11.216 1.00 0.53 C ATOM 1628 CG2 ILE A 118 -2.704 -11.495 9.534 1.00 0.61 C ATOM 1629 CD1 ILE A 118 -5.626 -11.030 10.227 1.00 0.83 C ATOM 0 H ILE A 118 -3.250 -8.997 12.784 1.00 0.45 H new ATOM 0 HA ILE A 118 -1.681 -11.334 11.925 1.00 0.45 H new ATOM 0 HB ILE A 118 -3.309 -9.532 10.106 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -4.352 -11.904 11.694 1.00 0.53 H new ATOM 0 HG13 ILE A 118 -4.759 -10.228 12.000 1.00 0.53 H new ATOM 0 HG21 ILE A 118 -3.472 -11.589 8.766 1.00 0.61 H new ATOM 0 HG22 ILE A 118 -1.777 -11.145 9.080 1.00 0.61 H new ATOM 0 HG23 ILE A 118 -2.536 -12.466 9.999 1.00 0.61 H new ATOM 0 HD11 ILE A 118 -6.532 -11.345 10.744 1.00 0.83 H new ATOM 0 HD12 ILE A 118 -5.791 -10.056 9.767 1.00 0.83 H new ATOM 0 HD13 ILE A 118 -5.377 -11.758 9.455 1.00 0.83 H new ATOM 1633 N VAL A 119 0.116 -10.082 10.708 1.00 0.40 N ATOM 1634 CA VAL A 119 1.258 -9.344 10.183 1.00 0.36 C ATOM 1635 C VAL A 119 1.325 -9.429 8.666 1.00 0.35 C ATOM 1636 O VAL A 119 1.365 -10.517 8.091 1.00 0.38 O ATOM 1637 CB VAL A 119 2.582 -9.864 10.774 1.00 0.40 C ATOM 1638 CG1 VAL A 119 3.737 -8.955 10.384 1.00 1.35 C ATOM 1639 CG2 VAL A 119 2.478 -9.990 12.287 1.00 1.31 C ATOM 0 H VAL A 119 0.226 -11.096 10.693 1.00 0.40 H new ATOM 0 HA VAL A 119 1.119 -8.303 10.476 1.00 0.36 H new ATOM 0 HB VAL A 119 2.778 -10.854 10.363 1.00 0.40 H new ATOM 0 HG11 VAL A 119 4.663 -9.340 10.811 1.00 1.35 H new ATOM 0 HG12 VAL A 119 3.824 -8.923 9.298 1.00 1.35 H new ATOM 0 HG13 VAL A 119 3.553 -7.950 10.763 1.00 1.35 H new ATOM 0 HG21 VAL A 119 3.422 -10.359 12.687 1.00 1.31 H new ATOM 0 HG22 VAL A 119 2.257 -9.014 12.719 1.00 1.31 H new ATOM 0 HG23 VAL A 119 1.680 -10.688 12.540 1.00 1.31 H new ATOM 1643 N TYR A 120 1.336 -8.266 8.024 1.00 0.38 N ATOM 1644 CA TYR A 120 1.405 -8.191 6.573 1.00 0.38 C ATOM 1645 C TYR A 120 2.680 -7.462 6.153 1.00 0.37 C ATOM 1646 O TYR A 120 2.878 -6.296 6.494 1.00 0.41 O ATOM 1647 CB TYR A 120 0.166 -7.456 6.047 1.00 0.43 C ATOM 1648 CG TYR A 120 -0.090 -7.628 4.566 1.00 0.67 C ATOM 1649 CD1 TYR A 120 0.492 -6.778 3.634 1.00 0.96 C ATOM 1650 CD2 TYR A 120 -0.928 -8.636 4.102 1.00 0.77 C ATOM 1651 CE1 TYR A 120 0.250 -6.930 2.281 1.00 1.28 C ATOM 1652 CE2 TYR A 120 -1.176 -8.793 2.752 1.00 1.08 C ATOM 1653 CZ TYR A 120 -0.585 -7.937 1.847 1.00 1.32 C ATOM 1654 OH TYR A 120 -0.830 -8.091 0.501 1.00 1.67 O ATOM 0 H TYR A 120 1.298 -7.359 8.490 1.00 0.38 H new ATOM 0 HA TYR A 120 1.428 -9.196 6.151 1.00 0.38 H new ATOM 0 HB2 TYR A 120 -0.708 -7.807 6.596 1.00 0.43 H new ATOM 0 HB3 TYR A 120 0.272 -6.393 6.262 1.00 0.43 H new ATOM 0 HD1 TYR A 120 1.144 -5.986 3.972 1.00 0.96 H new ATOM 0 HD2 TYR A 120 -1.393 -9.307 4.809 1.00 0.77 H new ATOM 0 HE1 TYR A 120 0.713 -6.263 1.568 1.00 1.28 H new ATOM 0 HE2 TYR A 120 -1.829 -9.581 2.408 1.00 1.08 H new ATOM 0 HH TYR A 120 -1.438 -8.847 0.364 1.00 1.67 H new ATOM 1664 N LYS A 121 3.547 -8.153 5.415 1.00 0.35 N ATOM 1665 CA LYS A 121 4.803 -7.557 4.962 1.00 0.36 C ATOM 1666 C LYS A 121 4.988 -7.732 3.459 1.00 0.35 C ATOM 1667 O LYS A 121 4.991 -8.854 2.950 1.00 0.36 O ATOM 1668 CB LYS A 121 5.987 -8.178 5.707 1.00 0.39 C ATOM 1669 CG LYS A 121 7.316 -7.496 5.417 1.00 0.91 C ATOM 1670 CD LYS A 121 8.457 -8.130 6.201 1.00 1.08 C ATOM 1671 CE LYS A 121 8.776 -9.531 5.701 1.00 1.35 C ATOM 1672 NZ LYS A 121 9.908 -10.143 6.449 1.00 2.05 N ATOM 0 H LYS A 121 3.405 -9.119 5.120 1.00 0.35 H new ATOM 0 HA LYS A 121 4.762 -6.490 5.180 1.00 0.36 H new ATOM 0 HB2 LYS A 121 5.793 -8.136 6.779 1.00 0.39 H new ATOM 0 HB3 LYS A 121 6.063 -9.231 5.438 1.00 0.39 H new ATOM 0 HG2 LYS A 121 7.530 -7.556 4.350 1.00 0.91 H new ATOM 0 HG3 LYS A 121 7.245 -6.438 5.669 1.00 0.91 H new ATOM 0 HD2 LYS A 121 9.346 -7.504 6.120 1.00 1.08 H new ATOM 0 HD3 LYS A 121 8.192 -8.173 7.258 1.00 1.08 H new ATOM 0 HE2 LYS A 121 7.892 -10.162 5.800 1.00 1.35 H new ATOM 0 HE3 LYS A 121 9.022 -9.491 4.640 1.00 1.35 H new ATOM 0 HZ1 LYS A 121 10.094 -11.097 6.078 1.00 2.05 H new ATOM 0 HZ2 LYS A 121 10.758 -9.555 6.334 1.00 2.05 H new ATOM 0 HZ3 LYS A 121 9.664 -10.205 7.458 1.00 2.05 H new ATOM 1686 N ARG A 122 5.167 -6.617 2.758 1.00 0.35 N ATOM 1687 CA ARG A 122 5.349 -6.641 1.310 1.00 0.36 C ATOM 1688 C ARG A 122 6.804 -6.381 0.933 1.00 0.34 C ATOM 1689 O ARG A 122 7.395 -5.382 1.345 1.00 0.36 O ATOM 1690 CB ARG A 122 4.427 -5.608 0.650 1.00 0.39 C ATOM 1691 CG ARG A 122 4.844 -5.204 -0.756 1.00 0.73 C ATOM 1692 CD ARG A 122 5.590 -3.879 -0.752 1.00 0.64 C ATOM 1693 NE ARG A 122 5.798 -3.362 -2.102 1.00 1.23 N ATOM 1694 CZ ARG A 122 6.038 -2.082 -2.371 1.00 1.44 C ATOM 1695 NH1 ARG A 122 6.097 -1.194 -1.386 1.00 1.14 N ATOM 1696 NH2 ARG A 122 6.222 -1.691 -3.624 1.00 2.32 N ATOM 0 H ARG A 122 5.190 -5.684 3.169 1.00 0.35 H new ATOM 0 HA ARG A 122 5.086 -7.634 0.947 1.00 0.36 H new ATOM 0 HB2 ARG A 122 3.415 -6.012 0.614 1.00 0.39 H new ATOM 0 HB3 ARG A 122 4.392 -4.717 1.276 1.00 0.39 H new ATOM 0 HG2 ARG A 122 5.478 -5.979 -1.186 1.00 0.73 H new ATOM 0 HG3 ARG A 122 3.961 -5.125 -1.391 1.00 0.73 H new ATOM 0 HD2 ARG A 122 5.030 -3.150 -0.167 1.00 0.64 H new ATOM 0 HD3 ARG A 122 6.555 -4.008 -0.261 1.00 0.64 H new ATOM 0 HE ARG A 122 5.757 -4.019 -2.881 1.00 1.23 H new ATOM 0 HH11 ARG A 122 5.958 -1.493 -0.421 1.00 1.14 H new ATOM 0 HH12 ARG A 122 6.281 -0.213 -1.594 1.00 1.14 H new ATOM 0 HH21 ARG A 122 6.180 -2.372 -4.382 1.00 2.32 H new ATOM 0 HH22 ARG A 122 6.406 -0.709 -3.830 1.00 2.32 H new ATOM 1710 N VAL A 123 7.373 -7.291 0.148 1.00 0.32 N ATOM 1711 CA VAL A 123 8.757 -7.166 -0.294 1.00 0.32 C ATOM 1712 C VAL A 123 8.819 -6.714 -1.751 1.00 0.30 C ATOM 1713 O VAL A 123 8.330 -7.404 -2.643 1.00 0.33 O ATOM 1714 CB VAL A 123 9.511 -8.502 -0.155 1.00 0.36 C ATOM 1715 CG1 VAL A 123 10.960 -8.352 -0.592 1.00 0.41 C ATOM 1716 CG2 VAL A 123 9.429 -9.017 1.276 1.00 0.40 C ATOM 0 H VAL A 123 6.895 -8.124 -0.195 1.00 0.32 H new ATOM 0 HA VAL A 123 9.233 -6.420 0.343 1.00 0.32 H new ATOM 0 HB VAL A 123 9.035 -9.232 -0.809 1.00 0.36 H new ATOM 0 HG11 VAL A 123 11.473 -9.308 -0.485 1.00 0.41 H new ATOM 0 HG12 VAL A 123 10.995 -8.036 -1.635 1.00 0.41 H new ATOM 0 HG13 VAL A 123 11.452 -7.605 0.030 1.00 0.41 H new ATOM 0 HG21 VAL A 123 9.967 -9.961 1.354 1.00 0.40 H new ATOM 0 HG22 VAL A 123 9.876 -8.287 1.951 1.00 0.40 H new ATOM 0 HG23 VAL A 123 8.385 -9.171 1.548 1.00 0.40 H new ATOM 1720 N SER A 124 9.424 -5.553 -1.985 1.00 0.30 N ATOM 1721 CA SER A 124 9.548 -5.022 -3.339 1.00 0.31 C ATOM 1722 C SER A 124 10.960 -4.513 -3.601 1.00 0.32 C ATOM 1723 O SER A 124 11.578 -3.892 -2.737 1.00 0.36 O ATOM 1724 CB SER A 124 8.538 -3.901 -3.570 1.00 0.35 C ATOM 1725 OG SER A 124 8.822 -2.779 -2.752 1.00 1.14 O ATOM 0 H SER A 124 9.834 -4.965 -1.259 1.00 0.30 H new ATOM 0 HA SER A 124 9.340 -5.834 -4.036 1.00 0.31 H new ATOM 0 HB2 SER A 124 8.554 -3.603 -4.618 1.00 0.35 H new ATOM 0 HB3 SER A 124 7.533 -4.264 -3.357 1.00 0.35 H new ATOM 0 HG SER A 124 9.126 -3.084 -1.872 1.00 1.14 H new ATOM 1731 N LYS A 125 11.462 -4.777 -4.805 1.00 0.35 N ATOM 1732 CA LYS A 125 12.800 -4.347 -5.190 1.00 0.39 C ATOM 1733 C LYS A 125 12.743 -3.409 -6.393 1.00 0.35 C ATOM 1734 O LYS A 125 11.856 -3.524 -7.239 1.00 0.38 O ATOM 1735 CB LYS A 125 13.675 -5.565 -5.503 1.00 0.52 C ATOM 1736 CG LYS A 125 13.081 -6.499 -6.545 1.00 0.88 C ATOM 1737 CD LYS A 125 13.504 -6.121 -7.957 1.00 1.37 C ATOM 1738 CE LYS A 125 14.993 -6.345 -8.177 1.00 1.37 C ATOM 1739 NZ LYS A 125 15.417 -5.957 -9.552 1.00 2.04 N ATOM 0 H LYS A 125 10.960 -5.288 -5.531 1.00 0.35 H new ATOM 0 HA LYS A 125 13.241 -3.802 -4.355 1.00 0.39 H new ATOM 0 HB2 LYS A 125 14.649 -5.221 -5.851 1.00 0.52 H new ATOM 0 HB3 LYS A 125 13.845 -6.124 -4.583 1.00 0.52 H new ATOM 0 HG2 LYS A 125 13.393 -7.522 -6.335 1.00 0.88 H new ATOM 0 HG3 LYS A 125 11.994 -6.477 -6.474 1.00 0.88 H new ATOM 0 HD2 LYS A 125 12.937 -6.711 -8.677 1.00 1.37 H new ATOM 0 HD3 LYS A 125 13.262 -5.074 -8.142 1.00 1.37 H new ATOM 0 HE2 LYS A 125 15.559 -5.767 -7.446 1.00 1.37 H new ATOM 0 HE3 LYS A 125 15.231 -7.395 -8.007 1.00 1.37 H new ATOM 0 HZ1 LYS A 125 16.379 -6.309 -9.731 1.00 2.04 H new ATOM 0 HZ2 LYS A 125 14.763 -6.370 -10.247 1.00 2.04 H new ATOM 0 HZ3 LYS A 125 15.405 -4.921 -9.639 1.00 2.04 H new ATOM 1753 N ARG A 126 13.694 -2.481 -6.462 1.00 0.37 N ATOM 1754 CA ARG A 126 13.747 -1.524 -7.562 1.00 0.40 C ATOM 1755 C ARG A 126 14.195 -2.200 -8.853 1.00 0.44 C ATOM 1756 O ARG A 126 15.290 -2.759 -8.927 1.00 0.52 O ATOM 1757 CB ARG A 126 14.696 -0.373 -7.220 1.00 0.51 C ATOM 1758 CG ARG A 126 14.782 0.689 -8.305 1.00 0.63 C ATOM 1759 CD ARG A 126 15.711 1.822 -7.902 1.00 1.14 C ATOM 1760 NE ARG A 126 15.839 2.826 -8.955 1.00 1.70 N ATOM 1761 CZ ARG A 126 16.464 3.990 -8.793 1.00 2.27 C ATOM 1762 NH1 ARG A 126 17.005 4.299 -7.622 1.00 2.51 N ATOM 1763 NH2 ARG A 126 16.547 4.845 -9.802 1.00 3.09 N ATOM 0 H ARG A 126 14.436 -2.372 -5.771 1.00 0.37 H new ATOM 0 HA ARG A 126 12.743 -1.127 -7.711 1.00 0.40 H new ATOM 0 HB2 ARG A 126 14.367 0.094 -6.292 1.00 0.51 H new ATOM 0 HB3 ARG A 126 15.692 -0.776 -7.039 1.00 0.51 H new ATOM 0 HG2 ARG A 126 15.138 0.237 -9.231 1.00 0.63 H new ATOM 0 HG3 ARG A 126 13.787 1.087 -8.506 1.00 0.63 H new ATOM 0 HD2 ARG A 126 15.334 2.294 -6.995 1.00 1.14 H new ATOM 0 HD3 ARG A 126 16.695 1.417 -7.666 1.00 1.14 H new ATOM 0 HE ARG A 126 15.426 2.624 -9.866 1.00 1.70 H new ATOM 0 HH11 ARG A 126 16.943 3.644 -6.843 1.00 2.51 H new ATOM 0 HH12 ARG A 126 17.483 5.192 -7.501 1.00 2.51 H new ATOM 0 HH21 ARG A 126 16.132 4.611 -10.704 1.00 3.09 H new ATOM 0 HH22 ARG A 126 17.026 5.737 -9.677 1.00 3.09 H new ATOM 1777 N ILE A 127 13.339 -2.142 -9.870 1.00 0.48 N ATOM 1778 CA ILE A 127 13.646 -2.745 -11.163 1.00 0.58 C ATOM 1779 C ILE A 127 14.059 -1.686 -12.179 1.00 0.75 C ATOM 1780 O ILE A 127 14.327 -1.997 -13.339 1.00 1.31 O ATOM 1781 CB ILE A 127 12.441 -3.532 -11.716 1.00 0.76 C ATOM 1782 CG1 ILE A 127 11.253 -2.597 -11.955 1.00 0.82 C ATOM 1783 CG2 ILE A 127 12.060 -4.651 -10.757 1.00 1.23 C ATOM 1784 CD1 ILE A 127 10.075 -3.272 -12.626 1.00 1.21 C ATOM 0 H ILE A 127 12.429 -1.684 -9.823 1.00 0.48 H new ATOM 0 HA ILE A 127 14.476 -3.433 -11.003 1.00 0.58 H new ATOM 0 HB ILE A 127 12.722 -3.975 -12.671 1.00 0.76 H new ATOM 0 HG12 ILE A 127 10.929 -2.184 -11.000 1.00 0.82 H new ATOM 0 HG13 ILE A 127 11.579 -1.759 -12.570 1.00 0.82 H new ATOM 0 HG21 ILE A 127 11.208 -5.200 -11.158 1.00 1.23 H new ATOM 0 HG22 ILE A 127 12.904 -5.330 -10.636 1.00 1.23 H new ATOM 0 HG23 ILE A 127 11.795 -4.226 -9.789 1.00 1.23 H new ATOM 0 HD11 ILE A 127 9.271 -2.549 -12.763 1.00 1.21 H new ATOM 0 HD12 ILE A 127 10.383 -3.661 -13.597 1.00 1.21 H new ATOM 0 HD13 ILE A 127 9.722 -4.093 -12.002 1.00 1.21 H new TER 1788 ILE A 127 HETATM 1789 C1 OLA A 128 -9.359 -10.475 -11.417 1.00 4.80 C HETATM 1790 O1 OLA A 128 -10.415 -10.267 -12.053 1.00 5.27 O HETATM 1791 O2 OLA A 128 -8.255 -9.995 -11.748 1.00 5.34 O HETATM 1792 C2 OLA A 128 -9.425 -11.344 -10.176 1.00 3.99 C HETATM 1793 C3 OLA A 128 -9.239 -10.547 -8.895 1.00 2.99 C HETATM 1794 C4 OLA A 128 -7.772 -10.242 -8.637 1.00 2.27 C HETATM 1795 C5 OLA A 128 -7.509 -8.745 -8.608 1.00 1.37 C HETATM 1796 C6 OLA A 128 -6.886 -8.315 -7.289 1.00 1.21 C HETATM 1797 C7 OLA A 128 -7.930 -8.192 -6.190 1.00 1.40 C HETATM 1798 C8 OLA A 128 -7.389 -7.430 -4.990 1.00 1.72 C HETATM 1799 C9 OLA A 128 -8.067 -6.169 -4.872 1.00 2.12 C HETATM 1800 C10 OLA A 128 -7.912 -5.385 -3.737 1.00 2.24 C HETATM 1801 C11 OLA A 128 -7.074 -5.819 -2.654 1.00 1.95 C HETATM 1802 C12 OLA A 128 -6.988 -4.725 -1.604 1.00 1.93 C HETATM 1803 C13 OLA A 128 -5.551 -4.287 -1.372 1.00 2.05 C HETATM 1804 C14 OLA A 128 -5.486 -2.868 -0.834 1.00 2.14 C HETATM 1805 C15 OLA A 128 -4.343 -2.086 -1.460 1.00 2.46 C HETATM 1806 C16 OLA A 128 -4.820 -0.753 -2.017 1.00 2.76 C HETATM 1807 C17 OLA A 128 -5.297 -0.891 -3.454 1.00 3.48 C HETATM 1808 C18 OLA A 128 -6.724 -0.405 -3.580 1.00 4.18 C HETATM 0 H183 OLA A 128 -7.369 -0.998 -2.932 1.00 4.18 H new HETATM 0 H182 OLA A 128 -6.779 0.643 -3.285 1.00 4.18 H new HETATM 0 H181 OLA A 128 -7.054 -0.509 -4.614 1.00 4.18 H new HETATM 0 H172 OLA A 128 -4.650 -0.316 -4.116 1.00 3.48 H new HETATM 0 H171 OLA A 128 -5.231 -1.933 -3.768 1.00 3.48 H new HETATM 0 H162 OLA A 128 -5.631 -0.368 -1.398 1.00 2.76 H new HETATM 0 H161 OLA A 128 -4.009 -0.026 -1.969 1.00 2.76 H new HETATM 0 H152 OLA A 128 -3.567 -1.913 -0.714 1.00 2.46 H new HETATM 0 H151 OLA A 128 -3.892 -2.675 -2.259 1.00 2.46 H new HETATM 0 H142 OLA A 128 -6.429 -2.359 -1.034 1.00 2.14 H new HETATM 0 H141 OLA A 128 -5.361 -2.894 0.248 1.00 2.14 H new HETATM 0 H132 OLA A 128 -5.070 -4.967 -0.669 1.00 2.05 H new HETATM 0 H131 OLA A 128 -4.994 -4.349 -2.307 1.00 2.05 H new HETATM 0 H122 OLA A 128 -7.584 -3.869 -1.920 1.00 1.93 H new HETATM 0 H121 OLA A 128 -7.416 -5.083 -0.668 1.00 1.93 H new HETATM 0 H112 OLA A 128 -7.477 -6.730 -2.212 1.00 1.95 H new HETATM 0 H111 OLA A 128 -6.078 -6.059 -3.026 1.00 1.95 H new HETATM 0 HO2 OLA A 128 -8.394 -9.137 -12.201 1.00 5.34 H new HETATM 0 H9 OLA A 128 -8.710 -5.824 -5.682 1.00 2.12 H new HETATM 0 H82 OLA A 128 -7.529 -8.016 -4.082 1.00 1.72 H new HETATM 0 H81 OLA A 128 -6.317 -7.268 -5.103 1.00 1.72 H new HETATM 0 H72 OLA A 128 -8.811 -7.682 -6.579 1.00 1.40 H new HETATM 0 H71 OLA A 128 -8.249 -9.186 -5.877 1.00 1.40 H new HETATM 0 H62 OLA A 128 -6.127 -9.039 -6.991 1.00 1.21 H new HETATM 0 H61 OLA A 128 -6.380 -7.358 -7.420 1.00 1.21 H new HETATM 0 H52 OLA A 128 -6.846 -8.475 -9.430 1.00 1.37 H new HETATM 0 H51 OLA A 128 -8.444 -8.207 -8.763 1.00 1.37 H new HETATM 0 H42 OLA A 128 -7.469 -10.684 -7.688 1.00 2.27 H new HETATM 0 H41 OLA A 128 -7.162 -10.704 -9.413 1.00 2.27 H new HETATM 0 H32 OLA A 128 -9.800 -9.614 -8.961 1.00 2.99 H new HETATM 0 H31 OLA A 128 -9.649 -11.107 -8.054 1.00 2.99 H new HETATM 0 H22 OLA A 128 -10.387 -11.855 -10.145 1.00 3.99 H new HETATM 0 H21 OLA A 128 -8.657 -12.115 -10.235 1.00 3.99 H new HETATM 0 H10 OLA A 128 -8.432 -4.430 -3.667 1.00 2.24 H new HETATM 1842 C1 OLA A 129 0.966 -0.046 -0.177 1.00 2.32 C HETATM 1843 O1 OLA A 129 0.622 -1.133 -0.687 1.00 2.82 O HETATM 1844 O2 OLA A 129 0.160 0.868 0.093 1.00 2.88 O HETATM 1845 C2 OLA A 129 2.427 0.150 0.182 1.00 1.83 C HETATM 1846 C3 OLA A 129 2.830 1.616 0.228 1.00 1.51 C HETATM 1847 C4 OLA A 129 2.575 2.224 1.598 1.00 1.30 C HETATM 1848 C5 OLA A 129 1.895 3.580 1.489 1.00 1.27 C HETATM 1849 C6 OLA A 129 1.359 4.044 2.834 1.00 1.29 C HETATM 1850 C7 OLA A 129 1.258 5.560 2.899 1.00 1.40 C HETATM 1851 C8 OLA A 129 -0.154 6.010 3.238 1.00 1.59 C HETATM 1852 C9 OLA A 129 -0.912 6.177 2.028 1.00 1.46 C HETATM 1853 C10 OLA A 129 -2.296 6.317 2.066 1.00 1.19 C HETATM 1854 C11 OLA A 129 -3.008 6.300 3.315 1.00 1.04 C HETATM 1855 C12 OLA A 129 -3.300 4.864 3.726 1.00 1.25 C HETATM 1856 C13 OLA A 129 -4.529 4.318 3.016 1.00 1.80 C HETATM 1857 C14 OLA A 129 -4.184 3.119 2.145 1.00 2.20 C HETATM 1858 C15 OLA A 129 -3.899 3.536 0.711 1.00 2.16 C HETATM 1859 C16 OLA A 129 -4.658 2.674 -0.283 1.00 2.10 C HETATM 1860 C17 OLA A 129 -4.836 3.384 -1.615 1.00 1.84 C HETATM 1861 C18 OLA A 129 -6.242 3.175 -2.137 1.00 2.46 C HETATM 0 H183 OLA A 129 -6.424 2.109 -2.275 1.00 2.46 H new HETATM 0 H182 OLA A 129 -6.959 3.576 -1.421 1.00 2.46 H new HETATM 0 H181 OLA A 129 -6.356 3.689 -3.092 1.00 2.46 H new HETATM 0 H172 OLA A 129 -4.639 4.450 -1.496 1.00 1.84 H new HETATM 0 H171 OLA A 129 -4.113 3.005 -2.337 1.00 1.84 H new HETATM 0 H162 OLA A 129 -4.122 1.738 -0.438 1.00 2.10 H new HETATM 0 H161 OLA A 129 -5.635 2.418 0.127 1.00 2.10 H new HETATM 0 H152 OLA A 129 -4.176 4.581 0.573 1.00 2.16 H new HETATM 0 H151 OLA A 129 -2.829 3.462 0.516 1.00 2.16 H new HETATM 0 H142 OLA A 129 -3.314 2.608 2.556 1.00 2.20 H new HETATM 0 H141 OLA A 129 -5.009 2.407 2.161 1.00 2.20 H new HETATM 0 H132 OLA A 129 -5.278 4.030 3.753 1.00 1.80 H new HETATM 0 H131 OLA A 129 -4.972 5.101 2.400 1.00 1.80 H new HETATM 0 H122 OLA A 129 -2.438 4.237 3.497 1.00 1.25 H new HETATM 0 H121 OLA A 129 -3.451 4.817 4.804 1.00 1.25 H new HETATM 0 H112 OLA A 129 -2.418 6.795 4.086 1.00 1.04 H new HETATM 0 H111 OLA A 129 -3.940 6.857 3.220 1.00 1.04 H new HETATM 0 HO2 OLA A 129 0.070 0.948 1.066 1.00 2.88 H new HETATM 0 H9 OLA A 129 -0.396 6.194 1.068 1.00 1.46 H new HETATM 0 H82 OLA A 129 -0.636 5.274 3.882 1.00 1.59 H new HETATM 0 H81 OLA A 129 -0.124 6.948 3.792 1.00 1.59 H new HETATM 0 H72 OLA A 129 1.952 5.940 3.649 1.00 1.40 H new HETATM 0 H71 OLA A 129 1.557 5.987 1.942 1.00 1.40 H new HETATM 0 H62 OLA A 129 0.376 3.605 3.007 1.00 1.29 H new HETATM 0 H61 OLA A 129 2.012 3.687 3.630 1.00 1.29 H new HETATM 0 H52 OLA A 129 2.604 4.314 1.106 1.00 1.27 H new HETATM 0 H51 OLA A 129 1.077 3.521 0.771 1.00 1.27 H new HETATM 0 H42 OLA A 129 1.952 1.550 2.186 1.00 1.30 H new HETATM 0 H41 OLA A 129 3.520 2.331 2.131 1.00 1.30 H new HETATM 0 H32 OLA A 129 3.887 1.711 -0.022 1.00 1.51 H new HETATM 0 H31 OLA A 129 2.272 2.171 -0.526 1.00 1.51 H new HETATM 0 H22 OLA A 129 2.623 -0.307 1.152 1.00 1.83 H new HETATM 0 H21 OLA A 129 3.049 -0.371 -0.547 1.00 1.83 H new HETATM 0 H10 OLA A 129 -2.849 6.441 1.135 1.00 1.19 H new