USER MOD reduce.3.24.130724 H: found=0, std=0, add=984, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 984 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 GLN : amide:sc= -1.94! C(o=-2!,f=-5!) USER MOD Set 1.2: A 115 GLN :FLIP amide:sc= -0.0855 F(o=-3.7!,f=-2) USER MOD Set 2.1: A 51 THR OG1 : rot -165:sc= 0.595 USER MOD Set 2.2: A 76 LYS NZ :NH3+ -176:sc= 0.316 (180deg=-0.274) USER MOD Set 3.1: A 53 LYS NZ :NH3+ 175:sc= 1.91 (180deg=0.949) USER MOD Set 3.2: A 56 TYR OH : rot -47:sc= 0.63 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.16 (180deg=-0.661) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00807 (180deg=-0.267) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -3.7! C(o=-12!,f=-3.7!) USER MOD Single : A 19 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.018) USER MOD Single : A 20 LYS NZ :NH3+ -123:sc= -1.92 (180deg=-4.16!) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.165 F(o=-1.5!,f=-0.16) USER MOD Single : A 26 ASN : amide:sc= 1.08 K(o=1.1,f=-0.19) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.375 K(o=0.37,f=-0.25) USER MOD Single : A 42 SER OG : rot -47:sc= 0.207 USER MOD Single : A 43 GLN : amide:sc= -0.045 K(o=-0.045,f=-0.62) USER MOD Single : A 44 ASN : amide:sc= -0.327! X(o=-0.33!,f=-0.32) USER MOD Single : A 47 SER OG : rot 148:sc= 0.524 USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= -2.9! (180deg=-3.38!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 158:sc= -4.28! (180deg=-6.35!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.118 F(o=-1.4!,f=-0.12) USER MOD Single : A 81 ASN :FLIP amide:sc= -2.72! C(o=-4.8!,f=-2.7!) USER MOD Single : A 85 MET CE :methyl 170:sc= -7.84! (180deg=-8.22!) USER MOD Single : A 86 THR OG1 : rot -87:sc= 0.568 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.626 USER MOD Single : A 90 HIS : no HE2:sc= -2.74! C(o=-2.7!,f=-4.9!) USER MOD Single : A 92 GLN : amide:sc= 0.592 K(o=0.59,f=-3.7!) USER MOD Single : A 95 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00587) USER MOD Single : A 98 THR OG1 : rot 79:sc= 0.00658 USER MOD Single : A 99 LYS NZ :NH3+ 165:sc= 1.33 (180deg=1.14) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 74:sc= 1.05 USER MOD Single : A 112 GLN : amide:sc= -1.02! C(o=-1!,f=-3.8!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0526) USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 120 GLN : amide:sc= -1.27 K(o=-1.3,f=-2) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl -160:sc= -0.147 (180deg=-0.623) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.987 11.985 -6.547 1.00 13.16 N ATOM 2 CA MET A 1 -23.901 12.001 -5.068 1.00 12.75 C ATOM 3 C MET A 1 -24.744 10.888 -4.458 1.00 11.77 C ATOM 4 O MET A 1 -24.323 10.231 -3.507 1.00 11.66 O ATOM 5 CB MET A 1 -24.371 13.351 -4.520 1.00 13.22 C ATOM 6 CG MET A 1 -23.486 14.517 -4.918 1.00 13.51 C ATOM 7 SD MET A 1 -24.110 16.107 -4.332 1.00 14.33 S ATOM 8 CE MET A 1 -24.121 15.835 -2.562 1.00 14.09 C ATOM 0 H1 MET A 1 -23.257 12.610 -6.944 1.00 13.16 H new ATOM 0 H2 MET A 1 -23.838 11.016 -6.893 1.00 13.16 H new ATOM 0 H3 MET A 1 -24.926 12.318 -6.844 1.00 13.16 H new ATOM 0 HA MET A 1 -22.858 11.841 -4.795 1.00 12.75 H new ATOM 0 HB2 MET A 1 -25.385 13.541 -4.871 1.00 13.22 H new ATOM 0 HB3 MET A 1 -24.415 13.295 -3.432 1.00 13.22 H new ATOM 0 HG2 MET A 1 -22.484 14.357 -4.521 1.00 13.51 H new ATOM 0 HG3 MET A 1 -23.398 14.545 -6.004 1.00 13.51 H new ATOM 0 HE1 MET A 1 -24.169 16.794 -2.047 1.00 14.09 H new ATOM 0 HE2 MET A 1 -24.989 15.234 -2.292 1.00 14.09 H new ATOM 0 HE3 MET A 1 -23.212 15.310 -2.269 1.00 14.09 H new ATOM 20 N SER A 2 -25.934 10.684 -5.017 1.00 11.22 N ATOM 21 CA SER A 2 -26.880 9.697 -4.512 1.00 10.40 C ATOM 22 C SER A 2 -26.287 8.289 -4.537 1.00 9.51 C ATOM 23 O SER A 2 -26.424 7.529 -3.576 1.00 9.43 O ATOM 24 CB SER A 2 -28.169 9.741 -5.342 1.00 10.47 C ATOM 25 OG SER A 2 -29.172 8.906 -4.789 1.00 10.65 O ATOM 0 H SER A 2 -26.268 11.198 -5.832 1.00 11.22 H new ATOM 0 HA SER A 2 -27.106 9.944 -3.475 1.00 10.40 H new ATOM 0 HB2 SER A 2 -28.535 10.766 -5.393 1.00 10.47 H new ATOM 0 HB3 SER A 2 -27.956 9.427 -6.364 1.00 10.47 H new ATOM 0 HG SER A 2 -29.981 8.957 -5.340 1.00 10.65 H new ATOM 31 N TYR A 3 -25.630 7.941 -5.634 1.00 9.03 N ATOM 32 CA TYR A 3 -25.051 6.617 -5.786 1.00 8.37 C ATOM 33 C TYR A 3 -23.530 6.691 -5.742 1.00 7.38 C ATOM 34 O TYR A 3 -22.898 7.289 -6.613 1.00 7.50 O ATOM 35 CB TYR A 3 -25.517 5.976 -7.101 1.00 9.00 C ATOM 36 CG TYR A 3 -25.000 4.569 -7.302 1.00 8.73 C ATOM 37 CD1 TYR A 3 -25.370 3.535 -6.447 1.00 8.90 C ATOM 38 CD2 TYR A 3 -24.143 4.275 -8.351 1.00 8.58 C ATOM 39 CE1 TYR A 3 -24.905 2.248 -6.643 1.00 8.95 C ATOM 40 CE2 TYR A 3 -23.673 2.994 -8.553 1.00 8.64 C ATOM 41 CZ TYR A 3 -24.048 1.979 -7.647 1.00 8.84 C ATOM 42 OH TYR A 3 -23.590 0.703 -7.899 1.00 9.19 O ATOM 0 H TYR A 3 -25.485 8.559 -6.432 1.00 9.03 H new ATOM 0 HA TYR A 3 -25.391 5.996 -4.957 1.00 8.37 H new ATOM 0 HB2 TYR A 3 -26.607 5.961 -7.123 1.00 9.00 H new ATOM 0 HB3 TYR A 3 -25.190 6.597 -7.935 1.00 9.00 H new ATOM 0 HD1 TYR A 3 -26.030 3.741 -5.618 1.00 8.90 H new ATOM 0 HD2 TYR A 3 -23.838 5.064 -9.023 1.00 8.58 H new ATOM 0 HE1 TYR A 3 -25.231 1.454 -5.988 1.00 8.95 H new ATOM 0 HE2 TYR A 3 -23.029 2.771 -9.391 1.00 8.64 H new ATOM 0 HH TYR A 3 -22.981 0.720 -8.667 1.00 9.19 H new ATOM 52 N ILE A 4 -22.952 6.094 -4.708 1.00 6.65 N ATOM 53 CA ILE A 4 -21.509 6.027 -4.572 1.00 5.84 C ATOM 54 C ILE A 4 -21.016 4.598 -4.781 1.00 5.70 C ATOM 55 O ILE A 4 -21.147 3.744 -3.902 1.00 5.57 O ATOM 56 CB ILE A 4 -21.037 6.561 -3.199 1.00 5.26 C ATOM 57 CG1 ILE A 4 -21.901 5.990 -2.064 1.00 5.59 C ATOM 58 CG2 ILE A 4 -21.070 8.086 -3.188 1.00 5.75 C ATOM 59 CD1 ILE A 4 -21.489 6.464 -0.689 1.00 5.82 C ATOM 0 H ILE A 4 -23.467 5.648 -3.949 1.00 6.65 H new ATOM 0 HA ILE A 4 -21.079 6.667 -5.343 1.00 5.84 H new ATOM 0 HB ILE A 4 -20.010 6.234 -3.035 1.00 5.26 H new ATOM 0 HG12 ILE A 4 -22.941 6.266 -2.237 1.00 5.59 H new ATOM 0 HG13 ILE A 4 -21.851 4.902 -2.094 1.00 5.59 H new ATOM 0 HG21 ILE A 4 -20.736 8.450 -2.217 1.00 5.75 H new ATOM 0 HG22 ILE A 4 -20.410 8.470 -3.966 1.00 5.75 H new ATOM 0 HG23 ILE A 4 -22.088 8.429 -3.374 1.00 5.75 H new ATOM 0 HD11 ILE A 4 -22.144 6.020 0.060 1.00 5.82 H new ATOM 0 HD12 ILE A 4 -20.459 6.165 -0.494 1.00 5.82 H new ATOM 0 HD13 ILE A 4 -21.566 7.550 -0.640 1.00 5.82 H new ATOM 71 N PRO A 5 -20.469 4.320 -5.976 1.00 6.16 N ATOM 72 CA PRO A 5 -19.997 2.981 -6.352 1.00 6.54 C ATOM 73 C PRO A 5 -18.804 2.534 -5.518 1.00 6.19 C ATOM 74 O PRO A 5 -17.687 3.020 -5.703 1.00 6.51 O ATOM 75 CB PRO A 5 -19.595 3.130 -7.828 1.00 7.37 C ATOM 76 CG PRO A 5 -20.214 4.410 -8.276 1.00 7.46 C ATOM 77 CD PRO A 5 -20.269 5.287 -7.061 1.00 6.75 C ATOM 0 HA PRO A 5 -20.763 2.224 -6.186 1.00 6.54 H new ATOM 0 HB2 PRO A 5 -18.511 3.157 -7.940 1.00 7.37 H new ATOM 0 HB3 PRO A 5 -19.956 2.290 -8.421 1.00 7.37 H new ATOM 0 HG2 PRO A 5 -19.624 4.874 -9.066 1.00 7.46 H new ATOM 0 HG3 PRO A 5 -21.212 4.241 -8.681 1.00 7.46 H new ATOM 0 HD2 PRO A 5 -19.349 5.857 -6.931 1.00 6.75 H new ATOM 0 HD3 PRO A 5 -21.085 6.007 -7.118 1.00 6.75 H new ATOM 85 N GLY A 6 -19.055 1.624 -4.588 1.00 5.88 N ATOM 86 CA GLY A 6 -17.998 1.118 -3.734 1.00 5.89 C ATOM 87 C GLY A 6 -17.954 1.820 -2.390 1.00 5.07 C ATOM 88 O GLY A 6 -17.490 1.246 -1.407 1.00 5.32 O ATOM 0 H GLY A 6 -19.976 1.225 -4.408 1.00 5.88 H new ATOM 0 HA2 GLY A 6 -18.141 0.049 -3.578 1.00 5.89 H new ATOM 0 HA3 GLY A 6 -17.039 1.241 -4.237 1.00 5.89 H new ATOM 92 N GLN A 7 -18.469 3.054 -2.360 1.00 4.35 N ATOM 93 CA GLN A 7 -18.444 3.915 -1.168 1.00 3.71 C ATOM 94 C GLN A 7 -17.028 4.401 -0.858 1.00 2.97 C ATOM 95 O GLN A 7 -16.144 3.615 -0.517 1.00 3.13 O ATOM 96 CB GLN A 7 -19.040 3.216 0.060 1.00 4.33 C ATOM 97 CG GLN A 7 -20.519 2.902 -0.072 1.00 5.04 C ATOM 98 CD GLN A 7 -21.097 2.290 1.189 1.00 5.77 C ATOM 99 OE1 GLN A 7 -21.107 1.068 1.357 1.00 6.37 O ATOM 100 NE2 GLN A 7 -21.579 3.133 2.090 1.00 6.03 N ATOM 0 H GLN A 7 -18.918 3.488 -3.166 1.00 4.35 H new ATOM 0 HA GLN A 7 -19.066 4.780 -1.399 1.00 3.71 H new ATOM 0 HB2 GLN A 7 -18.496 2.289 0.239 1.00 4.33 H new ATOM 0 HB3 GLN A 7 -18.889 3.848 0.935 1.00 4.33 H new ATOM 0 HG2 GLN A 7 -21.062 3.817 -0.310 1.00 5.04 H new ATOM 0 HG3 GLN A 7 -20.669 2.217 -0.906 1.00 5.04 H new ATOM 0 HE21 GLN A 7 -21.553 4.137 1.914 1.00 6.03 H new ATOM 0 HE22 GLN A 7 -21.976 2.778 2.960 1.00 6.03 H new ATOM 109 N PRO A 8 -16.793 5.714 -0.991 1.00 2.60 N ATOM 110 CA PRO A 8 -15.507 6.324 -0.693 1.00 2.22 C ATOM 111 C PRO A 8 -15.398 6.757 0.770 1.00 1.55 C ATOM 112 O PRO A 8 -16.380 6.701 1.514 1.00 1.98 O ATOM 113 CB PRO A 8 -15.480 7.551 -1.619 1.00 2.90 C ATOM 114 CG PRO A 8 -16.873 7.717 -2.156 1.00 3.40 C ATOM 115 CD PRO A 8 -17.749 6.720 -1.450 1.00 3.12 C ATOM 0 HA PRO A 8 -14.678 5.634 -0.849 1.00 2.22 H new ATOM 0 HB2 PRO A 8 -15.167 8.441 -1.073 1.00 2.90 H new ATOM 0 HB3 PRO A 8 -14.767 7.408 -2.431 1.00 2.90 H new ATOM 0 HG2 PRO A 8 -17.232 8.732 -1.985 1.00 3.40 H new ATOM 0 HG3 PRO A 8 -16.892 7.549 -3.233 1.00 3.40 H new ATOM 0 HD2 PRO A 8 -18.289 7.174 -0.619 1.00 3.12 H new ATOM 0 HD3 PRO A 8 -18.495 6.292 -2.119 1.00 3.12 H new ATOM 123 N VAL A 9 -14.201 7.189 1.167 1.00 1.36 N ATOM 124 CA VAL A 9 -13.933 7.696 2.511 1.00 1.13 C ATOM 125 C VAL A 9 -13.973 6.591 3.558 1.00 1.01 C ATOM 126 O VAL A 9 -12.934 6.236 4.125 1.00 1.07 O ATOM 127 CB VAL A 9 -14.903 8.839 2.900 1.00 1.61 C ATOM 128 CG1 VAL A 9 -14.610 9.341 4.305 1.00 2.08 C ATOM 129 CG2 VAL A 9 -14.820 9.981 1.895 1.00 2.26 C ATOM 0 H VAL A 9 -13.383 7.197 0.558 1.00 1.36 H new ATOM 0 HA VAL A 9 -12.921 8.101 2.488 1.00 1.13 H new ATOM 0 HB VAL A 9 -15.918 8.442 2.885 1.00 1.61 H new ATOM 0 HG11 VAL A 9 -15.303 10.143 4.557 1.00 2.08 H new ATOM 0 HG12 VAL A 9 -14.728 8.523 5.016 1.00 2.08 H new ATOM 0 HG13 VAL A 9 -13.588 9.717 4.351 1.00 2.08 H new ATOM 0 HG21 VAL A 9 -15.509 10.773 2.187 1.00 2.26 H new ATOM 0 HG22 VAL A 9 -13.803 10.374 1.874 1.00 2.26 H new ATOM 0 HG23 VAL A 9 -15.088 9.614 0.904 1.00 2.26 H new ATOM 139 N THR A 10 -15.148 6.038 3.805 1.00 1.00 N ATOM 140 CA THR A 10 -15.302 5.032 4.834 1.00 1.07 C ATOM 141 C THR A 10 -14.797 3.684 4.352 1.00 0.92 C ATOM 142 O THR A 10 -15.524 2.819 3.864 1.00 0.99 O ATOM 143 CB THR A 10 -16.744 4.963 5.339 1.00 1.30 C ATOM 144 OG1 THR A 10 -16.907 3.936 6.327 1.00 2.09 O ATOM 145 CG2 THR A 10 -17.708 4.753 4.192 1.00 1.90 C ATOM 0 H THR A 10 -16.007 6.270 3.306 1.00 1.00 H new ATOM 0 HA THR A 10 -14.687 5.322 5.686 1.00 1.07 H new ATOM 0 HB THR A 10 -16.971 5.919 5.811 1.00 1.30 H new ATOM 0 HG1 THR A 10 -17.839 3.919 6.630 1.00 2.09 H new ATOM 0 HG21 THR A 10 -18.727 4.707 4.577 1.00 1.90 H new ATOM 0 HG22 THR A 10 -17.623 5.581 3.489 1.00 1.90 H new ATOM 0 HG23 THR A 10 -17.470 3.819 3.683 1.00 1.90 H new ATOM 153 N ALA A 11 -13.504 3.573 4.467 1.00 0.83 N ATOM 154 CA ALA A 11 -12.768 2.389 4.084 1.00 0.74 C ATOM 155 C ALA A 11 -12.214 1.684 5.313 1.00 0.77 C ATOM 156 O ALA A 11 -12.365 2.158 6.436 1.00 0.96 O ATOM 157 CB ALA A 11 -11.645 2.771 3.137 1.00 0.70 C ATOM 0 H ALA A 11 -12.913 4.317 4.838 1.00 0.83 H new ATOM 0 HA ALA A 11 -13.443 1.701 3.575 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -11.092 1.877 2.850 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -12.064 3.240 2.247 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.972 3.470 3.634 1.00 0.70 H new ATOM 163 N VAL A 12 -11.554 0.568 5.089 1.00 0.65 N ATOM 164 CA VAL A 12 -11.033 -0.256 6.170 1.00 0.72 C ATOM 165 C VAL A 12 -9.511 -0.218 6.183 1.00 0.54 C ATOM 166 O VAL A 12 -8.864 -0.631 5.225 1.00 0.54 O ATOM 167 CB VAL A 12 -11.495 -1.724 6.034 1.00 0.89 C ATOM 168 CG1 VAL A 12 -10.913 -2.580 7.151 1.00 1.57 C ATOM 169 CG2 VAL A 12 -13.014 -1.813 6.023 1.00 1.38 C ATOM 0 H VAL A 12 -11.361 0.203 4.156 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.422 0.152 7.103 1.00 0.72 H new ATOM 0 HB VAL A 12 -11.125 -2.109 5.084 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -11.252 -3.609 7.035 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -9.824 -2.549 7.104 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -11.246 -2.195 8.115 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -13.317 -2.856 5.926 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -13.409 -1.405 6.953 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -13.406 -1.242 5.181 1.00 1.38 H new ATOM 179 N VAL A 13 -8.938 0.275 7.265 1.00 0.52 N ATOM 180 CA VAL A 13 -7.490 0.330 7.383 1.00 0.44 C ATOM 181 C VAL A 13 -6.948 -1.061 7.696 1.00 0.41 C ATOM 182 O VAL A 13 -7.179 -1.609 8.777 1.00 0.50 O ATOM 183 CB VAL A 13 -7.053 1.319 8.478 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.542 1.464 8.509 1.00 0.90 C ATOM 185 CG2 VAL A 13 -7.711 2.674 8.270 1.00 1.02 C ATOM 0 H VAL A 13 -9.447 0.641 8.070 1.00 0.52 H new ATOM 0 HA VAL A 13 -7.085 0.679 6.433 1.00 0.44 H new ATOM 0 HB VAL A 13 -7.376 0.920 9.439 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.260 2.168 9.292 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -5.088 0.494 8.713 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -5.192 1.833 7.545 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -7.389 3.359 9.054 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -7.422 3.074 7.298 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -8.795 2.562 8.308 1.00 1.02 H new ATOM 195 N GLN A 14 -6.239 -1.631 6.746 1.00 0.37 N ATOM 196 CA GLN A 14 -5.822 -3.026 6.847 1.00 0.40 C ATOM 197 C GLN A 14 -4.301 -3.176 6.853 1.00 0.32 C ATOM 198 O GLN A 14 -3.571 -2.231 6.557 1.00 0.41 O ATOM 199 CB GLN A 14 -6.447 -3.846 5.715 1.00 0.51 C ATOM 200 CG GLN A 14 -5.861 -3.614 4.336 1.00 0.53 C ATOM 201 CD GLN A 14 -4.921 -4.726 3.932 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.644 -4.541 4.205 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -5.343 -5.733 3.371 1.00 0.55 N flip ATOM 0 H GLN A 14 -5.936 -1.158 5.895 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.180 -3.409 7.803 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -6.347 -4.904 5.959 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.514 -3.627 5.678 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -6.667 -3.537 3.607 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.327 -2.664 4.323 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -6.340 -5.831 3.181 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -4.696 -6.472 3.095 1.00 0.55 H new ATOM 212 N ARG A 15 -3.827 -4.382 7.161 1.00 0.32 N ATOM 213 CA ARG A 15 -2.404 -4.635 7.303 1.00 0.39 C ATOM 214 C ARG A 15 -1.927 -5.756 6.390 1.00 0.33 C ATOM 215 O ARG A 15 -2.376 -6.894 6.498 1.00 0.55 O ATOM 216 CB ARG A 15 -2.082 -4.971 8.754 1.00 0.70 C ATOM 217 CG ARG A 15 -1.709 -3.751 9.562 1.00 0.75 C ATOM 218 CD ARG A 15 -0.381 -3.191 9.089 1.00 1.44 C ATOM 219 NE ARG A 15 0.752 -3.987 9.578 1.00 2.26 N ATOM 220 CZ ARG A 15 1.684 -3.529 10.417 1.00 2.85 C ATOM 221 NH1 ARG A 15 1.632 -2.275 10.849 1.00 2.98 N ATOM 222 NH2 ARG A 15 2.676 -4.322 10.823 1.00 3.63 N ATOM 0 H ARG A 15 -4.416 -5.200 7.317 1.00 0.32 H new ATOM 0 HA ARG A 15 -1.876 -3.728 7.008 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -2.945 -5.456 9.211 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -1.261 -5.687 8.784 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -2.486 -2.992 9.467 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -1.646 -4.012 10.618 1.00 0.75 H new ATOM 0 HD2 ARG A 15 -0.364 -3.166 7.999 1.00 1.44 H new ATOM 0 HD3 ARG A 15 -0.277 -2.162 9.433 1.00 1.44 H new ATOM 0 HE ARG A 15 0.832 -4.952 9.256 1.00 2.26 H new ATOM 0 HH11 ARG A 15 0.879 -1.660 10.540 1.00 2.98 H new ATOM 0 HH12 ARG A 15 2.345 -1.926 11.490 1.00 2.98 H new ATOM 0 HH21 ARG A 15 2.726 -5.286 10.492 1.00 3.63 H new ATOM 0 HH22 ARG A 15 3.384 -3.965 11.464 1.00 3.63 H new ATOM 236 N VAL A 16 -1.024 -5.413 5.485 1.00 0.25 N ATOM 237 CA VAL A 16 -0.345 -6.382 4.667 1.00 0.30 C ATOM 238 C VAL A 16 1.096 -6.476 5.138 1.00 0.26 C ATOM 239 O VAL A 16 1.819 -5.482 5.161 1.00 0.40 O ATOM 240 CB VAL A 16 -0.400 -6.003 3.161 1.00 0.51 C ATOM 241 CG1 VAL A 16 0.688 -6.699 2.359 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.760 -6.343 2.576 1.00 0.64 C ATOM 0 H VAL A 16 -0.747 -4.448 5.303 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.842 -7.347 4.769 1.00 0.30 H new ATOM 0 HB VAL A 16 -0.232 -4.928 3.095 1.00 0.51 H new ATOM 0 HG11 VAL A 16 0.612 -6.406 1.312 1.00 1.02 H new ATOM 0 HG12 VAL A 16 1.666 -6.412 2.747 1.00 1.02 H new ATOM 0 HG13 VAL A 16 0.567 -7.779 2.443 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -1.781 -6.071 1.521 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.943 -7.413 2.679 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -2.534 -5.790 3.108 1.00 0.64 H new ATOM 252 N GLU A 17 1.486 -7.654 5.567 1.00 0.22 N ATOM 253 CA GLU A 17 2.831 -7.887 6.051 1.00 0.25 C ATOM 254 C GLU A 17 3.370 -9.148 5.414 1.00 0.24 C ATOM 255 O GLU A 17 2.849 -10.240 5.644 1.00 0.28 O ATOM 256 CB GLU A 17 2.820 -7.996 7.575 1.00 0.33 C ATOM 257 CG GLU A 17 4.169 -8.324 8.185 1.00 0.44 C ATOM 258 CD GLU A 17 4.231 -7.955 9.652 1.00 0.75 C ATOM 259 OE1 GLU A 17 3.490 -7.038 10.069 1.00 1.35 O ATOM 260 OE2 GLU A 17 5.020 -8.585 10.396 1.00 1.31 O ATOM 0 H GLU A 17 0.884 -8.477 5.591 1.00 0.22 H new ATOM 0 HA GLU A 17 3.480 -7.054 5.780 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.464 -7.054 7.993 1.00 0.33 H new ATOM 0 HB3 GLU A 17 2.105 -8.765 7.868 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.370 -9.389 8.070 1.00 0.44 H new ATOM 0 HG3 GLU A 17 4.951 -7.792 7.644 1.00 0.44 H new ATOM 267 N ILE A 18 4.396 -9.011 4.590 1.00 0.24 N ATOM 268 CA ILE A 18 4.877 -10.136 3.842 1.00 0.24 C ATOM 269 C ILE A 18 6.394 -10.121 3.891 1.00 0.27 C ATOM 270 O ILE A 18 7.012 -9.060 3.847 1.00 0.33 O ATOM 271 CB ILE A 18 4.330 -10.081 2.389 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.112 -11.486 1.807 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.223 -9.251 1.478 1.00 0.27 C ATOM 274 CD1 ILE A 18 5.347 -12.347 1.726 1.00 0.61 C ATOM 0 H ILE A 18 4.900 -8.138 4.430 1.00 0.24 H new ATOM 0 HA ILE A 18 4.525 -11.073 4.273 1.00 0.24 H new ATOM 0 HB ILE A 18 3.359 -9.588 2.440 1.00 0.24 H new ATOM 0 HG12 ILE A 18 3.368 -12.002 2.414 1.00 0.34 H new ATOM 0 HG13 ILE A 18 3.692 -11.386 0.806 1.00 0.34 H new ATOM 0 HG21 ILE A 18 4.805 -9.238 0.472 1.00 0.27 H new ATOM 0 HG22 ILE A 18 5.284 -8.231 1.859 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.221 -9.688 1.450 1.00 0.27 H new ATOM 0 HD11 ILE A 18 5.087 -13.317 1.302 1.00 0.61 H new ATOM 0 HD12 ILE A 18 6.088 -11.861 1.092 1.00 0.61 H new ATOM 0 HD13 ILE A 18 5.760 -12.486 2.725 1.00 0.61 H new ATOM 286 N HIS A 19 6.986 -11.280 4.067 1.00 0.30 N ATOM 287 CA HIS A 19 8.423 -11.377 4.131 1.00 0.33 C ATOM 288 C HIS A 19 9.036 -11.015 2.793 1.00 0.35 C ATOM 289 O HIS A 19 8.787 -11.682 1.791 1.00 0.40 O ATOM 290 CB HIS A 19 8.841 -12.769 4.586 1.00 0.39 C ATOM 291 CG HIS A 19 8.627 -12.986 6.053 1.00 0.44 C ATOM 292 ND1 HIS A 19 9.604 -13.469 6.887 1.00 0.54 N ATOM 293 CD2 HIS A 19 7.545 -12.760 6.838 1.00 0.46 C ATOM 294 CE1 HIS A 19 9.137 -13.539 8.118 1.00 0.60 C ATOM 295 NE2 HIS A 19 7.887 -13.113 8.119 1.00 0.56 N ATOM 0 H HIS A 19 6.493 -12.167 4.168 1.00 0.30 H new ATOM 0 HA HIS A 19 8.795 -10.665 4.867 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.276 -13.515 4.026 1.00 0.39 H new ATOM 0 HB3 HIS A 19 9.894 -12.923 4.350 1.00 0.39 H new ATOM 0 HD2 HIS A 19 6.590 -12.373 6.515 1.00 0.46 H new ATOM 0 HE1 HIS A 19 9.685 -13.887 8.981 1.00 0.60 H new ATOM 0 HE2 HIS A 19 7.278 -13.056 8.935 1.00 0.56 H new ATOM 304 N LYS A 20 9.770 -9.900 2.810 1.00 0.34 N ATOM 305 CA LYS A 20 10.485 -9.359 1.643 1.00 0.36 C ATOM 306 C LYS A 20 10.894 -10.446 0.639 1.00 0.36 C ATOM 307 O LYS A 20 11.421 -11.494 1.023 1.00 0.42 O ATOM 308 CB LYS A 20 11.717 -8.550 2.124 1.00 0.40 C ATOM 309 CG LYS A 20 12.802 -9.342 2.857 1.00 1.42 C ATOM 310 CD LYS A 20 13.808 -9.971 1.900 1.00 2.33 C ATOM 311 CE LYS A 20 15.091 -10.388 2.610 1.00 3.13 C ATOM 312 NZ LYS A 20 14.837 -11.216 3.819 1.00 4.00 N ATOM 0 H LYS A 20 9.889 -9.334 3.650 1.00 0.34 H new ATOM 0 HA LYS A 20 9.801 -8.700 1.109 1.00 0.36 H new ATOM 0 HB2 LYS A 20 12.171 -8.069 1.257 1.00 0.40 H new ATOM 0 HB3 LYS A 20 11.369 -7.755 2.784 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.326 -8.682 3.548 1.00 1.42 H new ATOM 0 HG3 LYS A 20 12.335 -10.124 3.455 1.00 1.42 H new ATOM 0 HD2 LYS A 20 13.358 -10.842 1.423 1.00 2.33 H new ATOM 0 HD3 LYS A 20 14.047 -9.261 1.108 1.00 2.33 H new ATOM 0 HE2 LYS A 20 15.719 -10.948 1.917 1.00 3.13 H new ATOM 0 HE3 LYS A 20 15.649 -9.496 2.896 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 15.270 -10.762 4.648 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 13.812 -11.305 3.969 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 15.251 -12.161 3.686 1.00 4.00 H new ATOM 326 N LEU A 21 10.683 -10.195 -0.657 1.00 0.33 N ATOM 327 CA LEU A 21 10.960 -11.222 -1.649 1.00 0.37 C ATOM 328 C LEU A 21 12.337 -10.995 -2.236 1.00 0.41 C ATOM 329 O LEU A 21 12.519 -10.254 -3.201 1.00 0.45 O ATOM 330 CB LEU A 21 9.901 -11.263 -2.755 1.00 0.38 C ATOM 331 CG LEU A 21 10.020 -12.449 -3.717 1.00 0.45 C ATOM 332 CD1 LEU A 21 9.874 -13.763 -2.966 1.00 0.55 C ATOM 333 CD2 LEU A 21 8.979 -12.348 -4.821 1.00 0.48 C ATOM 0 H LEU A 21 10.331 -9.313 -1.030 1.00 0.33 H new ATOM 0 HA LEU A 21 10.928 -12.190 -1.150 1.00 0.37 H new ATOM 0 HB2 LEU A 21 8.914 -11.286 -2.293 1.00 0.38 H new ATOM 0 HB3 LEU A 21 9.962 -10.339 -3.331 1.00 0.38 H new ATOM 0 HG LEU A 21 11.009 -12.422 -4.174 1.00 0.45 H new ATOM 0 HD11 LEU A 21 9.961 -14.594 -3.666 1.00 0.55 H new ATOM 0 HD12 LEU A 21 10.657 -13.840 -2.212 1.00 0.55 H new ATOM 0 HD13 LEU A 21 8.899 -13.798 -2.481 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.079 -13.199 -5.494 1.00 0.48 H new ATOM 0 HD22 LEU A 21 7.981 -12.348 -4.382 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.129 -11.424 -5.379 1.00 0.48 H new ATOM 345 N ARG A 22 13.301 -11.617 -1.589 1.00 0.51 N ATOM 346 CA ARG A 22 14.697 -11.511 -1.962 1.00 0.61 C ATOM 347 C ARG A 22 14.939 -12.059 -3.363 1.00 0.60 C ATOM 348 O ARG A 22 14.446 -13.128 -3.724 1.00 0.66 O ATOM 349 CB ARG A 22 15.584 -12.248 -0.945 1.00 0.88 C ATOM 350 CG ARG A 22 15.423 -13.770 -0.935 1.00 1.19 C ATOM 351 CD ARG A 22 14.017 -14.209 -0.543 1.00 1.94 C ATOM 352 NE ARG A 22 13.934 -15.650 -0.318 1.00 2.47 N ATOM 353 CZ ARG A 22 12.930 -16.426 -0.722 1.00 3.28 C ATOM 354 NH1 ARG A 22 11.930 -15.920 -1.437 1.00 3.78 N ATOM 355 NH2 ARG A 22 12.933 -17.715 -0.415 1.00 3.97 N ATOM 0 H ARG A 22 13.136 -12.217 -0.781 1.00 0.51 H new ATOM 0 HA ARG A 22 14.961 -10.453 -1.961 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.627 -12.009 -1.153 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.363 -11.867 0.052 1.00 0.88 H new ATOM 0 HG2 ARG A 22 15.660 -14.163 -1.924 1.00 1.19 H new ATOM 0 HG3 ARG A 22 16.142 -14.203 -0.239 1.00 1.19 H new ATOM 0 HD2 ARG A 22 13.713 -13.683 0.362 1.00 1.94 H new ATOM 0 HD3 ARG A 22 13.317 -13.924 -1.328 1.00 1.94 H new ATOM 0 HE ARG A 22 14.702 -16.095 0.186 1.00 2.47 H new ATOM 0 HH11 ARG A 22 11.927 -14.930 -1.681 1.00 3.78 H new ATOM 0 HH12 ARG A 22 11.165 -16.522 -1.742 1.00 3.78 H new ATOM 0 HH21 ARG A 22 13.702 -18.108 0.128 1.00 3.97 H new ATOM 0 HH22 ARG A 22 12.167 -18.314 -0.722 1.00 3.97 H new ATOM 369 N GLN A 23 15.672 -11.299 -4.150 1.00 0.68 N ATOM 370 CA GLN A 23 16.107 -11.735 -5.455 1.00 0.81 C ATOM 371 C GLN A 23 17.579 -11.413 -5.611 1.00 0.93 C ATOM 372 O GLN A 23 17.920 -10.297 -5.996 1.00 1.02 O ATOM 373 CB GLN A 23 15.335 -11.002 -6.545 1.00 0.90 C ATOM 374 CG GLN A 23 15.155 -11.832 -7.791 1.00 1.04 C ATOM 375 CD GLN A 23 14.170 -12.971 -7.596 1.00 0.92 C ATOM 376 OE1 GLN A 23 13.158 -12.750 -6.769 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 14.308 -14.038 -8.192 1.00 0.69 N flip ATOM 0 H GLN A 23 15.982 -10.360 -3.900 1.00 0.68 H new ATOM 0 HA GLN A 23 15.931 -12.807 -5.548 1.00 0.81 H new ATOM 0 HB2 GLN A 23 14.356 -10.715 -6.160 1.00 0.90 H new ATOM 0 HB3 GLN A 23 15.860 -10.081 -6.800 1.00 0.90 H new ATOM 0 HG2 GLN A 23 14.809 -11.192 -8.603 1.00 1.04 H new ATOM 0 HG3 GLN A 23 16.120 -12.239 -8.095 1.00 1.04 H new ATOM 0 HE21 GLN A 23 15.100 -14.172 -8.821 1.00 0.69 H new ATOM 0 HE22 GLN A 23 13.631 -14.789 -8.057 1.00 0.69 H new ATOM 386 N GLY A 24 18.438 -12.371 -5.308 1.00 1.03 N ATOM 387 CA GLY A 24 19.865 -12.126 -5.341 1.00 1.19 C ATOM 388 C GLY A 24 20.290 -11.141 -4.275 1.00 1.23 C ATOM 389 O GLY A 24 20.769 -11.532 -3.210 1.00 1.33 O ATOM 0 H GLY A 24 18.173 -13.318 -5.039 1.00 1.03 H new ATOM 0 HA2 GLY A 24 20.399 -13.066 -5.201 1.00 1.19 H new ATOM 0 HA3 GLY A 24 20.146 -11.743 -6.322 1.00 1.19 H new ATOM 393 N GLU A 25 20.091 -9.866 -4.559 1.00 1.27 N ATOM 394 CA GLU A 25 20.443 -8.804 -3.632 1.00 1.43 C ATOM 395 C GLU A 25 19.299 -7.816 -3.496 1.00 1.40 C ATOM 396 O GLU A 25 19.408 -6.822 -2.786 1.00 1.61 O ATOM 397 CB GLU A 25 21.673 -8.063 -4.130 1.00 1.67 C ATOM 398 CG GLU A 25 22.858 -8.965 -4.401 1.00 1.84 C ATOM 399 CD GLU A 25 23.988 -8.223 -5.071 1.00 2.03 C ATOM 400 OE1 GLU A 25 24.011 -8.167 -6.319 1.00 2.21 O ATOM 401 OE2 GLU A 25 24.851 -7.679 -4.357 1.00 2.33 O ATOM 0 H GLU A 25 19.683 -9.538 -5.434 1.00 1.27 H new ATOM 0 HA GLU A 25 20.650 -9.255 -2.662 1.00 1.43 H new ATOM 0 HB2 GLU A 25 21.418 -7.528 -5.045 1.00 1.67 H new ATOM 0 HB3 GLU A 25 21.959 -7.314 -3.391 1.00 1.67 H new ATOM 0 HG2 GLU A 25 23.211 -9.393 -3.463 1.00 1.84 H new ATOM 0 HG3 GLU A 25 22.545 -9.796 -5.033 1.00 1.84 H new ATOM 408 N ASN A 26 18.206 -8.092 -4.191 1.00 1.21 N ATOM 409 CA ASN A 26 17.113 -7.137 -4.285 1.00 1.23 C ATOM 410 C ASN A 26 15.918 -7.586 -3.467 1.00 1.05 C ATOM 411 O ASN A 26 15.871 -8.713 -2.969 1.00 1.06 O ATOM 412 CB ASN A 26 16.672 -6.970 -5.741 1.00 1.31 C ATOM 413 CG ASN A 26 17.835 -6.841 -6.698 1.00 1.39 C ATOM 414 OD1 ASN A 26 18.337 -5.748 -6.955 1.00 1.87 O ATOM 415 ND2 ASN A 26 18.265 -7.969 -7.238 1.00 1.33 N ATOM 0 H ASN A 26 18.053 -8.965 -4.696 1.00 1.21 H new ATOM 0 HA ASN A 26 17.479 -6.187 -3.894 1.00 1.23 H new ATOM 0 HB2 ASN A 26 16.063 -7.826 -6.031 1.00 1.31 H new ATOM 0 HB3 ASN A 26 16.040 -6.086 -5.825 1.00 1.31 H new ATOM 0 HD21 ASN A 26 19.043 -7.955 -7.897 1.00 1.33 H new ATOM 0 HD22 ASN A 26 17.818 -8.853 -6.996 1.00 1.33 H new ATOM 422 N LEU A 27 14.946 -6.702 -3.364 1.00 0.95 N ATOM 423 CA LEU A 27 13.696 -7.003 -2.707 1.00 0.82 C ATOM 424 C LEU A 27 12.559 -6.733 -3.663 1.00 0.71 C ATOM 425 O LEU A 27 12.408 -5.627 -4.179 1.00 0.81 O ATOM 426 CB LEU A 27 13.519 -6.172 -1.434 1.00 0.93 C ATOM 427 CG LEU A 27 12.067 -5.825 -1.082 1.00 1.28 C ATOM 428 CD1 LEU A 27 11.273 -7.060 -0.711 1.00 2.28 C ATOM 429 CD2 LEU A 27 12.023 -4.812 0.041 1.00 1.62 C ATOM 0 H LEU A 27 15.004 -5.754 -3.735 1.00 0.95 H new ATOM 0 HA LEU A 27 13.699 -8.054 -2.417 1.00 0.82 H new ATOM 0 HB2 LEU A 27 13.959 -6.717 -0.599 1.00 0.93 H new ATOM 0 HB3 LEU A 27 14.082 -5.245 -1.542 1.00 0.93 H new ATOM 0 HG LEU A 27 11.607 -5.389 -1.969 1.00 1.28 H new ATOM 0 HD11 LEU A 27 10.249 -6.775 -0.468 1.00 2.28 H new ATOM 0 HD12 LEU A 27 11.267 -7.754 -1.551 1.00 2.28 H new ATOM 0 HD13 LEU A 27 11.731 -7.541 0.154 1.00 2.28 H new ATOM 0 HD21 LEU A 27 10.985 -4.577 0.278 1.00 1.62 H new ATOM 0 HD22 LEU A 27 12.512 -5.225 0.923 1.00 1.62 H new ATOM 0 HD23 LEU A 27 12.539 -3.903 -0.268 1.00 1.62 H new ATOM 441 N ILE A 28 11.781 -7.752 -3.916 1.00 0.57 N ATOM 442 CA ILE A 28 10.621 -7.608 -4.749 1.00 0.52 C ATOM 443 C ILE A 28 9.395 -7.470 -3.858 1.00 0.44 C ATOM 444 O ILE A 28 9.209 -8.245 -2.909 1.00 0.43 O ATOM 445 CB ILE A 28 10.491 -8.790 -5.747 1.00 0.53 C ATOM 446 CG1 ILE A 28 11.401 -8.563 -6.971 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.047 -8.990 -6.188 1.00 0.47 C ATOM 448 CD1 ILE A 28 12.854 -8.271 -6.633 1.00 0.80 C ATOM 0 H ILE A 28 11.932 -8.694 -3.555 1.00 0.57 H new ATOM 0 HA ILE A 28 10.716 -6.709 -5.359 1.00 0.52 H new ATOM 0 HB ILE A 28 10.811 -9.697 -5.233 1.00 0.53 H new ATOM 0 HG12 ILE A 28 11.360 -9.447 -7.607 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.003 -7.732 -7.554 1.00 0.75 H new ATOM 0 HG21 ILE A 28 8.992 -9.825 -6.886 1.00 0.47 H new ATOM 0 HG22 ILE A 28 8.427 -9.203 -5.317 1.00 0.47 H new ATOM 0 HG23 ILE A 28 8.687 -8.085 -6.677 1.00 0.47 H new ATOM 0 HD11 ILE A 28 13.419 -8.125 -7.553 1.00 0.80 H new ATOM 0 HD12 ILE A 28 12.912 -7.368 -6.025 1.00 0.80 H new ATOM 0 HD13 ILE A 28 13.274 -9.110 -6.078 1.00 0.80 H new ATOM 460 N LEU A 29 8.601 -6.445 -4.137 1.00 0.51 N ATOM 461 CA LEU A 29 7.455 -6.108 -3.309 1.00 0.55 C ATOM 462 C LEU A 29 6.253 -6.933 -3.716 1.00 0.73 C ATOM 463 O LEU A 29 5.409 -7.277 -2.896 1.00 1.74 O ATOM 464 CB LEU A 29 7.105 -4.625 -3.465 1.00 0.71 C ATOM 465 CG LEU A 29 8.264 -3.702 -3.846 1.00 0.74 C ATOM 466 CD1 LEU A 29 7.764 -2.283 -4.088 1.00 1.28 C ATOM 467 CD2 LEU A 29 9.341 -3.703 -2.767 1.00 1.33 C ATOM 0 H LEU A 29 8.733 -5.828 -4.939 1.00 0.51 H new ATOM 0 HA LEU A 29 7.713 -6.319 -2.271 1.00 0.55 H new ATOM 0 HB2 LEU A 29 6.328 -4.533 -4.224 1.00 0.71 H new ATOM 0 HB3 LEU A 29 6.678 -4.272 -2.527 1.00 0.71 H new ATOM 0 HG LEU A 29 8.703 -4.081 -4.769 1.00 0.74 H new ATOM 0 HD11 LEU A 29 8.604 -1.642 -4.358 1.00 1.28 H new ATOM 0 HD12 LEU A 29 7.036 -2.287 -4.899 1.00 1.28 H new ATOM 0 HD13 LEU A 29 7.295 -1.903 -3.181 1.00 1.28 H new ATOM 0 HD21 LEU A 29 10.153 -3.039 -3.063 1.00 1.33 H new ATOM 0 HD22 LEU A 29 8.914 -3.357 -1.826 1.00 1.33 H new ATOM 0 HD23 LEU A 29 9.727 -4.714 -2.640 1.00 1.33 H new ATOM 479 N GLY A 30 6.180 -7.244 -4.997 1.00 0.40 N ATOM 480 CA GLY A 30 5.032 -7.949 -5.508 1.00 0.32 C ATOM 481 C GLY A 30 3.921 -6.996 -5.889 1.00 0.35 C ATOM 482 O GLY A 30 2.800 -7.414 -6.120 1.00 0.69 O ATOM 0 H GLY A 30 6.894 -7.021 -5.690 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.323 -8.537 -6.378 1.00 0.32 H new ATOM 0 HA3 GLY A 30 4.670 -8.650 -4.756 1.00 0.32 H new ATOM 486 N PHE A 31 4.238 -5.710 -5.930 1.00 0.29 N ATOM 487 CA PHE A 31 3.285 -4.670 -6.296 1.00 0.28 C ATOM 488 C PHE A 31 4.039 -3.466 -6.841 1.00 0.31 C ATOM 489 O PHE A 31 5.262 -3.400 -6.698 1.00 0.42 O ATOM 490 CB PHE A 31 2.452 -4.262 -5.076 1.00 0.28 C ATOM 491 CG PHE A 31 3.250 -3.775 -3.886 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.739 -2.478 -3.837 1.00 0.42 C ATOM 493 CD2 PHE A 31 3.479 -4.609 -2.805 1.00 0.33 C ATOM 494 CE1 PHE A 31 4.436 -2.025 -2.736 1.00 0.50 C ATOM 495 CE2 PHE A 31 4.183 -4.164 -1.702 1.00 0.42 C ATOM 496 CZ PHE A 31 4.662 -2.870 -1.667 1.00 0.51 C ATOM 0 H PHE A 31 5.169 -5.356 -5.709 1.00 0.29 H new ATOM 0 HA PHE A 31 2.611 -5.053 -7.062 1.00 0.28 H new ATOM 0 HB2 PHE A 31 1.759 -3.475 -5.375 1.00 0.28 H new ATOM 0 HB3 PHE A 31 1.850 -5.116 -4.765 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.572 -1.814 -4.672 1.00 0.42 H new ATOM 0 HD2 PHE A 31 3.102 -5.621 -2.824 1.00 0.33 H new ATOM 0 HE1 PHE A 31 4.805 -1.010 -2.710 1.00 0.50 H new ATOM 0 HE2 PHE A 31 4.358 -4.828 -0.868 1.00 0.42 H new ATOM 0 HZ PHE A 31 5.212 -2.519 -0.806 1.00 0.51 H new ATOM 506 N SER A 32 3.345 -2.509 -7.460 1.00 0.25 N ATOM 507 CA SER A 32 4.010 -1.292 -7.842 1.00 0.23 C ATOM 508 C SER A 32 3.533 -0.193 -6.919 1.00 0.23 C ATOM 509 O SER A 32 2.531 -0.360 -6.238 1.00 0.29 O ATOM 510 CB SER A 32 3.757 -0.951 -9.304 1.00 0.25 C ATOM 511 OG SER A 32 4.943 -0.523 -9.943 1.00 0.53 O ATOM 0 H SER A 32 2.354 -2.561 -7.696 1.00 0.25 H new ATOM 0 HA SER A 32 5.089 -1.412 -7.745 1.00 0.23 H new ATOM 0 HB2 SER A 32 3.358 -1.824 -9.820 1.00 0.25 H new ATOM 0 HB3 SER A 32 3.002 -0.168 -9.372 1.00 0.25 H new ATOM 0 HG SER A 32 4.752 -0.312 -10.881 1.00 0.53 H new ATOM 517 N ILE A 33 4.228 0.919 -6.870 1.00 0.23 N ATOM 518 CA ILE A 33 3.962 1.885 -5.818 1.00 0.25 C ATOM 519 C ILE A 33 4.218 3.319 -6.260 1.00 0.25 C ATOM 520 O ILE A 33 5.212 3.603 -6.924 1.00 0.32 O ATOM 521 CB ILE A 33 4.855 1.587 -4.585 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.777 2.718 -3.546 1.00 0.33 C ATOM 523 CG2 ILE A 33 6.297 1.372 -5.021 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.887 2.672 -2.510 1.00 0.37 C ATOM 0 H ILE A 33 4.965 1.178 -7.526 1.00 0.23 H new ATOM 0 HA ILE A 33 2.906 1.788 -5.568 1.00 0.25 H new ATOM 0 HB ILE A 33 4.483 0.676 -4.115 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.813 3.677 -4.062 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.814 2.666 -3.037 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.914 1.164 -4.147 1.00 0.49 H new ATOM 0 HG22 ILE A 33 6.347 0.529 -5.710 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.664 2.269 -5.519 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.767 3.500 -1.811 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.839 1.728 -1.967 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.853 2.755 -3.008 1.00 0.37 H new ATOM 536 N GLY A 34 3.308 4.212 -5.901 1.00 0.26 N ATOM 537 CA GLY A 34 3.652 5.610 -5.827 1.00 0.43 C ATOM 538 C GLY A 34 2.875 6.301 -4.741 1.00 0.30 C ATOM 539 O GLY A 34 1.650 6.310 -4.732 1.00 0.72 O ATOM 0 H GLY A 34 2.342 3.991 -5.661 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.720 5.715 -5.638 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.449 6.089 -6.785 1.00 0.43 H new ATOM 543 N GLY A 35 3.603 6.818 -3.787 1.00 0.77 N ATOM 544 CA GLY A 35 3.032 7.658 -2.763 1.00 0.93 C ATOM 545 C GLY A 35 3.918 8.826 -2.484 1.00 0.73 C ATOM 546 O GLY A 35 5.039 8.623 -2.069 1.00 1.42 O ATOM 0 H GLY A 35 4.608 6.670 -3.696 1.00 0.77 H new ATOM 0 HA2 GLY A 35 2.049 8.008 -3.079 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.886 7.080 -1.851 1.00 0.93 H new ATOM 550 N GLY A 36 3.460 10.027 -2.683 1.00 0.40 N ATOM 551 CA GLY A 36 4.383 11.124 -2.629 1.00 0.39 C ATOM 552 C GLY A 36 3.726 12.457 -2.316 1.00 0.35 C ATOM 553 O GLY A 36 2.917 12.931 -3.112 1.00 0.48 O ATOM 0 H GLY A 36 2.488 10.269 -2.878 1.00 0.40 H new ATOM 0 HA2 GLY A 36 5.139 10.915 -1.872 1.00 0.39 H new ATOM 0 HA3 GLY A 36 4.901 11.199 -3.585 1.00 0.39 H new ATOM 557 N ILE A 37 4.062 13.080 -1.199 1.00 0.37 N ATOM 558 CA ILE A 37 4.065 14.536 -1.183 1.00 0.41 C ATOM 559 C ILE A 37 5.196 14.953 -2.091 1.00 0.38 C ATOM 560 O ILE A 37 5.263 16.071 -2.594 1.00 0.46 O ATOM 561 CB ILE A 37 4.289 15.134 0.207 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.482 14.454 0.873 1.00 0.47 C ATOM 563 CG2 ILE A 37 3.032 15.013 1.041 1.00 0.52 C ATOM 564 CD1 ILE A 37 5.875 15.077 2.190 1.00 0.49 C ATOM 0 H ILE A 37 4.326 12.626 -0.325 1.00 0.37 H new ATOM 0 HA ILE A 37 3.089 14.899 -1.506 1.00 0.41 H new ATOM 0 HB ILE A 37 4.515 16.196 0.116 1.00 0.43 H new ATOM 0 HG12 ILE A 37 5.246 13.402 1.034 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.335 14.489 0.195 1.00 0.47 H new ATOM 0 HG21 ILE A 37 3.207 15.443 2.027 1.00 0.52 H new ATOM 0 HG22 ILE A 37 2.218 15.547 0.552 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.765 13.961 1.146 1.00 0.52 H new ATOM 0 HD11 ILE A 37 6.729 14.542 2.605 1.00 0.49 H new ATOM 0 HD12 ILE A 37 6.143 16.122 2.033 1.00 0.49 H new ATOM 0 HD13 ILE A 37 5.037 15.018 2.885 1.00 0.49 H new ATOM 576 N ASP A 38 6.089 13.994 -2.265 1.00 0.35 N ATOM 577 CA ASP A 38 7.129 14.054 -3.256 1.00 0.40 C ATOM 578 C ASP A 38 6.509 14.088 -4.656 1.00 0.56 C ATOM 579 O ASP A 38 6.965 14.814 -5.537 1.00 0.69 O ATOM 580 CB ASP A 38 8.016 12.825 -3.129 1.00 0.39 C ATOM 581 CG ASP A 38 8.832 12.526 -4.367 1.00 0.42 C ATOM 582 OD1 ASP A 38 9.871 13.187 -4.550 1.00 0.68 O ATOM 583 OD2 ASP A 38 8.423 11.663 -5.167 1.00 0.72 O ATOM 0 H ASP A 38 6.105 13.140 -1.707 1.00 0.35 H new ATOM 0 HA ASP A 38 7.722 14.955 -3.102 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.692 12.963 -2.285 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.392 11.961 -2.900 1.00 0.39 H new ATOM 588 N GLN A 39 5.454 13.273 -4.831 1.00 0.63 N ATOM 589 CA GLN A 39 4.799 13.097 -6.124 1.00 0.85 C ATOM 590 C GLN A 39 4.144 14.391 -6.609 1.00 0.93 C ATOM 591 O GLN A 39 4.614 15.014 -7.561 1.00 1.19 O ATOM 592 CB GLN A 39 3.753 11.973 -6.046 1.00 0.98 C ATOM 593 CG GLN A 39 4.329 10.600 -5.723 1.00 1.00 C ATOM 594 CD GLN A 39 5.290 10.094 -6.770 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.897 9.422 -7.721 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.557 10.397 -6.592 1.00 0.82 N ATOM 0 H GLN A 39 5.038 12.723 -4.079 1.00 0.63 H new ATOM 0 HA GLN A 39 5.568 12.822 -6.846 1.00 0.85 H new ATOM 0 HB2 GLN A 39 3.015 12.232 -5.287 1.00 0.98 H new ATOM 0 HB3 GLN A 39 3.225 11.918 -6.998 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.841 10.646 -4.762 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.512 9.887 -5.615 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.839 10.958 -5.788 1.00 0.82 H new ATOM 0 HE22 GLN A 39 7.258 10.071 -7.258 1.00 0.82 H new ATOM 605 N ASP A 40 3.063 14.808 -5.958 1.00 1.05 N ATOM 606 CA ASP A 40 2.335 15.992 -6.407 1.00 1.20 C ATOM 607 C ASP A 40 1.906 16.850 -5.230 1.00 1.52 C ATOM 608 O ASP A 40 0.861 16.609 -4.637 1.00 1.82 O ATOM 609 CB ASP A 40 1.076 15.625 -7.200 1.00 1.55 C ATOM 610 CG ASP A 40 1.232 14.399 -8.070 1.00 1.97 C ATOM 611 OD1 ASP A 40 0.969 13.283 -7.574 1.00 2.57 O ATOM 612 OD2 ASP A 40 1.583 14.551 -9.257 1.00 2.32 O ATOM 0 H ASP A 40 2.676 14.353 -5.131 1.00 1.05 H new ATOM 0 HA ASP A 40 3.023 16.543 -7.049 1.00 1.20 H new ATOM 0 HB2 ASP A 40 0.255 15.460 -6.502 1.00 1.55 H new ATOM 0 HB3 ASP A 40 0.796 16.470 -7.828 1.00 1.55 H new ATOM 617 N PRO A 41 2.682 17.877 -4.887 1.00 1.71 N ATOM 618 CA PRO A 41 2.354 18.788 -3.788 1.00 2.21 C ATOM 619 C PRO A 41 1.315 19.833 -4.187 1.00 2.39 C ATOM 620 O PRO A 41 1.226 20.904 -3.585 1.00 2.82 O ATOM 621 CB PRO A 41 3.694 19.464 -3.462 1.00 2.49 C ATOM 622 CG PRO A 41 4.711 18.873 -4.395 1.00 2.20 C ATOM 623 CD PRO A 41 3.951 18.237 -5.522 1.00 1.69 C ATOM 0 HA PRO A 41 1.915 18.257 -2.944 1.00 2.21 H new ATOM 0 HB2 PRO A 41 3.626 20.544 -3.596 1.00 2.49 H new ATOM 0 HB3 PRO A 41 3.974 19.289 -2.423 1.00 2.49 H new ATOM 0 HG2 PRO A 41 5.385 19.643 -4.770 1.00 2.20 H new ATOM 0 HG3 PRO A 41 5.326 18.135 -3.879 1.00 2.20 H new ATOM 0 HD2 PRO A 41 3.807 18.926 -6.354 1.00 1.69 H new ATOM 0 HD3 PRO A 41 4.469 17.363 -5.918 1.00 1.69 H new ATOM 631 N SER A 42 0.521 19.506 -5.189 1.00 2.18 N ATOM 632 CA SER A 42 -0.480 20.424 -5.706 1.00 2.37 C ATOM 633 C SER A 42 -1.770 19.666 -6.032 1.00 2.72 C ATOM 634 O SER A 42 -2.544 20.060 -6.905 1.00 3.26 O ATOM 635 CB SER A 42 0.070 21.120 -6.955 1.00 2.18 C ATOM 636 OG SER A 42 -0.722 22.234 -7.324 1.00 2.34 O ATOM 0 H SER A 42 0.550 18.604 -5.665 1.00 2.18 H new ATOM 0 HA SER A 42 -0.710 21.177 -4.953 1.00 2.37 H new ATOM 0 HB2 SER A 42 1.093 21.446 -6.769 1.00 2.18 H new ATOM 0 HB3 SER A 42 0.107 20.410 -7.781 1.00 2.18 H new ATOM 0 HG SER A 42 -1.669 21.982 -7.309 1.00 2.34 H new ATOM 642 N GLN A 43 -2.015 18.587 -5.298 1.00 2.58 N ATOM 643 CA GLN A 43 -3.184 17.749 -5.543 1.00 3.01 C ATOM 644 C GLN A 43 -3.898 17.491 -4.233 1.00 3.16 C ATOM 645 O GLN A 43 -4.760 16.623 -4.130 1.00 3.55 O ATOM 646 CB GLN A 43 -2.787 16.415 -6.181 1.00 3.10 C ATOM 647 CG GLN A 43 -2.068 16.541 -7.515 1.00 3.27 C ATOM 648 CD GLN A 43 -2.879 17.255 -8.576 1.00 3.19 C ATOM 649 OE1 GLN A 43 -4.112 17.230 -8.568 1.00 3.88 O ATOM 650 NE2 GLN A 43 -2.188 17.883 -9.509 1.00 2.74 N ATOM 0 H GLN A 43 -1.422 18.272 -4.530 1.00 2.58 H new ATOM 0 HA GLN A 43 -3.844 18.273 -6.234 1.00 3.01 H new ATOM 0 HB2 GLN A 43 -2.145 15.872 -5.487 1.00 3.10 H new ATOM 0 HB3 GLN A 43 -3.685 15.813 -6.322 1.00 3.10 H new ATOM 0 HG2 GLN A 43 -1.131 17.077 -7.364 1.00 3.27 H new ATOM 0 HG3 GLN A 43 -1.811 15.545 -7.875 1.00 3.27 H new ATOM 0 HE21 GLN A 43 -1.168 17.879 -9.478 1.00 2.74 H new ATOM 0 HE22 GLN A 43 -2.674 18.372 -10.261 1.00 2.74 H new ATOM 659 N ASN A 44 -3.538 18.282 -3.243 1.00 3.05 N ATOM 660 CA ASN A 44 -4.056 18.112 -1.897 1.00 3.30 C ATOM 661 C ASN A 44 -5.372 18.867 -1.762 1.00 3.09 C ATOM 662 O ASN A 44 -6.327 18.354 -1.185 1.00 3.14 O ATOM 663 CB ASN A 44 -3.037 18.584 -0.863 1.00 3.86 C ATOM 664 CG ASN A 44 -1.661 17.996 -1.108 1.00 4.45 C ATOM 665 OD1 ASN A 44 -0.859 18.559 -1.856 1.00 4.63 O ATOM 666 ND2 ASN A 44 -1.382 16.857 -0.497 1.00 5.14 N ATOM 0 H ASN A 44 -2.882 19.057 -3.345 1.00 3.05 H new ATOM 0 HA ASN A 44 -4.240 17.054 -1.712 1.00 3.30 H new ATOM 0 HB2 ASN A 44 -2.975 19.672 -0.886 1.00 3.86 H new ATOM 0 HB3 ASN A 44 -3.377 18.305 0.134 1.00 3.86 H new ATOM 0 HD21 ASN A 44 -0.475 16.412 -0.637 1.00 5.14 H new ATOM 0 HD22 ASN A 44 -2.074 16.423 0.114 1.00 5.14 H new ATOM 673 N PRO A 45 -5.451 20.111 -2.284 1.00 3.14 N ATOM 674 CA PRO A 45 -6.724 20.774 -2.578 1.00 3.25 C ATOM 675 C PRO A 45 -7.718 19.850 -3.292 1.00 3.09 C ATOM 676 O PRO A 45 -8.934 19.986 -3.148 1.00 3.46 O ATOM 677 CB PRO A 45 -6.302 21.919 -3.519 1.00 3.62 C ATOM 678 CG PRO A 45 -4.844 21.728 -3.769 1.00 3.71 C ATOM 679 CD PRO A 45 -4.340 21.034 -2.551 1.00 3.49 C ATOM 0 HA PRO A 45 -7.236 21.097 -1.672 1.00 3.25 H new ATOM 0 HB2 PRO A 45 -6.866 21.886 -4.451 1.00 3.62 H new ATOM 0 HB3 PRO A 45 -6.496 22.890 -3.064 1.00 3.62 H new ATOM 0 HG2 PRO A 45 -4.670 21.132 -4.665 1.00 3.71 H new ATOM 0 HG3 PRO A 45 -4.339 22.682 -3.918 1.00 3.71 H new ATOM 0 HD2 PRO A 45 -3.401 20.510 -2.732 1.00 3.49 H new ATOM 0 HD3 PRO A 45 -4.167 21.723 -1.724 1.00 3.49 H new ATOM 687 N PHE A 46 -7.179 18.904 -4.054 1.00 2.85 N ATOM 688 CA PHE A 46 -7.977 17.968 -4.834 1.00 2.97 C ATOM 689 C PHE A 46 -8.029 16.603 -4.158 1.00 2.64 C ATOM 690 O PHE A 46 -8.203 15.582 -4.823 1.00 2.98 O ATOM 691 CB PHE A 46 -7.366 17.803 -6.221 1.00 3.62 C ATOM 692 CG PHE A 46 -7.338 19.069 -7.032 1.00 4.08 C ATOM 693 CD1 PHE A 46 -8.479 19.505 -7.684 1.00 4.19 C ATOM 694 CD2 PHE A 46 -6.175 19.821 -7.143 1.00 4.79 C ATOM 695 CE1 PHE A 46 -8.464 20.665 -8.435 1.00 4.97 C ATOM 696 CE2 PHE A 46 -6.156 20.983 -7.893 1.00 5.53 C ATOM 697 CZ PHE A 46 -7.303 21.406 -8.537 1.00 5.62 C ATOM 0 H PHE A 46 -6.173 18.765 -4.147 1.00 2.85 H new ATOM 0 HA PHE A 46 -8.988 18.367 -4.911 1.00 2.97 H new ATOM 0 HB2 PHE A 46 -6.348 17.428 -6.116 1.00 3.62 H new ATOM 0 HB3 PHE A 46 -7.929 17.046 -6.767 1.00 3.62 H new ATOM 0 HD1 PHE A 46 -9.391 18.932 -7.605 1.00 4.19 H new ATOM 0 HD2 PHE A 46 -5.277 19.495 -6.639 1.00 4.79 H new ATOM 0 HE1 PHE A 46 -9.360 20.992 -8.942 1.00 4.97 H new ATOM 0 HE2 PHE A 46 -5.246 21.559 -7.975 1.00 5.53 H new ATOM 0 HZ PHE A 46 -7.292 22.315 -9.120 1.00 5.62 H new ATOM 707 N SER A 47 -7.897 16.588 -2.843 1.00 2.52 N ATOM 708 CA SER A 47 -7.852 15.358 -2.108 1.00 2.56 C ATOM 709 C SER A 47 -9.199 14.701 -2.122 1.00 3.05 C ATOM 710 O SER A 47 -10.252 15.341 -2.017 1.00 3.73 O ATOM 711 CB SER A 47 -7.374 15.582 -0.683 1.00 3.07 C ATOM 712 OG SER A 47 -7.400 14.384 0.074 1.00 3.77 O ATOM 0 H SER A 47 -7.819 17.427 -2.268 1.00 2.52 H new ATOM 0 HA SER A 47 -7.134 14.697 -2.593 1.00 2.56 H new ATOM 0 HB2 SER A 47 -6.360 15.981 -0.698 1.00 3.07 H new ATOM 0 HB3 SER A 47 -8.004 16.330 -0.202 1.00 3.07 H new ATOM 0 HG SER A 47 -6.675 14.398 0.733 1.00 3.77 H new ATOM 718 N GLU A 48 -9.132 13.417 -2.249 1.00 3.23 N ATOM 719 CA GLU A 48 -10.246 12.623 -2.632 1.00 4.12 C ATOM 720 C GLU A 48 -10.760 11.824 -1.455 1.00 4.20 C ATOM 721 O GLU A 48 -11.914 11.403 -1.428 1.00 5.09 O ATOM 722 CB GLU A 48 -9.715 11.718 -3.711 1.00 4.52 C ATOM 723 CG GLU A 48 -10.754 11.283 -4.725 1.00 5.60 C ATOM 724 CD GLU A 48 -10.180 10.392 -5.806 1.00 6.36 C ATOM 725 OE1 GLU A 48 -9.525 9.384 -5.471 1.00 6.76 O ATOM 726 OE2 GLU A 48 -10.381 10.703 -6.998 1.00 6.78 O ATOM 0 H GLU A 48 -8.280 12.881 -2.085 1.00 3.23 H new ATOM 0 HA GLU A 48 -11.086 13.224 -2.981 1.00 4.12 H new ATOM 0 HB2 GLU A 48 -8.906 12.229 -4.233 1.00 4.52 H new ATOM 0 HB3 GLU A 48 -9.284 10.831 -3.246 1.00 4.52 H new ATOM 0 HG2 GLU A 48 -11.557 10.753 -4.212 1.00 5.60 H new ATOM 0 HG3 GLU A 48 -11.198 12.166 -5.185 1.00 5.60 H new ATOM 733 N ASP A 49 -9.900 11.686 -0.456 1.00 3.44 N ATOM 734 CA ASP A 49 -10.072 10.656 0.571 1.00 3.59 C ATOM 735 C ASP A 49 -8.781 10.575 1.381 1.00 2.68 C ATOM 736 O ASP A 49 -7.989 11.513 1.364 1.00 2.54 O ATOM 737 CB ASP A 49 -10.342 9.310 -0.130 1.00 4.14 C ATOM 738 CG ASP A 49 -11.013 8.265 0.741 1.00 4.88 C ATOM 739 OD1 ASP A 49 -10.887 8.355 1.979 1.00 5.47 O ATOM 740 OD2 ASP A 49 -11.709 7.379 0.213 1.00 5.10 O ATOM 0 H ASP A 49 -9.075 12.272 -0.331 1.00 3.44 H new ATOM 0 HA ASP A 49 -10.906 10.892 1.232 1.00 3.59 H new ATOM 0 HB2 ASP A 49 -10.967 9.490 -1.004 1.00 4.14 H new ATOM 0 HB3 ASP A 49 -9.396 8.908 -0.492 1.00 4.14 H new ATOM 745 N LYS A 50 -8.551 9.453 2.057 1.00 2.41 N ATOM 746 CA LYS A 50 -7.267 9.192 2.706 1.00 1.76 C ATOM 747 C LYS A 50 -6.151 9.026 1.687 1.00 1.67 C ATOM 748 O LYS A 50 -5.014 8.742 2.049 1.00 2.01 O ATOM 749 CB LYS A 50 -7.289 7.931 3.591 1.00 1.83 C ATOM 750 CG LYS A 50 -8.309 6.850 3.226 1.00 1.31 C ATOM 751 CD LYS A 50 -8.195 6.383 1.783 1.00 1.63 C ATOM 752 CE LYS A 50 -9.112 5.196 1.503 1.00 2.28 C ATOM 753 NZ LYS A 50 -10.548 5.508 1.759 1.00 3.07 N ATOM 0 H LYS A 50 -9.238 8.708 2.171 1.00 2.41 H new ATOM 0 HA LYS A 50 -7.083 10.064 3.334 1.00 1.76 H new ATOM 0 HB2 LYS A 50 -6.296 7.483 3.568 1.00 1.83 H new ATOM 0 HB3 LYS A 50 -7.475 8.241 4.619 1.00 1.83 H new ATOM 0 HG2 LYS A 50 -8.176 5.995 3.889 1.00 1.31 H new ATOM 0 HG3 LYS A 50 -9.314 7.235 3.399 1.00 1.31 H new ATOM 0 HD2 LYS A 50 -8.448 7.205 1.113 1.00 1.63 H new ATOM 0 HD3 LYS A 50 -7.163 6.104 1.571 1.00 1.63 H new ATOM 0 HE2 LYS A 50 -8.991 4.885 0.465 1.00 2.28 H new ATOM 0 HE3 LYS A 50 -8.810 4.354 2.126 1.00 2.28 H new ATOM 0 HZ1 LYS A 50 -11.058 4.631 1.988 1.00 3.07 H new ATOM 0 HZ2 LYS A 50 -10.622 6.170 2.557 1.00 3.07 H new ATOM 0 HZ3 LYS A 50 -10.966 5.940 0.911 1.00 3.07 H new ATOM 767 N THR A 51 -6.474 9.170 0.414 1.00 2.06 N ATOM 768 CA THR A 51 -5.483 8.974 -0.611 1.00 2.68 C ATOM 769 C THR A 51 -4.588 10.211 -0.728 1.00 2.31 C ATOM 770 O THR A 51 -3.368 10.086 -0.622 1.00 2.92 O ATOM 771 CB THR A 51 -6.140 8.576 -1.957 1.00 3.69 C ATOM 772 OG1 THR A 51 -5.141 8.227 -2.922 1.00 4.56 O ATOM 773 CG2 THR A 51 -7.040 9.667 -2.520 1.00 3.71 C ATOM 0 H THR A 51 -7.403 9.419 0.075 1.00 2.06 H new ATOM 0 HA THR A 51 -4.842 8.139 -0.328 1.00 2.68 H new ATOM 0 HB THR A 51 -6.769 7.710 -1.749 1.00 3.69 H new ATOM 0 HG1 THR A 51 -5.542 8.210 -3.816 1.00 4.56 H new ATOM 0 HG21 THR A 51 -7.472 9.332 -3.463 1.00 3.71 H new ATOM 0 HG22 THR A 51 -7.839 9.881 -1.811 1.00 3.71 H new ATOM 0 HG23 THR A 51 -6.454 10.570 -2.690 1.00 3.71 H new ATOM 781 N ASP A 52 -5.204 11.391 -0.930 1.00 1.72 N ATOM 782 CA ASP A 52 -4.500 12.686 -0.866 1.00 1.38 C ATOM 783 C ASP A 52 -3.144 12.601 -1.567 1.00 1.45 C ATOM 784 O ASP A 52 -3.073 12.295 -2.760 1.00 2.13 O ATOM 785 CB ASP A 52 -4.345 13.103 0.612 1.00 1.44 C ATOM 786 CG ASP A 52 -4.027 14.575 0.816 1.00 2.02 C ATOM 787 OD1 ASP A 52 -2.842 14.953 0.709 1.00 2.60 O ATOM 788 OD2 ASP A 52 -4.962 15.346 1.112 1.00 2.34 O ATOM 0 H ASP A 52 -6.198 11.474 -1.141 1.00 1.72 H new ATOM 0 HA ASP A 52 -5.084 13.445 -1.387 1.00 1.38 H new ATOM 0 HB2 ASP A 52 -5.267 12.865 1.143 1.00 1.44 H new ATOM 0 HB3 ASP A 52 -3.553 12.506 1.065 1.00 1.44 H new ATOM 793 N LYS A 53 -2.081 12.859 -0.825 1.00 1.32 N ATOM 794 CA LYS A 53 -0.734 12.641 -1.308 1.00 1.78 C ATOM 795 C LYS A 53 0.052 11.816 -0.314 1.00 1.57 C ATOM 796 O LYS A 53 1.215 12.096 -0.008 1.00 2.37 O ATOM 797 CB LYS A 53 -0.047 13.965 -1.613 1.00 2.30 C ATOM 798 CG LYS A 53 -0.492 14.532 -2.946 1.00 2.22 C ATOM 799 CD LYS A 53 -0.210 13.543 -4.068 1.00 2.32 C ATOM 800 CE LYS A 53 -1.323 13.524 -5.099 1.00 2.67 C ATOM 801 NZ LYS A 53 -1.081 12.494 -6.146 1.00 3.48 N ATOM 0 H LYS A 53 -2.130 13.224 0.126 1.00 1.32 H new ATOM 0 HA LYS A 53 -0.782 12.081 -2.242 1.00 1.78 H new ATOM 0 HB2 LYS A 53 -0.268 14.681 -0.821 1.00 2.30 H new ATOM 0 HB3 LYS A 53 1.033 13.821 -1.621 1.00 2.30 H new ATOM 0 HG2 LYS A 53 -1.557 14.760 -2.913 1.00 2.22 H new ATOM 0 HG3 LYS A 53 0.028 15.470 -3.141 1.00 2.22 H new ATOM 0 HD2 LYS A 53 0.730 13.804 -4.554 1.00 2.32 H new ATOM 0 HD3 LYS A 53 -0.086 12.544 -3.649 1.00 2.32 H new ATOM 0 HE2 LYS A 53 -2.274 13.325 -4.605 1.00 2.67 H new ATOM 0 HE3 LYS A 53 -1.405 14.506 -5.565 1.00 2.67 H new ATOM 0 HZ1 LYS A 53 -1.900 12.450 -6.786 1.00 3.48 H new ATOM 0 HZ2 LYS A 53 -0.230 12.745 -6.689 1.00 3.48 H new ATOM 0 HZ3 LYS A 53 -0.943 11.567 -5.696 1.00 3.48 H new ATOM 815 N GLY A 54 -0.605 10.778 0.171 1.00 0.78 N ATOM 816 CA GLY A 54 0.049 9.802 1.004 1.00 0.65 C ATOM 817 C GLY A 54 0.775 8.809 0.146 1.00 0.53 C ATOM 818 O GLY A 54 1.300 9.176 -0.915 1.00 0.57 O ATOM 0 H GLY A 54 -1.593 10.594 -0.002 1.00 0.78 H new ATOM 0 HA2 GLY A 54 0.750 10.296 1.678 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -0.685 9.291 1.627 1.00 0.65 H new ATOM 822 N ILE A 55 0.818 7.552 0.554 1.00 0.48 N ATOM 823 CA ILE A 55 1.454 6.560 -0.281 1.00 0.40 C ATOM 824 C ILE A 55 0.424 5.532 -0.706 1.00 0.33 C ATOM 825 O ILE A 55 -0.457 5.225 0.060 1.00 0.43 O ATOM 826 CB ILE A 55 2.681 5.925 0.422 1.00 0.46 C ATOM 827 CG1 ILE A 55 3.902 6.844 0.259 1.00 0.51 C ATOM 828 CG2 ILE A 55 2.990 4.548 -0.143 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.858 8.144 1.042 1.00 0.54 C ATOM 0 H ILE A 55 0.431 7.206 1.432 1.00 0.48 H new ATOM 0 HA ILE A 55 1.846 7.039 -1.178 1.00 0.40 H new ATOM 0 HB ILE A 55 2.447 5.809 1.480 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.792 6.291 0.559 1.00 0.51 H new ATOM 0 HG13 ILE A 55 4.016 7.082 -0.799 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.855 4.130 0.371 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.130 3.894 0.002 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.206 4.632 -1.208 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.768 8.713 0.853 1.00 0.54 H new ATOM 0 HD12 ILE A 55 2.993 8.728 0.729 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.782 7.925 2.107 1.00 0.54 H new ATOM 841 N TYR A 56 0.477 5.055 -1.945 1.00 0.25 N ATOM 842 CA TYR A 56 -0.535 4.136 -2.425 1.00 0.23 C ATOM 843 C TYR A 56 0.054 3.179 -3.426 1.00 0.18 C ATOM 844 O TYR A 56 0.881 3.546 -4.265 1.00 0.28 O ATOM 845 CB TYR A 56 -1.765 4.850 -3.018 1.00 0.36 C ATOM 846 CG TYR A 56 -1.540 6.292 -3.369 1.00 0.32 C ATOM 847 CD1 TYR A 56 -1.558 7.257 -2.385 1.00 0.67 C ATOM 848 CD2 TYR A 56 -1.294 6.674 -4.674 1.00 0.83 C ATOM 849 CE1 TYR A 56 -1.336 8.584 -2.685 1.00 0.90 C ATOM 850 CE2 TYR A 56 -1.069 8.001 -4.993 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.085 8.954 -3.992 1.00 1.01 C ATOM 852 OH TYR A 56 -0.861 10.278 -4.296 1.00 1.42 O ATOM 0 H TYR A 56 1.202 5.289 -2.623 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.887 3.578 -1.557 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.082 4.316 -3.914 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.585 4.787 -2.303 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -1.749 6.969 -1.362 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -1.277 5.927 -5.454 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -1.358 9.329 -1.904 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -0.882 8.290 -6.017 1.00 1.14 H new ATOM 0 HH TYR A 56 -1.541 10.833 -3.860 1.00 1.42 H new ATOM 862 N VAL A 57 -0.346 1.939 -3.292 1.00 0.18 N ATOM 863 CA VAL A 57 0.128 0.896 -4.161 1.00 0.17 C ATOM 864 C VAL A 57 -0.609 0.931 -5.479 1.00 0.16 C ATOM 865 O VAL A 57 -1.822 1.138 -5.508 1.00 0.22 O ATOM 866 CB VAL A 57 -0.022 -0.494 -3.510 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.464 -0.862 -3.245 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.640 -1.560 -4.356 1.00 0.58 C ATOM 0 H VAL A 57 -1.007 1.627 -2.580 1.00 0.18 H new ATOM 0 HA VAL A 57 1.189 1.073 -4.339 1.00 0.17 H new ATOM 0 HB VAL A 57 0.480 -0.438 -2.544 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.509 -1.850 -2.786 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -1.909 -0.129 -2.572 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -2.015 -0.873 -4.185 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.521 -2.531 -3.876 1.00 0.58 H new ATOM 0 HG22 VAL A 57 0.175 -1.583 -5.342 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.701 -1.335 -4.460 1.00 0.58 H new ATOM 878 N THR A 58 0.145 0.763 -6.553 1.00 0.17 N ATOM 879 CA THR A 58 -0.409 0.653 -7.878 1.00 0.24 C ATOM 880 C THR A 58 0.131 -0.621 -8.541 1.00 0.38 C ATOM 881 O THR A 58 1.056 -0.595 -9.320 1.00 1.11 O ATOM 882 CB THR A 58 -0.123 1.910 -8.748 1.00 0.39 C ATOM 883 OG1 THR A 58 -0.796 1.810 -10.010 1.00 0.83 O ATOM 884 CG2 THR A 58 1.363 2.086 -8.995 1.00 0.69 C ATOM 0 H THR A 58 1.163 0.700 -6.522 1.00 0.17 H new ATOM 0 HA THR A 58 -1.494 0.589 -7.794 1.00 0.24 H new ATOM 0 HB THR A 58 -0.494 2.775 -8.199 1.00 0.39 H new ATOM 0 HG1 THR A 58 -0.608 2.609 -10.545 1.00 0.83 H new ATOM 0 HG21 THR A 58 1.528 2.973 -9.606 1.00 0.69 H new ATOM 0 HG22 THR A 58 1.879 2.201 -8.042 1.00 0.69 H new ATOM 0 HG23 THR A 58 1.752 1.210 -9.515 1.00 0.69 H new ATOM 892 N ARG A 59 -0.320 -1.733 -8.004 1.00 0.31 N ATOM 893 CA ARG A 59 -0.327 -3.052 -8.664 1.00 0.26 C ATOM 894 C ARG A 59 -0.284 -4.159 -7.651 1.00 0.26 C ATOM 895 O ARG A 59 -0.443 -3.944 -6.444 1.00 0.27 O ATOM 896 CB ARG A 59 0.836 -3.323 -9.633 1.00 0.26 C ATOM 897 CG ARG A 59 0.691 -2.683 -10.995 1.00 0.34 C ATOM 898 CD ARG A 59 1.212 -3.599 -12.088 1.00 0.45 C ATOM 899 NE ARG A 59 0.977 -3.065 -13.427 1.00 1.06 N ATOM 900 CZ ARG A 59 1.534 -3.557 -14.534 1.00 1.50 C ATOM 901 NH1 ARG A 59 2.388 -4.576 -14.464 1.00 1.52 N ATOM 902 NH2 ARG A 59 1.250 -3.022 -15.719 1.00 2.27 N ATOM 0 H ARG A 59 -0.710 -1.762 -7.062 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.252 -3.029 -9.240 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.760 -2.968 -9.177 1.00 0.26 H new ATOM 0 HB3 ARG A 59 0.938 -4.400 -9.763 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.357 -2.450 -11.181 1.00 0.34 H new ATOM 0 HG3 ARG A 59 1.236 -1.739 -11.017 1.00 0.34 H new ATOM 0 HD2 ARG A 59 2.281 -3.757 -11.946 1.00 0.45 H new ATOM 0 HD3 ARG A 59 0.732 -4.574 -12.000 1.00 0.45 H new ATOM 0 HE ARG A 59 0.349 -2.267 -13.521 1.00 1.06 H new ATOM 0 HH11 ARG A 59 2.620 -4.986 -13.559 1.00 1.52 H new ATOM 0 HH12 ARG A 59 2.810 -4.947 -15.315 1.00 1.52 H new ATOM 0 HH21 ARG A 59 0.605 -2.234 -15.782 1.00 2.27 H new ATOM 0 HH22 ARG A 59 1.677 -3.400 -16.565 1.00 2.27 H new ATOM 916 N VAL A 60 -0.138 -5.342 -8.220 1.00 0.26 N ATOM 917 CA VAL A 60 0.320 -6.543 -7.548 1.00 0.27 C ATOM 918 C VAL A 60 0.791 -7.495 -8.633 1.00 0.36 C ATOM 919 O VAL A 60 -0.011 -7.944 -9.452 1.00 0.51 O ATOM 920 CB VAL A 60 -0.726 -7.303 -6.697 1.00 0.33 C ATOM 921 CG1 VAL A 60 -0.042 -8.499 -6.073 1.00 0.83 C ATOM 922 CG2 VAL A 60 -1.352 -6.451 -5.607 1.00 0.75 C ATOM 0 H VAL A 60 -0.345 -5.498 -9.207 1.00 0.26 H new ATOM 0 HA VAL A 60 1.085 -6.217 -6.843 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.540 -7.600 -7.358 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.759 -9.053 -5.467 1.00 0.83 H new ATOM 0 HG12 VAL A 60 0.346 -9.147 -6.859 1.00 0.83 H new ATOM 0 HG13 VAL A 60 0.780 -8.160 -5.443 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -2.075 -7.047 -5.050 1.00 0.75 H new ATOM 0 HG22 VAL A 60 -0.574 -6.098 -4.930 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.856 -5.596 -6.058 1.00 0.75 H new ATOM 932 N SER A 61 2.082 -7.761 -8.673 1.00 0.45 N ATOM 933 CA SER A 61 2.628 -8.671 -9.658 1.00 0.56 C ATOM 934 C SER A 61 2.326 -10.101 -9.263 1.00 0.56 C ATOM 935 O SER A 61 2.689 -10.548 -8.173 1.00 0.64 O ATOM 936 CB SER A 61 4.132 -8.487 -9.794 1.00 0.72 C ATOM 937 OG SER A 61 4.472 -7.113 -9.880 1.00 1.65 O ATOM 0 H SER A 61 2.770 -7.360 -8.036 1.00 0.45 H new ATOM 0 HA SER A 61 2.163 -8.451 -10.619 1.00 0.56 H new ATOM 0 HB2 SER A 61 4.635 -8.937 -8.938 1.00 0.72 H new ATOM 0 HB3 SER A 61 4.487 -9.009 -10.683 1.00 0.72 H new ATOM 0 HG SER A 61 5.444 -7.021 -9.965 1.00 1.65 H new ATOM 943 N GLU A 62 1.642 -10.791 -10.151 1.00 0.68 N ATOM 944 CA GLU A 62 1.319 -12.194 -9.982 1.00 0.73 C ATOM 945 C GLU A 62 2.529 -13.012 -9.572 1.00 0.74 C ATOM 946 O GLU A 62 3.514 -13.109 -10.312 1.00 0.84 O ATOM 947 CB GLU A 62 0.764 -12.706 -11.291 1.00 0.86 C ATOM 948 CG GLU A 62 -0.682 -12.307 -11.511 1.00 1.45 C ATOM 949 CD GLU A 62 -1.142 -12.507 -12.940 1.00 1.62 C ATOM 950 OE1 GLU A 62 -0.400 -13.132 -13.726 1.00 1.85 O ATOM 951 OE2 GLU A 62 -2.249 -12.038 -13.289 1.00 1.75 O ATOM 0 H GLU A 62 1.290 -10.390 -11.020 1.00 0.68 H new ATOM 0 HA GLU A 62 0.586 -12.295 -9.182 1.00 0.73 H new ATOM 0 HB2 GLU A 62 1.371 -12.324 -12.112 1.00 0.86 H new ATOM 0 HB3 GLU A 62 0.844 -13.793 -11.314 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -1.319 -12.890 -10.846 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -0.809 -11.260 -11.238 1.00 1.45 H new ATOM 958 N GLY A 63 2.454 -13.585 -8.387 1.00 0.76 N ATOM 959 CA GLY A 63 3.523 -14.431 -7.913 1.00 0.86 C ATOM 960 C GLY A 63 4.374 -13.745 -6.872 1.00 0.80 C ATOM 961 O GLY A 63 5.139 -14.392 -6.157 1.00 0.92 O ATOM 0 H GLY A 63 1.670 -13.480 -7.742 1.00 0.76 H new ATOM 0 HA2 GLY A 63 3.102 -15.344 -7.492 1.00 0.86 H new ATOM 0 HA3 GLY A 63 4.150 -14.728 -8.754 1.00 0.86 H new ATOM 965 N GLY A 64 4.249 -12.430 -6.790 1.00 0.67 N ATOM 966 CA GLY A 64 4.985 -11.693 -5.792 1.00 0.66 C ATOM 967 C GLY A 64 4.351 -11.821 -4.438 1.00 0.63 C ATOM 968 O GLY A 64 3.220 -12.285 -4.313 1.00 0.99 O ATOM 0 H GLY A 64 3.653 -11.864 -7.395 1.00 0.67 H new ATOM 0 HA2 GLY A 64 6.011 -12.058 -5.751 1.00 0.66 H new ATOM 0 HA3 GLY A 64 5.032 -10.642 -6.075 1.00 0.66 H new ATOM 972 N PRO A 65 5.043 -11.364 -3.403 1.00 0.37 N ATOM 973 CA PRO A 65 4.647 -11.611 -2.024 1.00 0.27 C ATOM 974 C PRO A 65 3.416 -10.837 -1.614 1.00 0.23 C ATOM 975 O PRO A 65 2.672 -11.243 -0.726 1.00 0.29 O ATOM 976 CB PRO A 65 5.881 -11.170 -1.256 1.00 0.32 C ATOM 977 CG PRO A 65 6.465 -10.088 -2.080 1.00 0.43 C ATOM 978 CD PRO A 65 6.262 -10.535 -3.492 1.00 0.44 C ATOM 0 HA PRO A 65 4.360 -12.647 -1.843 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.621 -10.813 -0.259 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.583 -11.994 -1.127 1.00 0.32 H new ATOM 0 HG2 PRO A 65 5.970 -9.135 -1.891 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.523 -9.947 -1.857 1.00 0.43 H new ATOM 0 HD2 PRO A 65 6.128 -9.690 -4.168 1.00 0.44 H new ATOM 0 HD3 PRO A 65 7.113 -11.107 -3.861 1.00 0.44 H new ATOM 986 N ALA A 66 3.191 -9.748 -2.295 1.00 0.22 N ATOM 987 CA ALA A 66 2.029 -8.926 -2.058 1.00 0.24 C ATOM 988 C ALA A 66 0.737 -9.681 -2.363 1.00 0.29 C ATOM 989 O ALA A 66 -0.316 -9.378 -1.807 1.00 0.36 O ATOM 990 CB ALA A 66 2.128 -7.697 -2.914 1.00 0.27 C ATOM 0 H ALA A 66 3.806 -9.402 -3.031 1.00 0.22 H new ATOM 0 HA ALA A 66 2.001 -8.649 -1.004 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.256 -7.065 -2.746 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.031 -7.145 -2.655 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.169 -7.987 -3.964 1.00 0.27 H new ATOM 996 N GLU A 67 0.830 -10.671 -3.242 1.00 0.30 N ATOM 997 CA GLU A 67 -0.313 -11.497 -3.594 1.00 0.42 C ATOM 998 C GLU A 67 -0.609 -12.438 -2.435 1.00 0.39 C ATOM 999 O GLU A 67 -1.761 -12.712 -2.098 1.00 0.45 O ATOM 1000 CB GLU A 67 0.010 -12.286 -4.868 1.00 0.53 C ATOM 1001 CG GLU A 67 -1.134 -13.128 -5.401 1.00 0.77 C ATOM 1002 CD GLU A 67 -0.696 -14.021 -6.546 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -0.081 -13.512 -7.500 1.00 1.79 O ATOM 1004 OE2 GLU A 67 -0.939 -15.246 -6.478 1.00 1.54 O ATOM 0 H GLU A 67 1.692 -10.921 -3.726 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.191 -10.879 -3.783 1.00 0.42 H new ATOM 0 HB2 GLU A 67 0.320 -11.586 -5.644 1.00 0.53 H new ATOM 0 HB3 GLU A 67 0.861 -12.938 -4.669 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -1.538 -13.742 -4.596 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -1.939 -12.475 -5.738 1.00 0.77 H new ATOM 1011 N ILE A 68 0.466 -12.898 -1.822 1.00 0.31 N ATOM 1012 CA ILE A 68 0.402 -13.774 -0.656 1.00 0.31 C ATOM 1013 C ILE A 68 -0.204 -13.050 0.542 1.00 0.28 C ATOM 1014 O ILE A 68 -1.102 -13.573 1.204 1.00 0.34 O ATOM 1015 CB ILE A 68 1.810 -14.315 -0.284 1.00 0.30 C ATOM 1016 CG1 ILE A 68 2.289 -15.326 -1.328 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.821 -14.941 1.106 1.00 0.32 C ATOM 1018 CD1 ILE A 68 2.589 -14.717 -2.676 1.00 0.51 C ATOM 0 H ILE A 68 1.417 -12.676 -2.117 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.239 -14.616 -0.918 1.00 0.31 H new ATOM 0 HB ILE A 68 2.496 -13.468 -0.272 1.00 0.30 H new ATOM 0 HG12 ILE A 68 3.186 -15.820 -0.956 1.00 0.39 H new ATOM 0 HG13 ILE A 68 1.528 -16.096 -1.450 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.822 -15.308 1.332 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.534 -14.192 1.844 1.00 0.32 H new ATOM 0 HG23 ILE A 68 1.115 -15.771 1.137 1.00 0.32 H new ATOM 0 HD11 ILE A 68 2.923 -15.496 -3.361 1.00 0.51 H new ATOM 0 HD12 ILE A 68 1.688 -14.247 -3.072 1.00 0.51 H new ATOM 0 HD13 ILE A 68 3.373 -13.967 -2.570 1.00 0.51 H new ATOM 1030 N ALA A 69 0.283 -11.843 0.811 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.240 -11.041 1.912 1.00 0.24 C ATOM 1032 C ALA A 69 -1.629 -10.517 1.574 1.00 0.31 C ATOM 1033 O ALA A 69 -2.414 -10.196 2.469 1.00 0.41 O ATOM 1034 CB ALA A 69 0.703 -9.892 2.243 1.00 0.24 C ATOM 0 H ALA A 69 1.036 -11.400 0.284 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.316 -11.678 2.793 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.291 -9.309 3.067 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.675 -10.291 2.532 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.818 -9.252 1.368 1.00 0.24 H new ATOM 1040 N GLY A 70 -1.936 -10.454 0.281 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.248 -10.005 -0.143 1.00 0.41 C ATOM 1042 C GLY A 70 -3.340 -8.498 -0.300 1.00 0.36 C ATOM 1043 O GLY A 70 -3.960 -7.823 0.518 1.00 0.45 O ATOM 0 H GLY A 70 -1.301 -10.705 -0.477 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.498 -10.479 -1.092 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -3.991 -10.335 0.584 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.714 -7.970 -1.341 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.791 -6.545 -1.644 1.00 0.30 C ATOM 1049 C LEU A 71 -3.721 -6.321 -2.841 1.00 0.24 C ATOM 1050 O LEU A 71 -3.945 -7.241 -3.632 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.390 -6.001 -1.921 1.00 0.38 C ATOM 1052 CG LEU A 71 -1.251 -4.484 -1.848 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -1.726 -3.961 -0.498 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.194 -4.095 -2.090 1.00 0.87 C ATOM 0 H LEU A 71 -2.144 -8.508 -1.994 1.00 0.33 H new ATOM 0 HA LEU A 71 -3.202 -6.008 -0.789 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.698 -6.447 -1.207 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -1.081 -6.330 -2.913 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.877 -4.035 -2.619 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.617 -2.877 -0.469 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -2.774 -4.225 -0.354 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.127 -4.407 0.296 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.293 -3.011 -2.038 1.00 0.87 H new ATOM 0 HD22 LEU A 71 0.827 -4.554 -1.330 1.00 0.87 H new ATOM 0 HD23 LEU A 71 0.503 -4.440 -3.076 1.00 0.87 H new ATOM 1066 N GLN A 72 -4.261 -5.112 -2.986 1.00 0.24 N ATOM 1067 CA GLN A 72 -5.340 -4.884 -3.939 1.00 0.33 C ATOM 1068 C GLN A 72 -4.981 -3.971 -5.101 1.00 0.25 C ATOM 1069 O GLN A 72 -5.885 -3.424 -5.744 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.531 -4.318 -3.209 1.00 0.60 C ATOM 1071 CG GLN A 72 -7.198 -5.336 -2.329 1.00 1.02 C ATOM 1072 CD GLN A 72 -8.042 -4.680 -1.276 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -9.236 -4.417 -1.464 1.00 1.21 O ATOM 1074 NE2 GLN A 72 -7.418 -4.394 -0.158 1.00 0.64 N ATOM 0 H GLN A 72 -3.972 -4.286 -2.462 1.00 0.24 H new ATOM 0 HA GLN A 72 -5.561 -5.855 -4.382 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.213 -3.470 -2.603 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -7.252 -3.939 -3.934 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -7.819 -5.994 -2.937 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -6.441 -5.960 -1.854 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -6.432 -4.631 -0.049 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -7.919 -3.935 0.603 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.689 -3.811 -5.398 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.281 -3.121 -6.607 1.00 0.26 C ATOM 1085 C ILE A 73 -3.480 -1.591 -6.527 1.00 0.23 C ATOM 1086 O ILE A 73 -2.981 -0.858 -7.378 1.00 0.31 O ATOM 1087 CB ILE A 73 -4.050 -3.741 -7.810 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.533 -5.160 -8.075 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -3.957 -2.887 -9.056 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -4.306 -5.916 -9.128 1.00 0.77 C ATOM 0 H ILE A 73 -2.920 -4.149 -4.819 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.208 -3.259 -6.740 1.00 0.26 H new ATOM 0 HB ILE A 73 -5.107 -3.785 -7.546 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -2.488 -5.102 -8.379 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -3.563 -5.725 -7.143 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -4.510 -3.363 -9.866 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -4.382 -1.904 -8.856 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -2.912 -2.778 -9.345 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.875 -6.909 -9.253 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -5.347 -6.009 -8.819 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -4.255 -5.377 -10.074 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.091 -1.109 -5.449 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.602 0.256 -5.432 1.00 0.25 C ATOM 1104 C GLY A 74 -5.058 0.663 -4.049 1.00 0.29 C ATOM 1105 O GLY A 74 -6.238 0.933 -3.818 1.00 0.37 O ATOM 0 H GLY A 74 -4.243 -1.635 -4.588 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -3.826 0.940 -5.776 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.435 0.342 -6.130 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.111 0.707 -3.136 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.412 0.876 -1.715 1.00 0.34 C ATOM 1111 C ASP A 75 -3.702 2.099 -1.176 1.00 0.30 C ATOM 1112 O ASP A 75 -2.605 2.407 -1.613 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.005 -0.360 -0.905 1.00 0.44 C ATOM 1114 CG ASP A 75 -4.773 -1.604 -1.302 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -5.926 -1.764 -0.844 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -4.221 -2.424 -2.069 1.00 0.89 O ATOM 0 H ASP A 75 -3.116 0.628 -3.347 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.490 1.006 -1.615 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -2.938 -0.540 -1.038 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.166 -0.163 0.155 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.298 2.763 -0.203 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.732 3.986 0.334 1.00 0.28 C ATOM 1123 C LYS A 76 -2.964 3.681 1.604 1.00 0.28 C ATOM 1124 O LYS A 76 -3.539 3.522 2.671 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.820 5.023 0.623 1.00 0.34 C ATOM 1126 CG LYS A 76 -5.513 5.577 -0.616 1.00 0.74 C ATOM 1127 CD LYS A 76 -6.427 4.557 -1.277 1.00 1.17 C ATOM 1128 CE LYS A 76 -7.314 5.201 -2.333 1.00 1.55 C ATOM 1129 NZ LYS A 76 -6.540 5.750 -3.481 1.00 2.20 N ATOM 0 H LYS A 76 -5.175 2.475 0.232 1.00 0.30 H new ATOM 0 HA LYS A 76 -3.056 4.403 -0.413 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.571 4.572 1.272 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -4.377 5.851 1.176 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -6.095 6.457 -0.340 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -4.761 5.905 -1.333 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -5.826 3.772 -1.736 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -7.049 4.080 -0.520 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -8.027 4.463 -2.701 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -7.893 6.003 -1.875 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -7.187 6.235 -4.135 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -5.831 6.425 -3.130 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -6.061 4.973 -3.980 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.668 3.623 1.471 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.780 3.251 2.546 1.00 0.27 C ATOM 1145 C ILE A 77 -0.641 4.357 3.578 1.00 0.25 C ATOM 1146 O ILE A 77 -0.245 5.501 3.250 1.00 0.29 O ATOM 1147 CB ILE A 77 0.603 2.883 1.997 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.496 1.611 1.164 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.645 2.734 3.105 1.00 0.38 C ATOM 1150 CD1 ILE A 77 0.551 1.866 -0.319 1.00 0.49 C ATOM 0 H ILE A 77 -1.187 3.836 0.597 1.00 0.28 H new ATOM 0 HA ILE A 77 -1.220 2.384 3.039 1.00 0.27 H new ATOM 0 HB ILE A 77 0.946 3.700 1.363 1.00 0.31 H new ATOM 0 HG12 ILE A 77 1.305 0.935 1.440 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.439 1.105 1.405 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.608 2.473 2.666 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.737 3.675 3.647 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.335 1.948 3.793 1.00 0.38 H new ATOM 0 HD11 ILE A 77 0.470 0.920 -0.854 1.00 0.49 H new ATOM 0 HD12 ILE A 77 -0.274 2.518 -0.607 1.00 0.49 H new ATOM 0 HD13 ILE A 77 1.497 2.345 -0.571 1.00 0.49 H new ATOM 1162 N MET A 78 -0.993 3.977 4.811 1.00 0.22 N ATOM 1163 CA MET A 78 -0.892 4.815 5.991 1.00 0.24 C ATOM 1164 C MET A 78 0.472 4.692 6.662 1.00 0.24 C ATOM 1165 O MET A 78 0.878 5.565 7.423 1.00 0.30 O ATOM 1166 CB MET A 78 -1.967 4.425 7.016 1.00 0.33 C ATOM 1167 CG MET A 78 -3.387 4.346 6.473 1.00 0.32 C ATOM 1168 SD MET A 78 -4.117 5.964 6.145 1.00 0.75 S ATOM 1169 CE MET A 78 -3.163 6.449 4.716 1.00 1.06 C ATOM 0 H MET A 78 -1.366 3.049 5.012 1.00 0.22 H new ATOM 0 HA MET A 78 -1.033 5.844 5.659 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.704 3.457 7.442 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.947 5.148 7.831 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.385 3.763 5.552 1.00 0.32 H new ATOM 0 HG3 MET A 78 -4.013 3.811 7.187 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.710 7.205 4.153 1.00 1.06 H new ATOM 0 HE2 MET A 78 -2.206 6.859 5.039 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.989 5.579 4.082 1.00 1.06 H new ATOM 1179 N GLN A 79 1.173 3.598 6.407 1.00 0.23 N ATOM 1180 CA GLN A 79 2.446 3.353 7.076 1.00 0.23 C ATOM 1181 C GLN A 79 3.298 2.331 6.335 1.00 0.24 C ATOM 1182 O GLN A 79 2.782 1.415 5.697 1.00 0.24 O ATOM 1183 CB GLN A 79 2.215 2.910 8.534 1.00 0.26 C ATOM 1184 CG GLN A 79 3.166 1.821 9.007 1.00 0.54 C ATOM 1185 CD GLN A 79 3.206 1.661 10.509 1.00 0.50 C ATOM 1186 OE1 GLN A 79 3.094 2.762 11.233 1.00 0.82 O flip ATOM 1187 NE2 GLN A 79 3.377 0.554 11.014 1.00 0.43 N flip ATOM 0 H GLN A 79 0.888 2.872 5.750 1.00 0.23 H new ATOM 0 HA GLN A 79 2.997 4.294 7.075 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.318 3.777 9.187 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.190 2.553 8.637 1.00 0.26 H new ATOM 0 HG2 GLN A 79 2.871 0.873 8.557 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.170 2.046 8.647 1.00 0.54 H new ATOM 0 HE21 GLN A 79 3.458 -0.271 10.419 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.438 0.460 12.028 1.00 0.43 H new ATOM 1196 N VAL A 80 4.608 2.503 6.445 1.00 0.28 N ATOM 1197 CA VAL A 80 5.572 1.618 5.814 1.00 0.35 C ATOM 1198 C VAL A 80 6.616 1.152 6.826 1.00 0.31 C ATOM 1199 O VAL A 80 7.431 1.947 7.294 1.00 0.31 O ATOM 1200 CB VAL A 80 6.282 2.316 4.639 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.548 1.572 4.252 1.00 0.85 C ATOM 1202 CG2 VAL A 80 5.354 2.445 3.444 1.00 1.31 C ATOM 0 H VAL A 80 5.032 3.263 6.977 1.00 0.28 H new ATOM 0 HA VAL A 80 5.024 0.756 5.434 1.00 0.35 H new ATOM 0 HB VAL A 80 6.560 3.318 4.965 1.00 0.52 H new ATOM 0 HG11 VAL A 80 8.031 2.084 3.420 1.00 0.85 H new ATOM 0 HG12 VAL A 80 8.227 1.542 5.104 1.00 0.85 H new ATOM 0 HG13 VAL A 80 7.295 0.554 3.954 1.00 0.85 H new ATOM 0 HG21 VAL A 80 5.879 2.941 2.628 1.00 1.31 H new ATOM 0 HG22 VAL A 80 5.036 1.454 3.122 1.00 1.31 H new ATOM 0 HG23 VAL A 80 4.480 3.033 3.724 1.00 1.31 H new ATOM 1212 N ASN A 81 6.563 -0.129 7.169 1.00 0.34 N ATOM 1213 CA ASN A 81 7.562 -0.762 8.039 1.00 0.38 C ATOM 1214 C ASN A 81 7.769 -0.005 9.343 1.00 0.34 C ATOM 1215 O ASN A 81 8.883 0.060 9.864 1.00 0.40 O ATOM 1216 CB ASN A 81 8.884 -0.915 7.283 1.00 0.46 C ATOM 1217 CG ASN A 81 8.902 -2.171 6.442 1.00 0.70 C ATOM 1218 OD1 ASN A 81 9.528 -3.213 6.961 1.00 1.50 O flip ATOM 1219 ND2 ASN A 81 8.381 -2.203 5.332 1.00 1.18 N flip ATOM 0 H ASN A 81 5.829 -0.763 6.855 1.00 0.34 H new ATOM 0 HA ASN A 81 7.183 -1.747 8.312 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.041 -0.046 6.644 1.00 0.46 H new ATOM 0 HB3 ASN A 81 9.710 -0.941 7.994 1.00 0.46 H new ATOM 0 HD21 ASN A 81 7.907 -1.377 4.967 1.00 1.18 H new ATOM 0 HD22 ASN A 81 8.422 -3.056 4.774 1.00 1.18 H new ATOM 1226 N GLY A 82 6.689 0.534 9.886 1.00 0.32 N ATOM 1227 CA GLY A 82 6.785 1.264 11.137 1.00 0.34 C ATOM 1228 C GLY A 82 6.842 2.763 10.932 1.00 0.31 C ATOM 1229 O GLY A 82 6.722 3.533 11.886 1.00 0.38 O ATOM 0 H GLY A 82 5.752 0.481 9.488 1.00 0.32 H new ATOM 0 HA2 GLY A 82 5.927 1.019 11.763 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.676 0.940 11.675 1.00 0.34 H new ATOM 1233 N TRP A 83 7.027 3.187 9.693 1.00 0.28 N ATOM 1234 CA TRP A 83 7.037 4.606 9.371 1.00 0.28 C ATOM 1235 C TRP A 83 5.637 5.052 9.048 1.00 0.29 C ATOM 1236 O TRP A 83 4.790 4.241 8.719 1.00 0.48 O ATOM 1237 CB TRP A 83 7.947 4.915 8.191 1.00 0.30 C ATOM 1238 CG TRP A 83 9.382 4.644 8.466 1.00 0.33 C ATOM 1239 CD1 TRP A 83 9.998 3.440 8.388 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.378 5.591 8.859 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.326 3.573 8.702 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.581 4.884 9.003 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.366 6.964 9.105 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.769 5.502 9.381 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.545 7.581 9.481 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.731 6.847 9.617 1.00 0.76 C ATOM 0 H TRP A 83 7.172 2.570 8.894 1.00 0.28 H new ATOM 0 HA TRP A 83 7.420 5.143 10.239 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.631 4.322 7.333 1.00 0.30 H new ATOM 0 HB3 TRP A 83 7.829 5.963 7.915 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.515 2.513 8.118 1.00 0.35 H new ATOM 0 HE1 TRP A 83 12.012 2.818 8.710 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.454 7.534 9.004 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.686 4.940 9.484 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.552 8.644 9.673 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.636 7.356 9.915 1.00 0.76 H new ATOM 1257 N ASP A 84 5.416 6.336 9.098 1.00 0.39 N ATOM 1258 CA ASP A 84 4.074 6.876 8.967 1.00 0.41 C ATOM 1259 C ASP A 84 3.908 7.578 7.634 1.00 0.40 C ATOM 1260 O ASP A 84 4.524 8.618 7.387 1.00 0.59 O ATOM 1261 CB ASP A 84 3.786 7.845 10.109 1.00 0.62 C ATOM 1262 CG ASP A 84 2.332 8.293 10.143 1.00 1.16 C ATOM 1263 OD1 ASP A 84 1.987 9.247 9.414 1.00 1.28 O ATOM 1264 OD2 ASP A 84 1.526 7.687 10.886 1.00 1.89 O ATOM 0 H ASP A 84 6.145 7.038 9.229 1.00 0.39 H new ATOM 0 HA ASP A 84 3.364 6.051 9.013 1.00 0.41 H new ATOM 0 HB2 ASP A 84 4.038 7.369 11.057 1.00 0.62 H new ATOM 0 HB3 ASP A 84 4.430 8.719 10.010 1.00 0.62 H new ATOM 1269 N MET A 85 3.092 7.000 6.771 1.00 0.36 N ATOM 1270 CA MET A 85 2.864 7.573 5.469 1.00 0.46 C ATOM 1271 C MET A 85 1.475 8.181 5.408 1.00 0.36 C ATOM 1272 O MET A 85 0.475 7.494 5.226 1.00 0.56 O ATOM 1273 CB MET A 85 3.024 6.519 4.373 1.00 0.76 C ATOM 1274 CG MET A 85 4.293 5.702 4.500 1.00 0.49 C ATOM 1275 SD MET A 85 5.737 6.739 4.760 1.00 1.01 S ATOM 1276 CE MET A 85 7.025 5.523 4.930 1.00 0.44 C ATOM 0 H MET A 85 2.580 6.137 6.953 1.00 0.36 H new ATOM 0 HA MET A 85 3.606 8.354 5.302 1.00 0.46 H new ATOM 0 HB2 MET A 85 2.165 5.848 4.397 1.00 0.76 H new ATOM 0 HB3 MET A 85 3.015 7.013 3.401 1.00 0.76 H new ATOM 0 HG2 MET A 85 4.193 5.004 5.331 1.00 0.49 H new ATOM 0 HG3 MET A 85 4.432 5.106 3.598 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.996 6.018 4.918 1.00 0.44 H new ATOM 0 HE2 MET A 85 6.900 4.990 5.873 1.00 0.44 H new ATOM 0 HE3 MET A 85 6.968 4.815 4.103 1.00 0.44 H new ATOM 1286 N THR A 86 1.439 9.475 5.566 1.00 0.31 N ATOM 1287 CA THR A 86 0.238 10.250 5.372 1.00 0.35 C ATOM 1288 C THR A 86 0.521 11.290 4.329 1.00 0.46 C ATOM 1289 O THR A 86 -0.233 11.495 3.384 1.00 1.05 O ATOM 1290 CB THR A 86 -0.182 10.948 6.670 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.977 11.207 7.486 1.00 0.47 O ATOM 1292 CG2 THR A 86 -1.185 10.112 7.424 1.00 0.37 C ATOM 0 H THR A 86 2.251 10.031 5.836 1.00 0.31 H new ATOM 0 HA THR A 86 -0.571 9.588 5.062 1.00 0.35 H new ATOM 0 HB THR A 86 -0.655 11.898 6.419 1.00 0.36 H new ATOM 0 HG1 THR A 86 1.160 10.427 8.051 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.470 10.626 8.342 1.00 0.37 H new ATOM 0 HG22 THR A 86 -2.069 9.958 6.805 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.742 9.147 7.671 1.00 0.37 H new ATOM 1300 N MET A 87 1.632 11.957 4.542 1.00 0.56 N ATOM 1301 CA MET A 87 2.155 12.908 3.601 1.00 0.65 C ATOM 1302 C MET A 87 3.663 12.802 3.618 1.00 0.76 C ATOM 1303 O MET A 87 4.337 13.504 4.369 1.00 1.49 O ATOM 1304 CB MET A 87 1.726 14.331 3.954 1.00 0.84 C ATOM 1305 CG MET A 87 0.434 14.397 4.759 1.00 0.97 C ATOM 1306 SD MET A 87 -0.132 16.083 5.054 1.00 1.36 S ATOM 1307 CE MET A 87 -1.677 15.756 5.900 1.00 1.62 C ATOM 0 H MET A 87 2.200 11.850 5.383 1.00 0.56 H new ATOM 0 HA MET A 87 1.765 12.687 2.607 1.00 0.65 H new ATOM 0 HB2 MET A 87 2.523 14.811 4.522 1.00 0.84 H new ATOM 0 HB3 MET A 87 1.601 14.902 3.034 1.00 0.84 H new ATOM 0 HG2 MET A 87 -0.344 13.846 4.231 1.00 0.97 H new ATOM 0 HG3 MET A 87 0.584 13.898 5.716 1.00 0.97 H new ATOM 0 HE1 MET A 87 -2.159 16.700 6.155 1.00 1.62 H new ATOM 0 HE2 MET A 87 -2.333 15.178 5.249 1.00 1.62 H new ATOM 0 HE3 MET A 87 -1.480 15.191 6.811 1.00 1.62 H new ATOM 1317 N VAL A 88 4.181 11.870 2.843 1.00 0.40 N ATOM 1318 CA VAL A 88 5.594 11.616 2.810 1.00 0.45 C ATOM 1319 C VAL A 88 6.041 11.339 1.370 1.00 0.36 C ATOM 1320 O VAL A 88 5.235 10.914 0.540 1.00 0.39 O ATOM 1321 CB VAL A 88 5.918 10.449 3.764 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.409 9.221 3.029 1.00 0.72 C ATOM 1323 CG2 VAL A 88 6.906 10.909 4.813 1.00 1.09 C ATOM 0 H VAL A 88 3.631 11.274 2.224 1.00 0.40 H new ATOM 0 HA VAL A 88 6.148 12.490 3.152 1.00 0.45 H new ATOM 0 HB VAL A 88 4.994 10.149 4.259 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.623 8.429 3.746 1.00 0.72 H new ATOM 0 HG12 VAL A 88 5.642 8.883 2.333 1.00 0.72 H new ATOM 0 HG13 VAL A 88 7.317 9.466 2.477 1.00 0.72 H new ATOM 0 HG21 VAL A 88 7.133 10.082 5.486 1.00 1.09 H new ATOM 0 HG22 VAL A 88 7.823 11.244 4.327 1.00 1.09 H new ATOM 0 HG23 VAL A 88 6.475 11.732 5.382 1.00 1.09 H new ATOM 1333 N THR A 89 7.292 11.660 1.056 1.00 0.31 N ATOM 1334 CA THR A 89 7.814 11.494 -0.283 1.00 0.28 C ATOM 1335 C THR A 89 7.788 10.033 -0.739 1.00 0.26 C ATOM 1336 O THR A 89 7.868 9.111 0.073 1.00 0.26 O ATOM 1337 CB THR A 89 9.242 12.067 -0.367 1.00 0.31 C ATOM 1338 OG1 THR A 89 10.112 11.383 0.538 1.00 0.32 O ATOM 1339 CG2 THR A 89 9.226 13.553 -0.029 1.00 0.35 C ATOM 0 H THR A 89 7.964 12.040 1.723 1.00 0.31 H new ATOM 0 HA THR A 89 7.165 12.048 -0.961 1.00 0.28 H new ATOM 0 HB THR A 89 9.609 11.928 -1.384 1.00 0.31 H new ATOM 0 HG1 THR A 89 11.015 11.758 0.470 1.00 0.32 H new ATOM 0 HG21 THR A 89 10.239 13.951 -0.090 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.585 14.080 -0.736 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.842 13.692 0.982 1.00 0.35 H new ATOM 1347 N HIS A 90 7.665 9.837 -2.050 1.00 0.26 N ATOM 1348 CA HIS A 90 7.617 8.497 -2.634 1.00 0.25 C ATOM 1349 C HIS A 90 8.892 7.768 -2.342 1.00 0.27 C ATOM 1350 O HIS A 90 8.902 6.560 -2.118 1.00 0.30 O ATOM 1351 CB HIS A 90 7.409 8.591 -4.141 1.00 0.25 C ATOM 1352 CG HIS A 90 7.285 7.270 -4.847 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.519 7.128 -6.195 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.932 6.036 -4.399 1.00 0.27 C ATOM 1355 CE1 HIS A 90 7.310 5.876 -6.548 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.955 5.195 -5.480 1.00 0.32 N ATOM 0 H HIS A 90 7.596 10.593 -2.732 1.00 0.26 H new ATOM 0 HA HIS A 90 6.783 7.950 -2.194 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.509 9.175 -4.333 1.00 0.25 H new ATOM 0 HB3 HIS A 90 8.244 9.141 -4.575 1.00 0.25 H new ATOM 0 HD1 HIS A 90 7.809 7.876 -6.824 1.00 0.32 H new ATOM 0 HD2 HIS A 90 6.681 5.769 -3.383 1.00 0.27 H new ATOM 0 HE1 HIS A 90 7.413 5.476 -7.546 1.00 0.35 H new ATOM 1365 N ASP A 91 9.951 8.531 -2.320 1.00 0.31 N ATOM 1366 CA ASP A 91 11.275 7.969 -2.059 1.00 0.34 C ATOM 1367 C ASP A 91 11.360 7.552 -0.621 1.00 0.32 C ATOM 1368 O ASP A 91 12.017 6.569 -0.293 1.00 0.33 O ATOM 1369 CB ASP A 91 12.408 8.953 -2.343 1.00 0.41 C ATOM 1370 CG ASP A 91 12.697 9.111 -3.816 1.00 1.03 C ATOM 1371 OD1 ASP A 91 13.099 8.114 -4.449 1.00 1.45 O ATOM 1372 OD2 ASP A 91 12.519 10.225 -4.347 1.00 1.67 O ATOM 0 H ASP A 91 9.938 9.539 -2.477 1.00 0.31 H new ATOM 0 HA ASP A 91 11.396 7.120 -2.731 1.00 0.34 H new ATOM 0 HB2 ASP A 91 12.151 9.925 -1.922 1.00 0.41 H new ATOM 0 HB3 ASP A 91 13.311 8.615 -1.835 1.00 0.41 H new ATOM 1377 N GLN A 92 10.675 8.297 0.237 1.00 0.31 N ATOM 1378 CA GLN A 92 10.680 8.004 1.638 1.00 0.32 C ATOM 1379 C GLN A 92 10.047 6.649 1.853 1.00 0.29 C ATOM 1380 O GLN A 92 10.651 5.755 2.434 1.00 0.31 O ATOM 1381 CB GLN A 92 9.900 9.072 2.379 1.00 0.36 C ATOM 1382 CG GLN A 92 9.580 8.696 3.798 1.00 0.42 C ATOM 1383 CD GLN A 92 10.637 9.156 4.770 1.00 0.57 C ATOM 1384 OE1 GLN A 92 11.606 8.451 5.044 1.00 0.77 O ATOM 1385 NE2 GLN A 92 10.436 10.344 5.309 1.00 0.62 N ATOM 0 H GLN A 92 10.113 9.106 -0.027 1.00 0.31 H new ATOM 0 HA GLN A 92 11.702 7.990 2.017 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.474 9.999 2.376 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.971 9.271 1.845 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.620 9.130 4.078 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.473 7.614 3.868 1.00 0.42 H new ATOM 0 HE21 GLN A 92 9.615 10.890 5.048 1.00 0.62 H new ATOM 0 HE22 GLN A 92 11.102 10.716 5.987 1.00 0.62 H new ATOM 1394 N ALA A 93 8.856 6.484 1.305 1.00 0.27 N ATOM 1395 CA ALA A 93 8.122 5.250 1.471 1.00 0.28 C ATOM 1396 C ALA A 93 8.837 4.114 0.765 1.00 0.28 C ATOM 1397 O ALA A 93 8.949 3.014 1.296 1.00 0.33 O ATOM 1398 CB ALA A 93 6.715 5.398 0.937 1.00 0.33 C ATOM 0 H ALA A 93 8.380 7.190 0.743 1.00 0.27 H new ATOM 0 HA ALA A 93 8.066 5.019 2.535 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.175 4.460 1.069 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.202 6.192 1.479 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.753 5.649 -0.123 1.00 0.33 H new ATOM 1404 N ARG A 94 9.346 4.414 -0.427 1.00 0.27 N ATOM 1405 CA ARG A 94 10.037 3.432 -1.245 1.00 0.30 C ATOM 1406 C ARG A 94 11.258 2.886 -0.514 1.00 0.33 C ATOM 1407 O ARG A 94 11.466 1.675 -0.434 1.00 0.37 O ATOM 1408 CB ARG A 94 10.468 4.067 -2.571 1.00 0.34 C ATOM 1409 CG ARG A 94 10.876 3.050 -3.616 1.00 0.43 C ATOM 1410 CD ARG A 94 11.040 3.670 -4.994 1.00 0.57 C ATOM 1411 NE ARG A 94 11.995 4.779 -5.017 1.00 1.04 N ATOM 1412 CZ ARG A 94 12.776 5.054 -6.067 1.00 1.41 C ATOM 1413 NH1 ARG A 94 12.790 4.248 -7.118 1.00 1.57 N ATOM 1414 NH2 ARG A 94 13.542 6.134 -6.071 1.00 2.10 N ATOM 0 H ARG A 94 9.290 5.341 -0.848 1.00 0.27 H new ATOM 0 HA ARG A 94 9.353 2.607 -1.445 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.648 4.670 -2.961 1.00 0.34 H new ATOM 0 HB3 ARG A 94 11.302 4.744 -2.388 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.814 2.582 -3.317 1.00 0.43 H new ATOM 0 HG3 ARG A 94 10.126 2.260 -3.663 1.00 0.43 H new ATOM 0 HD2 ARG A 94 11.368 2.902 -5.694 1.00 0.57 H new ATOM 0 HD3 ARG A 94 10.071 4.026 -5.343 1.00 0.57 H new ATOM 0 HE ARG A 94 12.068 5.372 -4.190 1.00 1.04 H new ATOM 0 HH11 ARG A 94 12.203 3.414 -7.129 1.00 1.57 H new ATOM 0 HH12 ARG A 94 13.387 4.462 -7.917 1.00 1.57 H new ATOM 0 HH21 ARG A 94 13.539 6.764 -5.269 1.00 2.10 H new ATOM 0 HH22 ARG A 94 14.135 6.336 -6.876 1.00 2.10 H new ATOM 1428 N LYS A 95 12.044 3.791 0.043 1.00 0.33 N ATOM 1429 CA LYS A 95 13.266 3.432 0.711 1.00 0.40 C ATOM 1430 C LYS A 95 12.959 2.698 2.012 1.00 0.42 C ATOM 1431 O LYS A 95 13.627 1.730 2.366 1.00 0.46 O ATOM 1432 CB LYS A 95 14.063 4.711 0.964 1.00 0.46 C ATOM 1433 CG LYS A 95 15.415 4.509 1.614 1.00 0.64 C ATOM 1434 CD LYS A 95 15.294 4.307 3.117 1.00 0.56 C ATOM 1435 CE LYS A 95 16.362 3.366 3.654 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.735 3.890 3.417 1.00 0.96 N ATOM 0 H LYS A 95 11.847 4.792 0.041 1.00 0.33 H new ATOM 0 HA LYS A 95 13.857 2.756 0.092 1.00 0.40 H new ATOM 0 HB2 LYS A 95 14.208 5.224 0.013 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.469 5.372 1.596 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.907 3.644 1.169 1.00 0.64 H new ATOM 0 HG3 LYS A 95 16.048 5.373 1.413 1.00 0.64 H new ATOM 0 HD2 LYS A 95 15.374 5.271 3.620 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.307 3.907 3.351 1.00 0.56 H new ATOM 0 HE2 LYS A 95 16.210 3.217 4.723 1.00 0.60 H new ATOM 0 HE3 LYS A 95 16.259 2.391 3.178 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 18.431 3.245 3.842 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.908 3.960 2.394 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.827 4.832 3.849 1.00 0.96 H new ATOM 1450 N ARG A 96 11.933 3.160 2.711 1.00 0.45 N ATOM 1451 CA ARG A 96 11.601 2.615 4.019 1.00 0.51 C ATOM 1452 C ARG A 96 11.064 1.191 3.929 1.00 0.57 C ATOM 1453 O ARG A 96 11.080 0.462 4.921 1.00 0.72 O ATOM 1454 CB ARG A 96 10.617 3.506 4.779 1.00 0.55 C ATOM 1455 CG ARG A 96 11.161 4.893 5.079 1.00 0.59 C ATOM 1456 CD ARG A 96 12.562 4.841 5.669 1.00 0.72 C ATOM 1457 NE ARG A 96 13.132 6.180 5.818 1.00 1.98 N ATOM 1458 CZ ARG A 96 14.341 6.439 6.322 1.00 2.35 C ATOM 1459 NH1 ARG A 96 15.127 5.452 6.746 1.00 1.58 N ATOM 1460 NH2 ARG A 96 14.755 7.696 6.408 1.00 3.57 N ATOM 0 H ARG A 96 11.317 3.909 2.395 1.00 0.45 H new ATOM 0 HA ARG A 96 12.535 2.587 4.580 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.701 3.602 4.196 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.348 3.019 5.717 1.00 0.55 H new ATOM 0 HG2 ARG A 96 11.175 5.483 4.162 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.493 5.401 5.775 1.00 0.59 H new ATOM 0 HD2 ARG A 96 12.530 4.348 6.641 1.00 0.72 H new ATOM 0 HD3 ARG A 96 13.206 4.240 5.027 1.00 0.72 H new ATOM 0 HE ARG A 96 12.565 6.972 5.515 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.808 4.485 6.688 1.00 1.58 H new ATOM 0 HH12 ARG A 96 16.049 5.663 7.129 1.00 1.58 H new ATOM 0 HH21 ARG A 96 14.151 8.455 6.091 1.00 3.57 H new ATOM 0 HH22 ARG A 96 15.677 7.904 6.792 1.00 3.57 H new ATOM 1474 N LEU A 97 10.531 0.806 2.776 1.00 0.52 N ATOM 1475 CA LEU A 97 10.086 -0.569 2.592 1.00 0.57 C ATOM 1476 C LEU A 97 11.123 -1.411 1.841 1.00 0.64 C ATOM 1477 O LEU A 97 11.042 -2.635 1.858 1.00 0.96 O ATOM 1478 CB LEU A 97 8.705 -0.631 1.909 1.00 0.70 C ATOM 1479 CG LEU A 97 8.561 0.087 0.563 1.00 0.88 C ATOM 1480 CD1 LEU A 97 9.071 -0.777 -0.580 1.00 1.45 C ATOM 1481 CD2 LEU A 97 7.111 0.475 0.327 1.00 1.65 C ATOM 0 H LEU A 97 10.398 1.414 1.968 1.00 0.52 H new ATOM 0 HA LEU A 97 9.979 -1.005 3.585 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.446 -1.680 1.763 1.00 0.70 H new ATOM 0 HB3 LEU A 97 7.969 -0.214 2.596 1.00 0.70 H new ATOM 0 HG LEU A 97 9.169 0.991 0.596 1.00 0.88 H new ATOM 0 HD11 LEU A 97 8.955 -0.240 -1.522 1.00 1.45 H new ATOM 0 HD12 LEU A 97 10.124 -1.007 -0.420 1.00 1.45 H new ATOM 0 HD13 LEU A 97 8.499 -1.704 -0.618 1.00 1.45 H new ATOM 0 HD21 LEU A 97 7.022 0.984 -0.633 1.00 1.65 H new ATOM 0 HD22 LEU A 97 6.491 -0.421 0.321 1.00 1.65 H new ATOM 0 HD23 LEU A 97 6.778 1.141 1.123 1.00 1.65 H new ATOM 1493 N THR A 98 12.115 -0.768 1.215 1.00 0.54 N ATOM 1494 CA THR A 98 13.147 -1.504 0.482 1.00 0.65 C ATOM 1495 C THR A 98 14.476 -1.353 1.175 1.00 0.74 C ATOM 1496 O THR A 98 15.277 -0.464 0.879 1.00 1.53 O ATOM 1497 CB THR A 98 13.285 -1.081 -0.999 1.00 0.92 C ATOM 1498 OG1 THR A 98 11.999 -0.787 -1.552 1.00 1.15 O ATOM 1499 CG2 THR A 98 13.943 -2.193 -1.818 1.00 1.12 C ATOM 0 H THR A 98 12.224 0.246 1.201 1.00 0.54 H new ATOM 0 HA THR A 98 12.830 -2.547 0.479 1.00 0.65 H new ATOM 0 HB THR A 98 13.911 -0.190 -1.039 1.00 0.92 H new ATOM 0 HG1 THR A 98 11.720 0.110 -1.273 1.00 1.15 H new ATOM 0 HG21 THR A 98 14.031 -1.876 -2.857 1.00 1.12 H new ATOM 0 HG22 THR A 98 14.935 -2.402 -1.417 1.00 1.12 H new ATOM 0 HG23 THR A 98 13.333 -3.094 -1.764 1.00 1.12 H new ATOM 1507 N LYS A 99 14.669 -2.228 2.127 1.00 0.79 N ATOM 1508 CA LYS A 99 15.854 -2.260 2.930 1.00 1.12 C ATOM 1509 C LYS A 99 16.550 -3.596 2.772 1.00 1.36 C ATOM 1510 O LYS A 99 15.974 -4.650 3.057 1.00 2.28 O ATOM 1511 CB LYS A 99 15.455 -2.037 4.370 1.00 1.29 C ATOM 1512 CG LYS A 99 15.864 -0.700 4.934 1.00 1.18 C ATOM 1513 CD LYS A 99 15.087 -0.428 6.203 1.00 1.56 C ATOM 1514 CE LYS A 99 13.605 -0.344 5.891 1.00 1.98 C ATOM 1515 NZ LYS A 99 12.751 -0.466 7.098 1.00 2.72 N ATOM 0 H LYS A 99 13.991 -2.951 2.367 1.00 0.79 H new ATOM 0 HA LYS A 99 16.547 -1.480 2.614 1.00 1.12 H new ATOM 0 HB2 LYS A 99 14.373 -2.136 4.453 1.00 1.29 H new ATOM 0 HB3 LYS A 99 15.895 -2.825 4.982 1.00 1.29 H new ATOM 0 HG2 LYS A 99 16.934 -0.693 5.142 1.00 1.18 H new ATOM 0 HG3 LYS A 99 15.676 0.087 4.204 1.00 1.18 H new ATOM 0 HD2 LYS A 99 15.271 -1.220 6.929 1.00 1.56 H new ATOM 0 HD3 LYS A 99 15.426 0.504 6.655 1.00 1.56 H new ATOM 0 HE2 LYS A 99 13.396 0.606 5.399 1.00 1.98 H new ATOM 0 HE3 LYS A 99 13.342 -1.132 5.186 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 11.785 -0.153 6.873 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 12.730 -1.458 7.409 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 13.139 0.127 7.859 1.00 2.72 H new ATOM 1529 N ARG A 100 17.772 -3.537 2.285 1.00 1.04 N ATOM 1530 CA ARG A 100 18.617 -4.718 2.109 1.00 1.17 C ATOM 1531 C ARG A 100 19.030 -5.336 3.463 1.00 1.12 C ATOM 1532 O ARG A 100 20.200 -5.659 3.682 1.00 1.39 O ATOM 1533 CB ARG A 100 19.861 -4.331 1.296 1.00 1.55 C ATOM 1534 CG ARG A 100 20.776 -3.327 1.994 1.00 2.10 C ATOM 1535 CD ARG A 100 21.936 -2.900 1.103 1.00 2.50 C ATOM 1536 NE ARG A 100 23.078 -2.421 1.883 1.00 3.10 N ATOM 1537 CZ ARG A 100 23.760 -1.304 1.627 1.00 3.59 C ATOM 1538 NH1 ARG A 100 23.393 -0.495 0.644 1.00 3.60 N ATOM 1539 NH2 ARG A 100 24.814 -1.003 2.370 1.00 4.38 N ATOM 0 H ARG A 100 18.217 -2.666 1.996 1.00 1.04 H new ATOM 0 HA ARG A 100 18.044 -5.474 1.573 1.00 1.17 H new ATOM 0 HB2 ARG A 100 20.432 -5.233 1.074 1.00 1.55 H new ATOM 0 HB3 ARG A 100 19.542 -3.913 0.341 1.00 1.55 H new ATOM 0 HG2 ARG A 100 20.198 -2.449 2.283 1.00 2.10 H new ATOM 0 HG3 ARG A 100 21.166 -3.768 2.911 1.00 2.10 H new ATOM 0 HD2 ARG A 100 22.247 -3.742 0.484 1.00 2.50 H new ATOM 0 HD3 ARG A 100 21.603 -2.113 0.427 1.00 2.50 H new ATOM 0 HE ARG A 100 23.374 -2.983 2.681 1.00 3.10 H new ATOM 0 HH11 ARG A 100 22.580 -0.723 0.072 1.00 3.60 H new ATOM 0 HH12 ARG A 100 23.924 0.356 0.459 1.00 3.60 H new ATOM 0 HH21 ARG A 100 25.097 -1.623 3.129 1.00 4.38 H new ATOM 0 HH22 ARG A 100 25.343 -0.151 2.183 1.00 4.38 H new ATOM 1553 N SER A 101 18.062 -5.541 4.355 1.00 1.05 N ATOM 1554 CA SER A 101 18.371 -5.976 5.715 1.00 1.37 C ATOM 1555 C SER A 101 17.236 -6.797 6.335 1.00 1.22 C ATOM 1556 O SER A 101 17.459 -7.920 6.794 1.00 1.64 O ATOM 1557 CB SER A 101 18.677 -4.749 6.589 1.00 1.90 C ATOM 1558 OG SER A 101 19.064 -5.114 7.904 1.00 2.51 O ATOM 0 H SER A 101 17.068 -5.415 4.163 1.00 1.05 H new ATOM 0 HA SER A 101 19.245 -6.626 5.666 1.00 1.37 H new ATOM 0 HB2 SER A 101 19.472 -4.164 6.127 1.00 1.90 H new ATOM 0 HB3 SER A 101 17.796 -4.109 6.635 1.00 1.90 H new ATOM 0 HG SER A 101 19.251 -4.306 8.426 1.00 2.51 H new ATOM 1564 N GLU A 102 16.025 -6.244 6.342 1.00 1.06 N ATOM 1565 CA GLU A 102 14.909 -6.852 7.067 1.00 1.19 C ATOM 1566 C GLU A 102 14.405 -8.127 6.393 1.00 0.93 C ATOM 1567 O GLU A 102 14.618 -8.342 5.201 1.00 1.34 O ATOM 1568 CB GLU A 102 13.766 -5.852 7.211 1.00 1.63 C ATOM 1569 CG GLU A 102 14.160 -4.603 7.976 1.00 2.12 C ATOM 1570 CD GLU A 102 12.976 -3.724 8.300 1.00 2.70 C ATOM 1571 OE1 GLU A 102 12.495 -3.012 7.402 1.00 2.95 O ATOM 1572 OE2 GLU A 102 12.516 -3.748 9.458 1.00 3.40 O ATOM 0 H GLU A 102 15.791 -5.379 5.856 1.00 1.06 H new ATOM 0 HA GLU A 102 15.280 -7.129 8.054 1.00 1.19 H new ATOM 0 HB2 GLU A 102 13.413 -5.567 6.220 1.00 1.63 H new ATOM 0 HB3 GLU A 102 12.931 -6.334 7.720 1.00 1.63 H new ATOM 0 HG2 GLU A 102 14.659 -4.890 8.902 1.00 2.12 H new ATOM 0 HG3 GLU A 102 14.881 -4.034 7.389 1.00 2.12 H new ATOM 1579 N GLU A 103 13.730 -8.965 7.172 1.00 0.74 N ATOM 1580 CA GLU A 103 13.222 -10.237 6.677 1.00 0.68 C ATOM 1581 C GLU A 103 11.764 -10.121 6.235 1.00 0.54 C ATOM 1582 O GLU A 103 11.269 -10.957 5.485 1.00 0.61 O ATOM 1583 CB GLU A 103 13.335 -11.320 7.759 1.00 0.95 C ATOM 1584 CG GLU A 103 12.436 -11.070 8.965 1.00 1.37 C ATOM 1585 CD GLU A 103 12.370 -12.257 9.904 1.00 2.16 C ATOM 1586 OE1 GLU A 103 11.854 -13.318 9.499 1.00 2.68 O ATOM 1587 OE2 GLU A 103 12.848 -12.134 11.051 1.00 2.58 O ATOM 0 H GLU A 103 13.522 -8.784 8.154 1.00 0.74 H new ATOM 0 HA GLU A 103 13.829 -10.515 5.815 1.00 0.68 H new ATOM 0 HB2 GLU A 103 13.083 -12.287 7.322 1.00 0.95 H new ATOM 0 HB3 GLU A 103 14.370 -11.381 8.094 1.00 0.95 H new ATOM 0 HG2 GLU A 103 12.802 -10.200 9.511 1.00 1.37 H new ATOM 0 HG3 GLU A 103 11.431 -10.830 8.619 1.00 1.37 H new ATOM 1594 N VAL A 104 11.088 -9.080 6.689 1.00 0.40 N ATOM 1595 CA VAL A 104 9.655 -8.953 6.476 1.00 0.33 C ATOM 1596 C VAL A 104 9.285 -7.497 6.208 1.00 0.29 C ATOM 1597 O VAL A 104 9.932 -6.579 6.716 1.00 0.34 O ATOM 1598 CB VAL A 104 8.868 -9.517 7.687 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.330 -8.873 8.982 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.366 -9.344 7.503 1.00 0.37 C ATOM 0 H VAL A 104 11.508 -8.309 7.208 1.00 0.40 H new ATOM 0 HA VAL A 104 9.381 -9.540 5.599 1.00 0.33 H new ATOM 0 HB VAL A 104 9.075 -10.586 7.745 1.00 0.38 H new ATOM 0 HG11 VAL A 104 8.763 -9.286 9.816 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.391 -9.074 9.130 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.168 -7.796 8.931 1.00 0.44 H new ATOM 0 HG21 VAL A 104 6.844 -9.750 8.370 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.132 -8.284 7.402 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.046 -9.874 6.606 1.00 0.37 H new ATOM 1610 N VAL A 105 8.256 -7.294 5.401 1.00 0.28 N ATOM 1611 CA VAL A 105 7.882 -5.971 4.956 1.00 0.28 C ATOM 1612 C VAL A 105 6.480 -5.614 5.382 1.00 0.26 C ATOM 1613 O VAL A 105 5.510 -6.303 5.065 1.00 0.26 O ATOM 1614 CB VAL A 105 8.012 -5.832 3.444 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.337 -4.560 2.968 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.475 -5.844 3.094 1.00 0.46 C ATOM 0 H VAL A 105 7.662 -8.041 5.040 1.00 0.28 H new ATOM 0 HA VAL A 105 8.574 -5.276 5.431 1.00 0.28 H new ATOM 0 HB VAL A 105 7.515 -6.663 2.943 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.439 -4.477 1.886 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.280 -4.589 3.231 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.806 -3.699 3.444 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.592 -5.746 2.015 1.00 0.46 H new ATOM 0 HG22 VAL A 105 9.975 -5.012 3.590 1.00 0.46 H new ATOM 0 HG23 VAL A 105 9.920 -6.783 3.423 1.00 0.46 H new ATOM 1626 N ARG A 106 6.413 -4.558 6.150 1.00 0.29 N ATOM 1627 CA ARG A 106 5.198 -4.123 6.764 1.00 0.28 C ATOM 1628 C ARG A 106 4.594 -2.946 6.028 1.00 0.26 C ATOM 1629 O ARG A 106 5.251 -1.932 5.828 1.00 0.32 O ATOM 1630 CB ARG A 106 5.499 -3.767 8.199 1.00 0.35 C ATOM 1631 CG ARG A 106 5.962 -4.953 9.023 1.00 0.43 C ATOM 1632 CD ARG A 106 7.411 -5.349 8.723 1.00 0.54 C ATOM 1633 NE ARG A 106 8.124 -5.763 9.934 1.00 0.81 N ATOM 1634 CZ ARG A 106 9.403 -5.481 10.182 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.136 -4.873 9.264 1.00 1.76 N ATOM 1636 NH2 ARG A 106 9.954 -5.836 11.331 1.00 1.46 N ATOM 0 H ARG A 106 7.218 -3.970 6.366 1.00 0.29 H new ATOM 0 HA ARG A 106 4.462 -4.926 6.724 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.268 -2.995 8.222 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.606 -3.341 8.656 1.00 0.35 H new ATOM 0 HG2 ARG A 106 5.866 -4.714 10.082 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.309 -5.804 8.828 1.00 0.43 H new ATOM 0 HD2 ARG A 106 7.423 -6.163 7.998 1.00 0.54 H new ATOM 0 HD3 ARG A 106 7.931 -4.507 8.265 1.00 0.54 H new ATOM 0 HE ARG A 106 7.609 -6.301 10.631 1.00 0.81 H new ATOM 0 HH11 ARG A 106 9.723 -4.620 8.367 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.115 -4.657 9.454 1.00 1.76 H new ATOM 0 HH21 ARG A 106 9.400 -6.328 12.032 1.00 1.46 H new ATOM 0 HH22 ARG A 106 10.933 -5.618 11.516 1.00 1.46 H new ATOM 1650 N LEU A 107 3.357 -3.078 5.624 1.00 0.24 N ATOM 1651 CA LEU A 107 2.655 -1.958 5.016 1.00 0.24 C ATOM 1652 C LEU A 107 1.263 -1.801 5.605 1.00 0.21 C ATOM 1653 O LEU A 107 0.502 -2.766 5.712 1.00 0.28 O ATOM 1654 CB LEU A 107 2.595 -2.063 3.482 1.00 0.37 C ATOM 1655 CG LEU A 107 2.183 -3.417 2.901 1.00 0.57 C ATOM 1656 CD1 LEU A 107 1.442 -3.219 1.590 1.00 0.98 C ATOM 1657 CD2 LEU A 107 3.409 -4.296 2.677 1.00 1.12 C ATOM 0 H LEU A 107 2.812 -3.937 5.700 1.00 0.24 H new ATOM 0 HA LEU A 107 3.231 -1.062 5.249 1.00 0.24 H new ATOM 0 HB2 LEU A 107 1.897 -1.310 3.117 1.00 0.37 H new ATOM 0 HB3 LEU A 107 3.577 -1.807 3.085 1.00 0.37 H new ATOM 0 HG LEU A 107 1.522 -3.913 3.612 1.00 0.57 H new ATOM 0 HD11 LEU A 107 1.153 -4.189 1.185 1.00 0.98 H new ATOM 0 HD12 LEU A 107 0.549 -2.618 1.764 1.00 0.98 H new ATOM 0 HD13 LEU A 107 2.091 -2.708 0.879 1.00 0.98 H new ATOM 0 HD21 LEU A 107 3.098 -5.255 2.263 1.00 1.12 H new ATOM 0 HD22 LEU A 107 4.088 -3.803 1.981 1.00 1.12 H new ATOM 0 HD23 LEU A 107 3.919 -4.458 3.627 1.00 1.12 H new ATOM 1669 N LEU A 108 0.932 -0.580 5.993 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.364 -0.288 6.531 1.00 0.15 C ATOM 1671 C LEU A 108 -1.147 0.398 5.445 1.00 0.15 C ATOM 1672 O LEU A 108 -0.784 1.479 5.028 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.219 0.622 7.753 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.511 1.215 8.313 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.475 0.105 8.699 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -1.200 2.088 9.520 1.00 0.26 C ATOM 0 H LEU A 108 1.557 0.224 5.940 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.877 -1.195 6.851 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.269 0.055 8.546 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.449 1.443 7.491 1.00 0.19 H new ATOM 0 HG LEU A 108 -1.980 1.830 7.545 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.391 0.541 9.097 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.710 -0.495 7.820 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -2.016 -0.528 9.458 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -2.126 2.507 9.914 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.718 1.486 10.290 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.533 2.897 9.222 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.186 -0.229 4.956 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.929 0.352 3.863 1.00 0.21 C ATOM 1690 C VAL A 109 -4.348 0.630 4.277 1.00 0.22 C ATOM 1691 O VAL A 109 -4.890 -0.024 5.161 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.948 -0.552 2.611 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -1.543 -0.870 2.130 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -3.721 -1.823 2.867 1.00 0.77 C ATOM 0 H VAL A 109 -2.534 -1.128 5.289 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.419 1.281 3.607 1.00 0.21 H new ATOM 0 HB VAL A 109 -3.454 0.003 1.821 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -1.596 -1.508 1.248 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -1.026 0.056 1.878 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -0.997 -1.387 2.919 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -3.717 -2.439 1.968 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -3.256 -2.373 3.685 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -4.749 -1.576 3.133 1.00 0.77 H new ATOM 1704 N THR A 110 -4.941 1.610 3.657 1.00 0.22 N ATOM 1705 CA THR A 110 -6.362 1.775 3.777 1.00 0.25 C ATOM 1706 C THR A 110 -7.047 1.109 2.593 1.00 0.26 C ATOM 1707 O THR A 110 -6.880 1.526 1.444 1.00 0.30 O ATOM 1708 CB THR A 110 -6.747 3.246 3.808 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.650 4.048 4.259 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.924 3.457 4.721 1.00 0.33 C ATOM 0 H THR A 110 -4.470 2.299 3.070 1.00 0.22 H new ATOM 0 HA THR A 110 -6.680 1.314 4.712 1.00 0.25 H new ATOM 0 HB THR A 110 -7.013 3.546 2.795 1.00 0.30 H new ATOM 0 HG1 THR A 110 -4.979 4.115 3.548 1.00 0.34 H new ATOM 0 HG21 THR A 110 -8.189 4.514 4.734 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.772 2.874 4.362 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.664 3.136 5.730 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.813 0.077 2.901 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.400 -0.798 1.909 1.00 0.37 C ATOM 1720 C ARG A 111 -9.885 -0.512 1.760 1.00 0.42 C ATOM 1721 O ARG A 111 -10.566 -0.207 2.734 1.00 0.49 O ATOM 1722 CB ARG A 111 -8.147 -2.242 2.352 1.00 0.53 C ATOM 1723 CG ARG A 111 -9.362 -3.160 2.350 1.00 0.47 C ATOM 1724 CD ARG A 111 -9.058 -4.427 3.134 1.00 0.58 C ATOM 1725 NE ARG A 111 -10.194 -5.346 3.198 1.00 1.06 N ATOM 1726 CZ ARG A 111 -10.152 -6.527 3.822 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -9.029 -6.928 4.413 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -11.223 -7.310 3.841 1.00 2.01 N ATOM 0 H ARG A 111 -8.046 -0.178 3.861 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.947 -0.631 0.932 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -7.388 -2.674 1.700 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -7.730 -2.225 3.359 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -10.217 -2.646 2.790 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -9.635 -3.413 1.326 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.211 -4.937 2.675 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -8.758 -4.158 4.147 1.00 0.58 H new ATOM 0 HE ARG A 111 -11.064 -5.071 2.742 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -8.200 -6.334 4.390 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -8.997 -7.829 4.889 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -12.082 -7.011 3.378 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -11.188 -8.211 4.318 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.372 -0.602 0.540 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.760 -0.287 0.247 1.00 0.71 C ATOM 1744 C GLN A 112 -12.531 -1.547 -0.112 1.00 0.89 C ATOM 1745 O GLN A 112 -13.072 -2.222 0.764 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.861 0.753 -0.878 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.577 0.933 -1.666 1.00 0.71 C ATOM 1748 CD GLN A 112 -9.523 1.709 -0.883 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -9.845 2.592 -0.086 1.00 1.97 O ATOM 1750 NE2 GLN A 112 -8.261 1.373 -1.084 1.00 0.66 N ATOM 0 H GLN A 112 -9.826 -0.892 -0.271 1.00 0.56 H new ATOM 0 HA GLN A 112 -12.207 0.143 1.143 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -12.657 0.458 -1.562 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -12.149 1.712 -0.448 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -10.179 -0.045 -1.937 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -10.795 1.457 -2.597 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -8.029 0.637 -1.751 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.519 1.849 -0.572 1.00 0.66 H new ATOM 1759 N SER A 113 -12.540 -1.886 -1.391 1.00 0.79 N ATOM 1760 CA SER A 113 -13.261 -3.059 -1.854 1.00 0.96 C ATOM 1761 C SER A 113 -12.754 -3.508 -3.208 1.00 0.89 C ATOM 1762 O SER A 113 -13.397 -3.295 -4.234 1.00 1.18 O ATOM 1763 CB SER A 113 -14.754 -2.772 -1.934 1.00 1.25 C ATOM 1764 OG SER A 113 -15.503 -3.950 -2.193 1.00 1.62 O ATOM 0 H SER A 113 -12.058 -1.367 -2.125 1.00 0.79 H new ATOM 0 HA SER A 113 -13.090 -3.860 -1.135 1.00 0.96 H new ATOM 0 HB2 SER A 113 -15.089 -2.326 -0.998 1.00 1.25 H new ATOM 0 HB3 SER A 113 -14.942 -2.041 -2.720 1.00 1.25 H new ATOM 0 HG SER A 113 -16.457 -3.728 -2.236 1.00 1.62 H new ATOM 1770 N LEU A 114 -11.586 -4.106 -3.199 1.00 0.90 N ATOM 1771 CA LEU A 114 -10.958 -4.576 -4.421 1.00 0.94 C ATOM 1772 C LEU A 114 -10.669 -6.065 -4.320 1.00 1.13 C ATOM 1773 O LEU A 114 -10.272 -6.707 -5.294 1.00 1.65 O ATOM 1774 CB LEU A 114 -9.672 -3.792 -4.649 1.00 0.90 C ATOM 1775 CG LEU A 114 -9.759 -2.318 -4.247 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -8.385 -1.695 -4.264 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -10.727 -1.556 -5.150 1.00 1.23 C ATOM 0 H LEU A 114 -11.044 -4.282 -2.353 1.00 0.90 H new ATOM 0 HA LEU A 114 -11.629 -4.419 -5.266 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.867 -4.264 -4.086 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -9.403 -3.855 -5.703 1.00 0.90 H new ATOM 0 HG LEU A 114 -10.151 -2.258 -3.232 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -8.458 -0.646 -3.977 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -7.739 -2.220 -3.561 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -7.965 -1.768 -5.267 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -10.768 -0.512 -4.840 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -10.384 -1.615 -6.183 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -11.721 -1.997 -5.072 1.00 1.23 H new ATOM 1789 N GLN A 115 -10.837 -6.579 -3.105 1.00 1.02 N ATOM 1790 CA GLN A 115 -10.769 -8.017 -2.817 1.00 1.26 C ATOM 1791 C GLN A 115 -11.466 -8.860 -3.889 1.00 1.27 C ATOM 1792 O GLN A 115 -12.528 -8.491 -4.397 1.00 1.34 O ATOM 1793 CB GLN A 115 -11.420 -8.319 -1.464 1.00 1.55 C ATOM 1794 CG GLN A 115 -10.431 -8.726 -0.389 1.00 2.26 C ATOM 1795 CD GLN A 115 -9.636 -7.560 0.159 1.00 2.88 C ATOM 1796 OE1 GLN A 115 -10.269 -6.406 0.263 1.00 3.53 O flip ATOM 1797 NE2 GLN A 115 -8.475 -7.708 0.524 1.00 3.18 N flip ATOM 0 H GLN A 115 -11.026 -6.007 -2.282 1.00 1.02 H new ATOM 0 HA GLN A 115 -9.712 -8.282 -2.803 1.00 1.26 H new ATOM 0 HB2 GLN A 115 -11.965 -7.437 -1.128 1.00 1.55 H new ATOM 0 HB3 GLN A 115 -12.152 -9.117 -1.593 1.00 1.55 H new ATOM 0 HG2 GLN A 115 -10.969 -9.207 0.428 1.00 2.26 H new ATOM 0 HG3 GLN A 115 -9.744 -9.467 -0.798 1.00 2.26 H new ATOM 0 HE21 GLN A 115 -8.022 -8.616 0.426 1.00 3.18 H new ATOM 0 HE22 GLN A 115 -7.963 -6.923 0.925 1.00 3.18 H new ATOM 1806 N LYS A 116 -10.875 -10.011 -4.205 1.00 1.61 N ATOM 1807 CA LYS A 116 -11.414 -10.890 -5.242 1.00 1.82 C ATOM 1808 C LYS A 116 -11.423 -12.348 -4.784 1.00 2.23 C ATOM 1809 O LYS A 116 -10.367 -12.933 -4.551 1.00 2.85 O ATOM 1810 CB LYS A 116 -10.587 -10.771 -6.529 1.00 2.03 C ATOM 1811 CG LYS A 116 -10.476 -9.353 -7.061 1.00 2.25 C ATOM 1812 CD LYS A 116 -9.565 -9.275 -8.273 1.00 2.52 C ATOM 1813 CE LYS A 116 -9.311 -7.836 -8.689 1.00 3.01 C ATOM 1814 NZ LYS A 116 -10.561 -7.121 -9.053 1.00 3.60 N ATOM 0 H LYS A 116 -10.025 -10.356 -3.759 1.00 1.61 H new ATOM 0 HA LYS A 116 -12.440 -10.577 -5.435 1.00 1.82 H new ATOM 0 HB2 LYS A 116 -9.585 -11.158 -6.342 1.00 2.03 H new ATOM 0 HB3 LYS A 116 -11.035 -11.402 -7.296 1.00 2.03 H new ATOM 0 HG2 LYS A 116 -11.467 -8.986 -7.327 1.00 2.25 H new ATOM 0 HG3 LYS A 116 -10.094 -8.699 -6.277 1.00 2.25 H new ATOM 0 HD2 LYS A 116 -8.616 -9.762 -8.048 1.00 2.52 H new ATOM 0 HD3 LYS A 116 -10.015 -9.820 -9.103 1.00 2.52 H new ATOM 0 HE2 LYS A 116 -8.818 -7.307 -7.874 1.00 3.01 H new ATOM 0 HE3 LYS A 116 -8.627 -7.822 -9.538 1.00 3.01 H new ATOM 0 HZ1 LYS A 116 -10.326 -6.179 -9.426 1.00 3.60 H new ATOM 0 HZ2 LYS A 116 -11.072 -7.663 -9.779 1.00 3.60 H new ATOM 0 HZ3 LYS A 116 -11.161 -7.020 -8.210 1.00 3.60 H new ATOM 1828 N ALA A 117 -12.625 -12.909 -4.627 1.00 2.34 N ATOM 1829 CA ALA A 117 -12.816 -14.347 -4.387 1.00 2.83 C ATOM 1830 C ALA A 117 -12.150 -14.832 -3.097 1.00 3.08 C ATOM 1831 O ALA A 117 -11.904 -16.025 -2.926 1.00 3.56 O ATOM 1832 CB ALA A 117 -12.307 -15.147 -5.581 1.00 3.37 C ATOM 0 H ALA A 117 -13.496 -12.380 -4.662 1.00 2.34 H new ATOM 0 HA ALA A 117 -13.887 -14.510 -4.264 1.00 2.83 H new ATOM 0 HB1 ALA A 117 -12.452 -16.211 -5.395 1.00 3.37 H new ATOM 0 HB2 ALA A 117 -12.858 -14.857 -6.475 1.00 3.37 H new ATOM 0 HB3 ALA A 117 -11.246 -14.946 -5.728 1.00 3.37 H new ATOM 1838 N VAL A 118 -11.906 -13.919 -2.173 1.00 3.17 N ATOM 1839 CA VAL A 118 -11.216 -14.260 -0.933 1.00 3.87 C ATOM 1840 C VAL A 118 -12.201 -14.766 0.116 1.00 4.45 C ATOM 1841 O VAL A 118 -11.844 -15.499 1.033 1.00 4.99 O ATOM 1842 CB VAL A 118 -10.438 -13.050 -0.377 1.00 4.04 C ATOM 1843 CG1 VAL A 118 -11.394 -11.948 0.051 1.00 4.19 C ATOM 1844 CG2 VAL A 118 -9.531 -13.464 0.777 1.00 4.70 C ATOM 0 H VAL A 118 -12.173 -12.938 -2.254 1.00 3.17 H new ATOM 0 HA VAL A 118 -10.506 -15.054 -1.163 1.00 3.87 H new ATOM 0 HB VAL A 118 -9.805 -12.660 -1.174 1.00 4.04 H new ATOM 0 HG11 VAL A 118 -10.825 -11.104 0.440 1.00 4.19 H new ATOM 0 HG12 VAL A 118 -11.983 -11.624 -0.807 1.00 4.19 H new ATOM 0 HG13 VAL A 118 -12.060 -12.325 0.827 1.00 4.19 H new ATOM 0 HG21 VAL A 118 -8.995 -12.591 1.149 1.00 4.70 H new ATOM 0 HG22 VAL A 118 -10.134 -13.889 1.579 1.00 4.70 H new ATOM 0 HG23 VAL A 118 -8.815 -14.208 0.428 1.00 4.70 H new ATOM 1854 N GLN A 119 -13.451 -14.386 -0.057 1.00 4.69 N ATOM 1855 CA GLN A 119 -14.498 -14.708 0.898 1.00 5.46 C ATOM 1856 C GLN A 119 -15.362 -15.844 0.368 1.00 5.68 C ATOM 1857 O GLN A 119 -16.418 -16.154 0.921 1.00 6.25 O ATOM 1858 CB GLN A 119 -15.355 -13.465 1.151 1.00 6.13 C ATOM 1859 CG GLN A 119 -15.954 -12.887 -0.126 1.00 6.63 C ATOM 1860 CD GLN A 119 -16.644 -11.553 0.085 1.00 7.30 C ATOM 1861 OE1 GLN A 119 -16.261 -10.770 0.951 1.00 7.63 O ATOM 1862 NE2 GLN A 119 -17.659 -11.284 -0.721 1.00 7.77 N ATOM 0 H GLN A 119 -13.772 -13.846 -0.861 1.00 4.69 H new ATOM 0 HA GLN A 119 -14.044 -15.029 1.836 1.00 5.46 H new ATOM 0 HB2 GLN A 119 -16.160 -13.719 1.841 1.00 6.13 H new ATOM 0 HB3 GLN A 119 -14.746 -12.703 1.638 1.00 6.13 H new ATOM 0 HG2 GLN A 119 -15.164 -12.766 -0.867 1.00 6.63 H new ATOM 0 HG3 GLN A 119 -16.671 -13.598 -0.537 1.00 6.63 H new ATOM 0 HE21 GLN A 119 -17.944 -11.963 -1.427 1.00 7.77 H new ATOM 0 HE22 GLN A 119 -18.156 -10.397 -0.636 1.00 7.77 H new ATOM 1871 N GLN A 120 -14.900 -16.470 -0.706 1.00 5.58 N ATOM 1872 CA GLN A 120 -15.687 -17.481 -1.395 1.00 6.13 C ATOM 1873 C GLN A 120 -15.042 -18.853 -1.251 1.00 6.54 C ATOM 1874 O GLN A 120 -14.273 -19.283 -2.109 1.00 6.55 O ATOM 1875 CB GLN A 120 -15.824 -17.121 -2.875 1.00 6.11 C ATOM 1876 CG GLN A 120 -16.129 -15.652 -3.107 1.00 5.63 C ATOM 1877 CD GLN A 120 -16.244 -15.293 -4.572 1.00 5.87 C ATOM 1878 OE1 GLN A 120 -15.643 -15.935 -5.435 1.00 6.60 O ATOM 1879 NE2 GLN A 120 -16.994 -14.243 -4.861 1.00 5.58 N ATOM 0 H GLN A 120 -13.984 -16.295 -1.118 1.00 5.58 H new ATOM 0 HA GLN A 120 -16.678 -17.514 -0.942 1.00 6.13 H new ATOM 0 HB2 GLN A 120 -14.900 -17.380 -3.392 1.00 6.11 H new ATOM 0 HB3 GLN A 120 -16.617 -17.724 -3.317 1.00 6.11 H new ATOM 0 HG2 GLN A 120 -17.061 -15.397 -2.602 1.00 5.63 H new ATOM 0 HG3 GLN A 120 -15.344 -15.048 -2.652 1.00 5.63 H new ATOM 0 HE21 GLN A 120 -17.475 -13.739 -4.116 1.00 5.58 H new ATOM 0 HE22 GLN A 120 -17.092 -13.937 -5.829 1.00 5.58 H new ATOM 1888 N SER A 121 -15.337 -19.523 -0.151 1.00 7.13 N ATOM 1889 CA SER A 121 -14.790 -20.846 0.108 1.00 7.72 C ATOM 1890 C SER A 121 -15.824 -21.913 -0.244 1.00 8.45 C ATOM 1891 O SER A 121 -15.542 -23.115 -0.216 1.00 8.94 O ATOM 1892 CB SER A 121 -14.386 -20.962 1.576 1.00 8.20 C ATOM 1893 OG SER A 121 -13.530 -19.894 1.957 1.00 8.19 O ATOM 0 H SER A 121 -15.955 -19.172 0.581 1.00 7.13 H new ATOM 0 HA SER A 121 -13.906 -20.997 -0.512 1.00 7.72 H new ATOM 0 HB2 SER A 121 -15.278 -20.959 2.203 1.00 8.20 H new ATOM 0 HB3 SER A 121 -13.882 -21.914 1.743 1.00 8.20 H new ATOM 0 HG SER A 121 -13.287 -19.990 2.902 1.00 8.19 H new ATOM 1899 N MET A 122 -17.022 -21.458 -0.584 1.00 8.75 N ATOM 1900 CA MET A 122 -18.113 -22.349 -0.942 1.00 9.65 C ATOM 1901 C MET A 122 -18.199 -22.531 -2.454 1.00 10.25 C ATOM 1902 O MET A 122 -17.507 -21.852 -3.218 1.00 10.41 O ATOM 1903 CB MET A 122 -19.448 -21.814 -0.405 1.00 10.15 C ATOM 1904 CG MET A 122 -19.582 -21.909 1.107 1.00 10.49 C ATOM 1905 SD MET A 122 -19.577 -23.615 1.701 1.00 11.41 S ATOM 1906 CE MET A 122 -21.058 -24.255 0.916 1.00 12.10 C ATOM 0 H MET A 122 -17.263 -20.467 -0.619 1.00 8.75 H new ATOM 0 HA MET A 122 -17.911 -23.319 -0.487 1.00 9.65 H new ATOM 0 HB2 MET A 122 -19.559 -20.772 -0.706 1.00 10.15 H new ATOM 0 HB3 MET A 122 -20.264 -22.368 -0.869 1.00 10.15 H new ATOM 0 HG2 MET A 122 -18.763 -21.363 1.575 1.00 10.49 H new ATOM 0 HG3 MET A 122 -20.507 -21.423 1.417 1.00 10.49 H new ATOM 0 HE1 MET A 122 -21.391 -25.150 1.442 1.00 12.10 H new ATOM 0 HE2 MET A 122 -21.844 -23.500 0.951 1.00 12.10 H new ATOM 0 HE3 MET A 122 -20.841 -24.504 -0.123 1.00 12.10 H new ATOM 1916 N LEU A 123 -19.061 -23.446 -2.870 1.00 10.78 N ATOM 1917 CA LEU A 123 -19.261 -23.744 -4.279 1.00 11.56 C ATOM 1918 C LEU A 123 -20.633 -23.262 -4.727 1.00 12.24 C ATOM 1919 O LEU A 123 -21.617 -23.412 -4.001 1.00 12.56 O ATOM 1920 CB LEU A 123 -19.144 -25.252 -4.519 1.00 11.96 C ATOM 1921 CG LEU A 123 -19.386 -25.710 -5.958 1.00 12.24 C ATOM 1922 CD1 LEU A 123 -18.296 -25.186 -6.874 1.00 12.82 C ATOM 1923 CD2 LEU A 123 -19.458 -27.226 -6.029 1.00 12.37 C ATOM 0 H LEU A 123 -19.641 -24.002 -2.241 1.00 10.78 H new ATOM 0 HA LEU A 123 -18.494 -23.228 -4.857 1.00 11.56 H new ATOM 0 HB2 LEU A 123 -18.148 -25.574 -4.216 1.00 11.96 H new ATOM 0 HB3 LEU A 123 -19.855 -25.762 -3.869 1.00 11.96 H new ATOM 0 HG LEU A 123 -20.341 -25.304 -6.292 1.00 12.24 H new ATOM 0 HD11 LEU A 123 -18.485 -25.522 -7.894 1.00 12.82 H new ATOM 0 HD12 LEU A 123 -18.290 -24.096 -6.846 1.00 12.82 H new ATOM 0 HD13 LEU A 123 -17.329 -25.563 -6.541 1.00 12.82 H new ATOM 0 HD21 LEU A 123 -19.631 -27.534 -7.060 1.00 12.37 H new ATOM 0 HD22 LEU A 123 -18.519 -27.652 -5.675 1.00 12.37 H new ATOM 0 HD23 LEU A 123 -20.276 -27.581 -5.402 1.00 12.37 H new ATOM 1935 N SER A 124 -20.695 -22.674 -5.907 1.00 12.64 N ATOM 1936 CA SER A 124 -21.959 -22.258 -6.479 1.00 13.47 C ATOM 1937 C SER A 124 -22.404 -23.272 -7.529 1.00 14.22 C ATOM 1938 O SER A 124 -21.878 -23.235 -8.661 1.00 14.64 O ATOM 1939 CB SER A 124 -21.843 -20.858 -7.093 1.00 13.50 C ATOM 1940 OG SER A 124 -23.125 -20.328 -7.408 1.00 13.01 O ATOM 1941 OXT SER A 124 -23.265 -24.117 -7.212 1.00 14.49 O ATOM 0 H SER A 124 -19.881 -22.474 -6.489 1.00 12.64 H new ATOM 0 HA SER A 124 -22.708 -22.214 -5.688 1.00 13.47 H new ATOM 0 HB2 SER A 124 -21.333 -20.193 -6.396 1.00 13.50 H new ATOM 0 HB3 SER A 124 -21.233 -20.903 -7.995 1.00 13.50 H new ATOM 0 HG SER A 124 -23.023 -19.434 -7.796 1.00 13.01 H new TER 1947 SER A 124