USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 967 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 109 MET CE :methyl -143:sc= -1.45 (180deg=-2.73) USER MOD Set 1.2: A 144 MET CE :methyl 159:sc= -0.291 (180deg=-0.725) USER MOD Set 2.1: A 107 HIS : no HD1:sc= 0.29 K(o=0.61,f=-0.36) USER MOD Set 2.2: A 111 ASN : amide:sc= 0.316 K(o=0.61,f=-0.29) USER MOD Set 3.1: A 60 ASN : amide:sc= 0.814 K(o=0.96,f=-4.5!) USER MOD Set 3.2: A 62 THR OG1 : rot 20:sc= 0.142 USER MOD Set 4.1: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 71 MET CE :methyl -152:sc= 0 (180deg=0) USER MOD Set 4.3: A 72 MET CE :methyl -124:sc= -0.425 (180deg=-2.47) USER MOD Set 5.1: A 49 GLN : amide:sc= 1.28 K(o=1.9,f=-0.41) USER MOD Set 5.2: A 53 ASN : amide:sc= 0.617 K(o=1.9,f=-0.58) USER MOD Set 6.1: A 5 THR OG1 : rot -35:sc=-0.00975 USER MOD Set 6.2: A 8 GLN : amide:sc= 0 X(o=-0.0098,f=0.15) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0205) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 61:sc= 0.243 USER MOD Single : A 36 MET CE :methyl 171:sc=-0.00129 (180deg=-0.22) USER MOD Single : A 38 SER OG : rot 64:sc= 0.234 USER MOD Single : A 41 GLN : amide:sc= -0.029 X(o=-0.029,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0358 K(o=-0.036,f=-3.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 77:sc= 0.331 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.322 K(o=-0.32,f=-2.3!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -94:sc= 1.19 USER MOD Single : A 110 THR OG1 : rot 101:sc= 1.27 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -178:sc= 0 (180deg=-0.00834) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 137 ASN : amide:sc= 0.427 K(o=0.43,f=-5.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc=-0.00885 X(o=-0.0089,f=-0.37) USER MOD Single : A 145 MET CE :methyl -129:sc= -1.01 (180deg=-1.8) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.438 16.231 1.204 1.00 0.00 N ATOM 59 CA THR A 5 -13.044 17.330 0.518 1.00 0.00 C ATOM 60 C THR A 5 -14.351 16.932 -0.076 1.00 0.00 C ATOM 61 O THR A 5 -14.597 15.736 -0.221 1.00 0.00 O ATOM 62 CB THR A 5 -12.147 17.884 -0.549 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.726 16.851 -1.428 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.823 18.423 0.019 1.00 0.00 C ATOM 0 HA THR A 5 -13.214 18.112 1.258 1.00 0.00 H new ATOM 0 HB THR A 5 -12.733 18.666 -1.033 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.604 16.021 -0.922 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.210 18.812 -0.794 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.031 19.221 0.731 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.288 17.618 0.523 1.00 0.00 H new ATOM 72 N GLU A 6 -15.308 17.769 -0.515 1.00 0.00 N ATOM 73 CA GLU A 6 -16.532 17.387 -1.148 1.00 0.00 C ATOM 74 C GLU A 6 -16.339 16.710 -2.462 1.00 0.00 C ATOM 75 O GLU A 6 -17.179 15.871 -2.781 1.00 0.00 O ATOM 76 CB GLU A 6 -17.409 18.620 -1.422 1.00 0.00 C ATOM 77 CG GLU A 6 -17.980 19.318 -0.186 1.00 0.00 C ATOM 78 CD GLU A 6 -19.139 18.583 0.473 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.167 18.297 -0.197 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.134 18.344 1.710 1.00 0.00 O ATOM 0 H GLU A 6 -15.220 18.781 -0.421 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.001 16.692 -0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.820 19.344 -1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.239 18.318 -2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.182 19.444 0.546 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.313 20.317 -0.469 1.00 0.00 H new ATOM 87 N GLU A 7 -15.225 16.954 -3.174 1.00 0.00 N ATOM 88 CA GLU A 7 -14.808 16.256 -4.351 1.00 0.00 C ATOM 89 C GLU A 7 -14.548 14.811 -4.102 1.00 0.00 C ATOM 90 O GLU A 7 -14.965 13.993 -4.920 1.00 0.00 O ATOM 91 CB GLU A 7 -13.588 16.842 -5.081 1.00 0.00 C ATOM 92 CG GLU A 7 -13.834 18.234 -5.668 1.00 0.00 C ATOM 93 CD GLU A 7 -12.609 18.667 -6.461 1.00 0.00 C ATOM 94 OE1 GLU A 7 -11.668 19.260 -5.868 1.00 0.00 O ATOM 95 OE2 GLU A 7 -12.524 18.350 -7.677 1.00 0.00 O ATOM 0 H GLU A 7 -14.571 17.690 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.669 16.385 -5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.750 16.893 -4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.296 16.165 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.713 18.220 -6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.036 18.948 -4.869 1.00 0.00 H new ATOM 102 N GLN A 8 -13.869 14.460 -2.995 1.00 0.00 N ATOM 103 CA GLN A 8 -13.612 13.157 -2.465 1.00 0.00 C ATOM 104 C GLN A 8 -14.790 12.418 -1.930 1.00 0.00 C ATOM 105 O GLN A 8 -14.992 11.228 -2.168 1.00 0.00 O ATOM 106 CB GLN A 8 -12.531 13.204 -1.372 1.00 0.00 C ATOM 107 CG GLN A 8 -11.190 13.596 -1.997 1.00 0.00 C ATOM 108 CD GLN A 8 -10.088 13.500 -0.952 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.192 14.153 0.085 1.00 0.00 O ATOM 110 NE2 GLN A 8 -8.945 12.813 -1.222 1.00 0.00 N ATOM 0 H GLN A 8 -13.452 15.179 -2.404 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.277 12.599 -3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.809 13.923 -0.601 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.448 12.232 -0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.965 12.940 -2.838 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.244 14.611 -2.390 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.866 12.274 -2.084 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.167 12.837 -0.562 1.00 0.00 H new ATOM 119 N ILE A 9 -15.680 13.148 -1.235 1.00 0.00 N ATOM 120 CA ILE A 9 -16.942 12.640 -0.794 1.00 0.00 C ATOM 121 C ILE A 9 -17.793 12.115 -1.898 1.00 0.00 C ATOM 122 O ILE A 9 -18.254 10.981 -1.780 1.00 0.00 O ATOM 123 CB ILE A 9 -17.645 13.606 0.113 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.888 13.914 1.415 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.981 12.989 0.561 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.243 15.322 1.891 1.00 0.00 C ATOM 0 H ILE A 9 -15.517 14.120 -0.972 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.728 11.760 -0.188 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.746 14.524 -0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -17.148 13.183 2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.813 13.834 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.500 13.684 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.600 12.788 -0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.791 12.057 1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.706 15.540 2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.960 16.046 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.316 15.385 2.072 1.00 0.00 H new ATOM 138 N ALA A 10 -18.092 12.950 -2.909 1.00 0.00 N ATOM 139 CA ALA A 10 -18.765 12.709 -4.148 1.00 0.00 C ATOM 140 C ALA A 10 -18.143 11.648 -4.989 1.00 0.00 C ATOM 141 O ALA A 10 -18.897 10.794 -5.452 1.00 0.00 O ATOM 142 CB ALA A 10 -18.916 13.960 -5.030 1.00 0.00 C ATOM 0 H ALA A 10 -17.821 13.931 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.746 12.374 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.436 13.695 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.490 14.716 -4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.930 14.356 -5.271 1.00 0.00 H new ATOM 148 N GLU A 11 -16.809 11.617 -5.164 1.00 0.00 N ATOM 149 CA GLU A 11 -16.220 10.479 -5.798 1.00 0.00 C ATOM 150 C GLU A 11 -16.489 9.176 -5.128 1.00 0.00 C ATOM 151 O GLU A 11 -16.935 8.243 -5.795 1.00 0.00 O ATOM 152 CB GLU A 11 -14.710 10.769 -5.787 1.00 0.00 C ATOM 153 CG GLU A 11 -13.875 9.712 -6.513 1.00 0.00 C ATOM 154 CD GLU A 11 -12.599 10.298 -7.101 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.693 11.166 -8.009 1.00 0.00 O ATOM 156 OE2 GLU A 11 -11.521 9.768 -6.720 1.00 0.00 O ATOM 0 H GLU A 11 -16.159 12.350 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.650 10.358 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.532 11.740 -6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.370 10.841 -4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.620 8.912 -5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.469 9.265 -7.310 1.00 0.00 H new ATOM 163 N PHE A 12 -16.332 9.107 -3.794 1.00 0.00 N ATOM 164 CA PHE A 12 -16.608 7.904 -3.072 1.00 0.00 C ATOM 165 C PHE A 12 -18.068 7.614 -2.997 1.00 0.00 C ATOM 166 O PHE A 12 -18.487 6.458 -2.966 1.00 0.00 O ATOM 167 CB PHE A 12 -16.121 7.989 -1.616 1.00 0.00 C ATOM 168 CG PHE A 12 -14.635 8.078 -1.668 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.864 7.315 -2.513 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.064 9.049 -0.880 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.502 7.499 -2.532 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.697 9.199 -0.885 1.00 0.00 C ATOM 173 CZ PHE A 12 -11.913 8.444 -1.726 1.00 0.00 C ATOM 0 H PHE A 12 -16.014 9.884 -3.215 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.084 7.121 -3.621 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.544 8.861 -1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.437 7.113 -1.050 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.324 6.579 -3.155 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.681 9.686 -0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.889 6.896 -3.186 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.235 9.916 -0.223 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.844 8.592 -1.753 1.00 0.00 H new ATOM 183 N LYS A 13 -18.873 8.681 -3.149 1.00 0.00 N ATOM 184 CA LYS A 13 -20.259 8.432 -3.397 1.00 0.00 C ATOM 185 C LYS A 13 -20.646 7.826 -4.703 1.00 0.00 C ATOM 186 O LYS A 13 -21.384 6.843 -4.711 1.00 0.00 O ATOM 187 CB LYS A 13 -21.035 9.752 -3.258 1.00 0.00 C ATOM 188 CG LYS A 13 -22.547 9.651 -3.046 1.00 0.00 C ATOM 189 CD LYS A 13 -23.237 10.999 -3.265 1.00 0.00 C ATOM 190 CE LYS A 13 -24.763 10.961 -3.363 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.408 10.907 -2.032 1.00 0.00 N ATOM 0 H LYS A 13 -18.589 9.660 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.507 7.673 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.612 10.307 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.858 10.345 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.963 8.913 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.751 9.297 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.961 11.663 -2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.844 11.442 -4.181 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -25.113 11.843 -3.899 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -25.066 10.092 -3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.441 10.883 -2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.096 10.052 -1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.141 11.749 -1.482 1.00 0.00 H new ATOM 205 N GLU A 14 -20.049 8.253 -5.830 1.00 0.00 N ATOM 206 CA GLU A 14 -20.225 7.702 -7.138 1.00 0.00 C ATOM 207 C GLU A 14 -19.748 6.291 -7.153 1.00 0.00 C ATOM 208 O GLU A 14 -20.454 5.425 -7.669 1.00 0.00 O ATOM 209 CB GLU A 14 -19.361 8.596 -8.043 1.00 0.00 C ATOM 210 CG GLU A 14 -19.206 8.257 -9.527 1.00 0.00 C ATOM 211 CD GLU A 14 -20.472 8.565 -10.314 1.00 0.00 C ATOM 212 OE1 GLU A 14 -20.863 9.757 -10.424 1.00 0.00 O ATOM 213 OE2 GLU A 14 -21.155 7.605 -10.762 1.00 0.00 O ATOM 0 H GLU A 14 -19.398 9.038 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.265 7.682 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.765 9.607 -7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.361 8.625 -7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.373 8.823 -9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.960 7.201 -9.634 1.00 0.00 H new ATOM 220 N ALA A 15 -18.558 6.050 -6.574 1.00 0.00 N ATOM 221 CA ALA A 15 -17.938 4.765 -6.471 1.00 0.00 C ATOM 222 C ALA A 15 -18.780 3.747 -5.782 1.00 0.00 C ATOM 223 O ALA A 15 -19.050 2.650 -6.269 1.00 0.00 O ATOM 224 CB ALA A 15 -16.550 4.881 -5.820 1.00 0.00 C ATOM 0 H ALA A 15 -17.998 6.793 -6.155 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.818 4.401 -7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.096 3.892 -5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.917 5.529 -6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.651 5.304 -4.820 1.00 0.00 H new ATOM 230 N PHE A 16 -19.425 4.192 -4.689 1.00 0.00 N ATOM 231 CA PHE A 16 -20.192 3.356 -3.819 1.00 0.00 C ATOM 232 C PHE A 16 -21.397 2.884 -4.556 1.00 0.00 C ATOM 233 O PHE A 16 -21.713 1.696 -4.616 1.00 0.00 O ATOM 234 CB PHE A 16 -20.544 4.040 -2.487 1.00 0.00 C ATOM 235 CG PHE A 16 -21.112 3.112 -1.469 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.415 2.679 -1.536 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.366 2.685 -0.396 1.00 0.00 C ATOM 238 CE1 PHE A 16 -22.912 1.897 -0.520 1.00 0.00 C ATOM 239 CE2 PHE A 16 -20.860 1.906 0.624 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.189 1.556 0.599 1.00 0.00 C ATOM 0 H PHE A 16 -19.412 5.170 -4.401 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.587 2.496 -3.532 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -19.647 4.506 -2.080 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.260 4.839 -2.677 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.039 2.949 -2.375 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -19.328 2.980 -0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -23.924 1.531 -0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.218 1.576 1.427 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.647 1.034 1.426 1.00 0.00 H new ATOM 250 N SER A 17 -22.007 3.872 -5.235 1.00 0.00 N ATOM 251 CA SER A 17 -23.164 3.677 -6.053 1.00 0.00 C ATOM 252 C SER A 17 -22.859 2.967 -7.326 1.00 0.00 C ATOM 253 O SER A 17 -23.819 2.538 -7.964 1.00 0.00 O ATOM 254 CB SER A 17 -23.904 4.951 -6.495 1.00 0.00 C ATOM 255 OG SER A 17 -24.420 5.634 -5.362 1.00 0.00 O ATOM 0 H SER A 17 -21.684 4.839 -5.214 1.00 0.00 H new ATOM 0 HA SER A 17 -23.795 3.099 -5.378 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.225 5.603 -7.044 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.716 4.692 -7.174 1.00 0.00 H new ATOM 0 HG SER A 17 -24.888 6.444 -5.654 1.00 0.00 H new ATOM 261 N LEU A 18 -21.584 2.918 -7.753 1.00 0.00 N ATOM 262 CA LEU A 18 -21.187 1.890 -8.664 1.00 0.00 C ATOM 263 C LEU A 18 -21.250 0.463 -8.239 1.00 0.00 C ATOM 264 O LEU A 18 -21.592 -0.397 -9.050 1.00 0.00 O ATOM 265 CB LEU A 18 -19.811 2.215 -9.269 1.00 0.00 C ATOM 266 CG LEU A 18 -19.456 1.699 -10.674 1.00 0.00 C ATOM 267 CD1 LEU A 18 -20.155 2.526 -11.766 1.00 0.00 C ATOM 268 CD2 LEU A 18 -17.958 1.744 -11.020 1.00 0.00 C ATOM 0 H LEU A 18 -20.848 3.569 -7.478 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.989 1.928 -9.402 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.710 3.300 -9.285 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.055 1.835 -8.582 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.788 0.661 -10.649 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.884 2.136 -12.747 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -21.235 2.461 -11.636 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -19.842 3.567 -11.690 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.806 1.361 -12.029 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.603 2.773 -10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -17.402 1.130 -10.311 1.00 0.00 H new ATOM 280 N PHE A 19 -20.842 0.218 -6.981 1.00 0.00 N ATOM 281 CA PHE A 19 -20.656 -1.087 -6.427 1.00 0.00 C ATOM 282 C PHE A 19 -21.965 -1.607 -5.944 1.00 0.00 C ATOM 283 O PHE A 19 -22.363 -2.743 -6.198 1.00 0.00 O ATOM 284 CB PHE A 19 -19.827 -1.031 -5.132 1.00 0.00 C ATOM 285 CG PHE A 19 -18.468 -0.527 -5.478 1.00 0.00 C ATOM 286 CD1 PHE A 19 -17.821 -0.711 -6.677 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.950 0.331 -4.537 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.612 -0.111 -6.938 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.727 0.926 -4.740 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.121 0.719 -5.957 1.00 0.00 C ATOM 0 H PHE A 19 -20.632 0.965 -6.319 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.185 -1.687 -7.206 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.303 -0.375 -4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.763 -2.020 -4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.272 -1.340 -7.430 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.506 0.539 -3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.078 -0.282 -7.861 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.262 1.531 -3.976 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.198 1.243 -6.156 1.00 0.00 H new ATOM 300 N ASP A 20 -22.785 -0.698 -5.386 1.00 0.00 N ATOM 301 CA ASP A 20 -24.131 -0.840 -4.926 1.00 0.00 C ATOM 302 C ASP A 20 -25.097 -1.142 -6.020 1.00 0.00 C ATOM 303 O ASP A 20 -25.409 -0.298 -6.858 1.00 0.00 O ATOM 304 CB ASP A 20 -24.572 0.208 -3.890 1.00 0.00 C ATOM 305 CG ASP A 20 -25.789 -0.158 -3.052 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.316 -1.302 -3.067 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.255 0.804 -2.386 1.00 0.00 O ATOM 0 H ASP A 20 -22.457 0.257 -5.241 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.142 -1.749 -4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -23.736 0.400 -3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -24.782 1.141 -4.412 1.00 0.00 H new ATOM 312 N LYS A 21 -25.668 -2.359 -6.051 1.00 0.00 N ATOM 313 CA LYS A 21 -26.262 -2.946 -7.212 1.00 0.00 C ATOM 314 C LYS A 21 -27.745 -2.799 -7.217 1.00 0.00 C ATOM 315 O LYS A 21 -28.364 -2.366 -8.187 1.00 0.00 O ATOM 316 CB LYS A 21 -25.893 -4.435 -7.320 1.00 0.00 C ATOM 317 CG LYS A 21 -26.286 -5.081 -8.650 1.00 0.00 C ATOM 318 CD LYS A 21 -25.344 -4.581 -9.747 1.00 0.00 C ATOM 319 CE LYS A 21 -25.178 -5.495 -10.963 1.00 0.00 C ATOM 320 NZ LYS A 21 -26.486 -5.495 -11.654 1.00 0.00 N ATOM 0 H LYS A 21 -25.718 -2.961 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.865 -2.410 -8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.817 -4.543 -7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.376 -4.978 -6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.229 -6.167 -8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -27.318 -4.833 -8.898 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.705 -3.612 -10.093 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -24.361 -4.416 -9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -24.389 -5.130 -11.621 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -24.898 -6.503 -10.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -26.415 -6.049 -12.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -27.206 -5.918 -11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -26.758 -4.518 -11.883 1.00 0.00 H new ATOM 334 N ASP A 22 -28.433 -3.191 -6.130 1.00 0.00 N ATOM 335 CA ASP A 22 -29.810 -3.025 -5.781 1.00 0.00 C ATOM 336 C ASP A 22 -30.036 -1.599 -5.412 1.00 0.00 C ATOM 337 O ASP A 22 -31.129 -1.036 -5.461 1.00 0.00 O ATOM 338 CB ASP A 22 -30.347 -4.012 -4.731 1.00 0.00 C ATOM 339 CG ASP A 22 -29.501 -4.416 -3.532 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.389 -3.861 -3.324 1.00 0.00 O ATOM 341 OD2 ASP A 22 -30.116 -5.046 -2.631 1.00 0.00 O ATOM 0 H ASP A 22 -27.946 -3.698 -5.391 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.402 -3.280 -6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.274 -3.591 -4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.611 -4.928 -5.259 1.00 0.00 H new ATOM 346 N GLY A 23 -28.981 -0.978 -4.855 1.00 0.00 N ATOM 347 CA GLY A 23 -28.894 0.398 -4.476 1.00 0.00 C ATOM 348 C GLY A 23 -29.635 0.770 -3.238 1.00 0.00 C ATOM 349 O GLY A 23 -30.288 1.804 -3.106 1.00 0.00 O ATOM 0 H GLY A 23 -28.118 -1.482 -4.654 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -27.843 0.654 -4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.267 1.008 -5.299 1.00 0.00 H new ATOM 353 N ASP A 24 -29.438 -0.024 -2.170 1.00 0.00 N ATOM 354 CA ASP A 24 -30.005 0.165 -0.871 1.00 0.00 C ATOM 355 C ASP A 24 -29.255 1.078 0.037 1.00 0.00 C ATOM 356 O ASP A 24 -29.801 1.580 1.018 1.00 0.00 O ATOM 357 CB ASP A 24 -30.301 -1.172 -0.172 1.00 0.00 C ATOM 358 CG ASP A 24 -29.060 -2.037 -0.003 1.00 0.00 C ATOM 359 OD1 ASP A 24 -27.963 -1.825 -0.586 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.260 -3.070 0.689 1.00 0.00 O ATOM 0 H ASP A 24 -28.844 -0.852 -2.218 1.00 0.00 H new ATOM 0 HA ASP A 24 -30.943 0.681 -1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.738 -0.976 0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.045 -1.721 -0.749 1.00 0.00 H new ATOM 365 N GLY A 25 -27.988 1.432 -0.244 1.00 0.00 N ATOM 366 CA GLY A 25 -27.090 2.142 0.612 1.00 0.00 C ATOM 367 C GLY A 25 -26.072 1.275 1.269 1.00 0.00 C ATOM 368 O GLY A 25 -25.369 1.799 2.132 1.00 0.00 O ATOM 0 H GLY A 25 -27.560 1.203 -1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.579 2.909 0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.666 2.656 1.381 1.00 0.00 H new ATOM 372 N THR A 26 -25.915 -0.020 0.942 1.00 0.00 N ATOM 373 CA THR A 26 -24.989 -0.925 1.548 1.00 0.00 C ATOM 374 C THR A 26 -24.262 -1.731 0.526 1.00 0.00 C ATOM 375 O THR A 26 -24.829 -2.011 -0.529 1.00 0.00 O ATOM 376 CB THR A 26 -25.538 -1.998 2.441 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.518 -2.862 1.882 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.145 -1.285 3.661 1.00 0.00 C ATOM 0 H THR A 26 -26.470 -0.462 0.209 1.00 0.00 H new ATOM 0 HA THR A 26 -24.394 -0.221 2.129 1.00 0.00 H new ATOM 0 HB THR A 26 -24.703 -2.661 2.668 1.00 0.00 H new ATOM 0 HG1 THR A 26 -26.798 -3.518 2.555 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.560 -2.025 4.345 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.370 -0.713 4.171 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.936 -0.611 3.332 1.00 0.00 H new ATOM 386 N ILE A 27 -22.982 -2.029 0.810 1.00 0.00 N ATOM 387 CA ILE A 27 -22.306 -3.109 0.161 1.00 0.00 C ATOM 388 C ILE A 27 -22.249 -4.351 0.981 1.00 0.00 C ATOM 389 O ILE A 27 -22.029 -4.428 2.188 1.00 0.00 O ATOM 390 CB ILE A 27 -21.030 -2.781 -0.558 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.003 -1.838 0.092 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.279 -2.347 -2.012 1.00 0.00 C ATOM 393 CD1 ILE A 27 -18.635 -1.961 -0.578 1.00 0.00 C ATOM 0 H ILE A 27 -22.415 -1.522 1.489 1.00 0.00 H new ATOM 0 HA ILE A 27 -22.968 -3.332 -0.676 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.536 -3.751 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -20.354 -0.809 0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -19.913 -2.071 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.327 -2.120 -2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.775 -3.153 -2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.912 -1.460 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -17.931 -1.282 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.274 -2.985 -0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -18.722 -1.704 -1.634 1.00 0.00 H new ATOM 405 N THR A 28 -22.380 -5.526 0.339 1.00 0.00 N ATOM 406 CA THR A 28 -22.452 -6.808 0.969 1.00 0.00 C ATOM 407 C THR A 28 -21.269 -7.597 0.524 1.00 0.00 C ATOM 408 O THR A 28 -20.479 -7.111 -0.284 1.00 0.00 O ATOM 409 CB THR A 28 -23.659 -7.536 0.456 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.643 -7.708 -0.953 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.967 -6.821 0.836 1.00 0.00 C ATOM 0 H THR A 28 -22.439 -5.584 -0.678 1.00 0.00 H new ATOM 0 HA THR A 28 -22.492 -6.689 2.052 1.00 0.00 H new ATOM 0 HB THR A 28 -23.618 -8.515 0.933 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.450 -8.188 -1.233 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.815 -7.382 0.445 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.044 -6.756 1.921 1.00 0.00 H new ATOM 0 HG23 THR A 28 -24.969 -5.817 0.412 1.00 0.00 H new ATOM 419 N THR A 29 -21.260 -8.859 0.989 1.00 0.00 N ATOM 420 CA THR A 29 -20.231 -9.767 0.588 1.00 0.00 C ATOM 421 C THR A 29 -20.264 -10.073 -0.870 1.00 0.00 C ATOM 422 O THR A 29 -19.255 -10.173 -1.566 1.00 0.00 O ATOM 423 CB THR A 29 -20.146 -11.099 1.272 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.441 -11.675 1.358 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.748 -10.807 2.728 1.00 0.00 C ATOM 0 H THR A 29 -21.952 -9.246 1.631 1.00 0.00 H new ATOM 0 HA THR A 29 -19.362 -9.185 0.895 1.00 0.00 H new ATOM 0 HB THR A 29 -19.457 -11.752 0.736 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.383 -12.546 1.804 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.670 -11.744 3.279 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.786 -10.294 2.746 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.505 -10.175 3.192 1.00 0.00 H new ATOM 433 N LYS A 30 -21.466 -10.221 -1.456 1.00 0.00 N ATOM 434 CA LYS A 30 -21.725 -10.568 -2.819 1.00 0.00 C ATOM 435 C LYS A 30 -21.361 -9.451 -3.735 1.00 0.00 C ATOM 436 O LYS A 30 -20.673 -9.645 -4.736 1.00 0.00 O ATOM 437 CB LYS A 30 -23.166 -11.022 -3.110 1.00 0.00 C ATOM 438 CG LYS A 30 -23.609 -12.123 -2.145 1.00 0.00 C ATOM 439 CD LYS A 30 -24.839 -12.922 -2.582 1.00 0.00 C ATOM 440 CE LYS A 30 -25.585 -13.824 -1.597 1.00 0.00 C ATOM 441 NZ LYS A 30 -24.750 -15.018 -1.336 1.00 0.00 N ATOM 0 H LYS A 30 -22.329 -10.086 -0.929 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.090 -11.434 -3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.841 -10.170 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.235 -11.385 -4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.779 -12.815 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.816 -11.671 -1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.563 -12.206 -2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.531 -13.549 -3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.784 -13.289 -0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.551 -14.118 -2.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -25.241 -15.645 -0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -24.582 -15.526 -2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -23.839 -14.723 -0.929 1.00 0.00 H new ATOM 455 N GLU A 31 -21.742 -8.200 -3.421 1.00 0.00 N ATOM 456 CA GLU A 31 -21.422 -7.036 -4.188 1.00 0.00 C ATOM 457 C GLU A 31 -19.968 -6.715 -4.137 1.00 0.00 C ATOM 458 O GLU A 31 -19.340 -6.398 -5.146 1.00 0.00 O ATOM 459 CB GLU A 31 -22.264 -5.810 -3.797 1.00 0.00 C ATOM 460 CG GLU A 31 -23.782 -5.998 -3.822 1.00 0.00 C ATOM 461 CD GLU A 31 -24.650 -4.979 -3.097 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.691 -4.907 -1.840 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.379 -4.229 -3.799 1.00 0.00 O ATOM 0 H GLU A 31 -22.300 -7.990 -2.593 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.678 -7.284 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.973 -5.501 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.009 -4.991 -4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.097 -6.020 -4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.002 -6.980 -3.402 1.00 0.00 H new ATOM 470 N LEU A 32 -19.348 -6.795 -2.946 1.00 0.00 N ATOM 471 CA LEU A 32 -17.953 -6.564 -2.732 1.00 0.00 C ATOM 472 C LEU A 32 -17.169 -7.641 -3.400 1.00 0.00 C ATOM 473 O LEU A 32 -16.083 -7.429 -3.938 1.00 0.00 O ATOM 474 CB LEU A 32 -17.525 -6.298 -1.279 1.00 0.00 C ATOM 475 CG LEU A 32 -16.029 -6.079 -0.995 1.00 0.00 C ATOM 476 CD1 LEU A 32 -15.407 -4.792 -1.564 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.884 -6.080 0.536 1.00 0.00 C ATOM 0 H LEU A 32 -19.846 -7.033 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.723 -5.606 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.064 -5.418 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.860 -7.140 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.485 -6.876 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.351 -4.750 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.509 -4.788 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.920 -3.925 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.838 -5.928 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.487 -5.276 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.224 -7.036 0.933 1.00 0.00 H new ATOM 489 N GLY A 33 -17.675 -8.883 -3.495 1.00 0.00 N ATOM 490 CA GLY A 33 -17.225 -10.035 -4.215 1.00 0.00 C ATOM 491 C GLY A 33 -17.081 -9.760 -5.672 1.00 0.00 C ATOM 492 O GLY A 33 -16.134 -10.270 -6.268 1.00 0.00 O ATOM 0 H GLY A 33 -18.531 -9.107 -2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.267 -10.364 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.930 -10.853 -4.068 1.00 0.00 H new ATOM 496 N THR A 34 -18.086 -9.021 -6.175 1.00 0.00 N ATOM 497 CA THR A 34 -18.125 -8.586 -7.536 1.00 0.00 C ATOM 498 C THR A 34 -17.072 -7.601 -7.911 1.00 0.00 C ATOM 499 O THR A 34 -16.419 -7.663 -8.952 1.00 0.00 O ATOM 500 CB THR A 34 -19.460 -8.081 -8.000 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.482 -9.044 -7.786 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.581 -7.723 -9.491 1.00 0.00 C ATOM 0 H THR A 34 -18.889 -8.719 -5.623 1.00 0.00 H new ATOM 0 HA THR A 34 -17.916 -9.518 -8.062 1.00 0.00 H new ATOM 0 HB THR A 34 -19.566 -7.172 -7.408 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.550 -9.242 -6.829 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.591 -7.371 -9.700 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.866 -6.938 -9.736 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.372 -8.606 -10.095 1.00 0.00 H new ATOM 510 N VAL A 35 -16.758 -6.656 -7.007 1.00 0.00 N ATOM 511 CA VAL A 35 -15.671 -5.730 -7.082 1.00 0.00 C ATOM 512 C VAL A 35 -14.345 -6.350 -7.361 1.00 0.00 C ATOM 513 O VAL A 35 -13.655 -6.071 -8.341 1.00 0.00 O ATOM 514 CB VAL A 35 -15.443 -4.873 -5.872 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.310 -3.860 -6.109 1.00 0.00 C ATOM 516 CG2 VAL A 35 -16.685 -4.037 -5.519 1.00 0.00 C ATOM 0 H VAL A 35 -17.308 -6.531 -6.157 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.020 -5.120 -7.915 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.198 -5.567 -5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.170 -3.255 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.386 -4.393 -6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.570 -3.213 -6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.477 -3.431 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.935 -3.385 -6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.524 -4.701 -5.313 1.00 0.00 H new ATOM 526 N MET A 36 -13.941 -7.321 -6.524 1.00 0.00 N ATOM 527 CA MET A 36 -12.792 -8.151 -6.716 1.00 0.00 C ATOM 528 C MET A 36 -12.831 -8.969 -7.960 1.00 0.00 C ATOM 529 O MET A 36 -11.868 -9.114 -8.711 1.00 0.00 O ATOM 530 CB MET A 36 -12.536 -9.024 -5.476 1.00 0.00 C ATOM 531 CG MET A 36 -12.449 -8.292 -4.135 1.00 0.00 C ATOM 532 SD MET A 36 -11.753 -9.367 -2.845 1.00 0.00 S ATOM 533 CE MET A 36 -12.121 -8.223 -1.483 1.00 0.00 C ATOM 0 H MET A 36 -14.445 -7.539 -5.664 1.00 0.00 H new ATOM 0 HA MET A 36 -11.951 -7.470 -6.849 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.332 -9.765 -5.410 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.605 -9.570 -5.629 1.00 0.00 H new ATOM 0 HG2 MET A 36 -11.830 -7.401 -4.243 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.442 -7.956 -3.836 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.931 -8.718 -0.531 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.485 -7.341 -1.566 1.00 0.00 H new ATOM 0 HE3 MET A 36 -13.167 -7.922 -1.533 1.00 0.00 H new ATOM 543 N ARG A 37 -14.001 -9.533 -8.309 1.00 0.00 N ATOM 544 CA ARG A 37 -14.121 -10.388 -9.449 1.00 0.00 C ATOM 545 C ARG A 37 -13.990 -9.621 -10.719 1.00 0.00 C ATOM 546 O ARG A 37 -13.436 -10.079 -11.718 1.00 0.00 O ATOM 547 CB ARG A 37 -15.434 -11.179 -9.324 1.00 0.00 C ATOM 548 CG ARG A 37 -15.575 -12.296 -10.360 1.00 0.00 C ATOM 549 CD ARG A 37 -14.602 -13.433 -10.041 1.00 0.00 C ATOM 550 NE ARG A 37 -14.860 -14.510 -11.037 1.00 0.00 N ATOM 551 CZ ARG A 37 -14.260 -15.728 -10.899 1.00 0.00 C ATOM 552 NH1 ARG A 37 -13.881 -16.280 -9.710 1.00 0.00 N ATOM 553 NH2 ARG A 37 -13.993 -16.531 -11.970 1.00 0.00 N ATOM 0 H ARG A 37 -14.872 -9.395 -7.796 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.302 -11.107 -9.480 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.495 -11.611 -8.325 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -16.274 -10.492 -9.426 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.598 -12.672 -10.364 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.375 -11.905 -11.358 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.570 -13.088 -10.103 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.755 -13.800 -9.026 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.486 -14.337 -11.823 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.042 -15.775 -8.839 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.437 -17.198 -9.692 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.243 -16.226 -12.911 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.543 -17.436 -11.830 1.00 0.00 H new ATOM 567 N SER A 38 -14.434 -8.353 -10.794 1.00 0.00 N ATOM 568 CA SER A 38 -14.374 -7.489 -11.932 1.00 0.00 C ATOM 569 C SER A 38 -12.990 -7.054 -12.271 1.00 0.00 C ATOM 570 O SER A 38 -12.692 -6.681 -13.404 1.00 0.00 O ATOM 571 CB SER A 38 -15.252 -6.226 -11.945 1.00 0.00 C ATOM 572 OG SER A 38 -16.634 -6.518 -11.800 1.00 0.00 O ATOM 0 H SER A 38 -14.870 -7.897 -9.993 1.00 0.00 H new ATOM 0 HA SER A 38 -14.794 -8.165 -12.676 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.939 -5.562 -11.139 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.095 -5.689 -12.880 1.00 0.00 H new ATOM 0 HG SER A 38 -16.792 -6.927 -10.924 1.00 0.00 H new ATOM 578 N LEU A 39 -12.112 -7.064 -11.252 1.00 0.00 N ATOM 579 CA LEU A 39 -10.701 -6.991 -11.468 1.00 0.00 C ATOM 580 C LEU A 39 -9.997 -8.261 -11.803 1.00 0.00 C ATOM 581 O LEU A 39 -8.832 -8.185 -12.187 1.00 0.00 O ATOM 582 CB LEU A 39 -10.120 -6.400 -10.172 1.00 0.00 C ATOM 583 CG LEU A 39 -10.231 -4.868 -10.090 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.616 -4.517 -8.643 1.00 0.00 C ATOM 585 CD2 LEU A 39 -9.004 -4.123 -10.643 1.00 0.00 C ATOM 0 H LEU A 39 -12.383 -7.123 -10.270 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.542 -6.388 -12.362 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.636 -6.840 -9.319 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.071 -6.685 -10.091 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.014 -4.510 -10.758 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.705 -3.435 -8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.570 -4.984 -8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.847 -4.882 -7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.159 -3.048 -10.550 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.118 -4.412 -10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.865 -4.380 -11.693 1.00 0.00 H new ATOM 597 N GLY A 40 -10.626 -9.439 -11.640 1.00 0.00 N ATOM 598 CA GLY A 40 -10.238 -10.774 -11.975 1.00 0.00 C ATOM 599 C GLY A 40 -9.516 -11.432 -10.849 1.00 0.00 C ATOM 600 O GLY A 40 -8.701 -12.318 -11.098 1.00 0.00 O ATOM 0 H GLY A 40 -11.549 -9.448 -11.205 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.122 -11.357 -12.232 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.599 -10.758 -12.858 1.00 0.00 H new ATOM 604 N GLN A 41 -10.024 -11.198 -9.626 1.00 0.00 N ATOM 605 CA GLN A 41 -9.621 -11.828 -8.407 1.00 0.00 C ATOM 606 C GLN A 41 -10.513 -12.965 -8.045 1.00 0.00 C ATOM 607 O GLN A 41 -11.645 -13.073 -8.512 1.00 0.00 O ATOM 608 CB GLN A 41 -9.669 -10.870 -7.205 1.00 0.00 C ATOM 609 CG GLN A 41 -8.635 -9.747 -7.307 1.00 0.00 C ATOM 610 CD GLN A 41 -8.651 -8.826 -6.096 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.759 -7.610 -6.246 1.00 0.00 O ATOM 612 NE2 GLN A 41 -8.558 -9.383 -4.858 1.00 0.00 N ATOM 0 H GLN A 41 -10.771 -10.519 -9.480 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.602 -12.164 -8.600 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.666 -10.436 -7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.498 -11.434 -6.288 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.641 -10.182 -7.415 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.827 -9.162 -8.206 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.469 -10.394 -4.759 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.577 -8.789 -4.029 1.00 0.00 H new ATOM 621 N ASN A 42 -10.085 -13.913 -7.193 1.00 0.00 N ATOM 622 CA ASN A 42 -10.914 -15.017 -6.821 1.00 0.00 C ATOM 623 C ASN A 42 -11.252 -14.948 -5.371 1.00 0.00 C ATOM 624 O ASN A 42 -10.595 -15.569 -4.537 1.00 0.00 O ATOM 625 CB ASN A 42 -9.964 -16.194 -7.101 1.00 0.00 C ATOM 626 CG ASN A 42 -10.708 -17.521 -7.169 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.908 -17.440 -6.913 1.00 0.00 O ATOM 628 ND2 ASN A 42 -10.117 -18.695 -7.518 1.00 0.00 N ATOM 0 H ASN A 42 -9.161 -13.915 -6.760 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.869 -15.069 -7.343 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.441 -16.022 -8.042 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.206 -16.243 -6.319 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.673 -19.549 -7.575 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.118 -18.722 -7.723 1.00 0.00 H new ATOM 635 N PRO A 43 -12.129 -14.108 -4.906 1.00 0.00 N ATOM 636 CA PRO A 43 -12.500 -14.066 -3.522 1.00 0.00 C ATOM 637 C PRO A 43 -13.231 -15.256 -3.004 1.00 0.00 C ATOM 638 O PRO A 43 -13.642 -16.111 -3.787 1.00 0.00 O ATOM 639 CB PRO A 43 -13.354 -12.801 -3.471 1.00 0.00 C ATOM 640 CG PRO A 43 -14.170 -12.879 -4.771 1.00 0.00 C ATOM 641 CD PRO A 43 -13.120 -13.445 -5.740 1.00 0.00 C ATOM 0 HA PRO A 43 -11.623 -14.066 -2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.998 -12.784 -2.591 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.740 -11.901 -3.434 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -15.038 -13.532 -4.675 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -14.539 -11.903 -5.086 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.573 -14.146 -6.442 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.665 -12.651 -6.332 1.00 0.00 H new ATOM 649 N THR A 44 -13.388 -15.302 -1.669 1.00 0.00 N ATOM 650 CA THR A 44 -14.261 -16.211 -0.993 1.00 0.00 C ATOM 651 C THR A 44 -15.096 -15.587 0.072 1.00 0.00 C ATOM 652 O THR A 44 -14.772 -14.448 0.405 1.00 0.00 O ATOM 653 CB THR A 44 -13.495 -17.376 -0.440 1.00 0.00 C ATOM 654 OG1 THR A 44 -12.398 -16.984 0.372 1.00 0.00 O ATOM 655 CG2 THR A 44 -12.999 -18.334 -1.537 1.00 0.00 C ATOM 0 H THR A 44 -12.886 -14.681 -1.035 1.00 0.00 H new ATOM 0 HA THR A 44 -14.960 -16.557 -1.754 1.00 0.00 H new ATOM 0 HB THR A 44 -14.213 -17.905 0.187 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.937 -17.782 0.706 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.451 -19.158 -1.080 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.852 -18.727 -2.090 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.341 -17.796 -2.220 1.00 0.00 H new ATOM 663 N GLU A 45 -16.194 -16.221 0.521 1.00 0.00 N ATOM 664 CA GLU A 45 -17.286 -15.536 1.140 1.00 0.00 C ATOM 665 C GLU A 45 -17.031 -15.028 2.517 1.00 0.00 C ATOM 666 O GLU A 45 -17.395 -13.931 2.940 1.00 0.00 O ATOM 667 CB GLU A 45 -18.495 -16.487 1.134 1.00 0.00 C ATOM 668 CG GLU A 45 -18.965 -16.798 -0.288 1.00 0.00 C ATOM 669 CD GLU A 45 -19.304 -18.278 -0.385 1.00 0.00 C ATOM 670 OE1 GLU A 45 -20.241 -18.848 0.236 1.00 0.00 O ATOM 671 OE2 GLU A 45 -18.556 -18.922 -1.169 1.00 0.00 O ATOM 0 H GLU A 45 -16.326 -17.230 0.453 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.464 -14.632 0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.230 -17.415 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.313 -16.039 1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.838 -16.195 -0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.186 -16.542 -1.006 1.00 0.00 H new ATOM 678 N ALA A 46 -16.429 -15.862 3.383 1.00 0.00 N ATOM 679 CA ALA A 46 -16.061 -15.505 4.718 1.00 0.00 C ATOM 680 C ALA A 46 -14.810 -14.702 4.814 1.00 0.00 C ATOM 681 O ALA A 46 -14.626 -13.915 5.741 1.00 0.00 O ATOM 682 CB ALA A 46 -15.907 -16.758 5.598 1.00 0.00 C ATOM 0 H ALA A 46 -16.189 -16.824 3.144 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.878 -14.877 5.074 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.627 -16.461 6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.852 -17.300 5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.133 -17.402 5.181 1.00 0.00 H new ATOM 688 N GLU A 47 -13.853 -14.907 3.891 1.00 0.00 N ATOM 689 CA GLU A 47 -12.793 -13.963 3.716 1.00 0.00 C ATOM 690 C GLU A 47 -13.211 -12.599 3.284 1.00 0.00 C ATOM 691 O GLU A 47 -12.598 -11.553 3.491 1.00 0.00 O ATOM 692 CB GLU A 47 -11.686 -14.514 2.802 1.00 0.00 C ATOM 693 CG GLU A 47 -10.877 -15.607 3.503 1.00 0.00 C ATOM 694 CD GLU A 47 -9.751 -16.266 2.720 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.026 -15.558 1.972 1.00 0.00 O ATOM 696 OE2 GLU A 47 -9.514 -17.487 2.922 1.00 0.00 O ATOM 0 H GLU A 47 -13.812 -15.717 3.272 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.395 -13.827 4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.130 -14.915 1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.022 -13.703 2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.449 -15.178 4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.570 -16.388 3.816 1.00 0.00 H new ATOM 703 N LEU A 48 -14.307 -12.477 2.514 1.00 0.00 N ATOM 704 CA LEU A 48 -14.942 -11.244 2.165 1.00 0.00 C ATOM 705 C LEU A 48 -15.534 -10.614 3.379 1.00 0.00 C ATOM 706 O LEU A 48 -15.276 -9.462 3.724 1.00 0.00 O ATOM 707 CB LEU A 48 -16.045 -11.394 1.105 1.00 0.00 C ATOM 708 CG LEU A 48 -15.377 -11.433 -0.280 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.324 -12.002 -1.350 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.902 -10.022 -0.666 1.00 0.00 C ATOM 0 H LEU A 48 -14.777 -13.288 2.111 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.160 -10.618 1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.617 -12.306 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.746 -10.562 1.166 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.516 -12.099 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.817 -12.014 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.611 -13.018 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.215 -11.378 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.429 -10.053 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.756 -9.346 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.183 -9.666 0.072 1.00 0.00 H new ATOM 722 N GLN A 49 -16.369 -11.356 4.128 1.00 0.00 N ATOM 723 CA GLN A 49 -16.910 -10.885 5.365 1.00 0.00 C ATOM 724 C GLN A 49 -15.943 -10.408 6.393 1.00 0.00 C ATOM 725 O GLN A 49 -16.204 -9.534 7.218 1.00 0.00 O ATOM 726 CB GLN A 49 -17.757 -11.993 6.012 1.00 0.00 C ATOM 727 CG GLN A 49 -18.746 -11.542 7.089 1.00 0.00 C ATOM 728 CD GLN A 49 -19.917 -10.757 6.514 1.00 0.00 C ATOM 729 OE1 GLN A 49 -20.619 -11.307 5.666 1.00 0.00 O ATOM 730 NE2 GLN A 49 -20.050 -9.460 6.899 1.00 0.00 N ATOM 0 H GLN A 49 -16.673 -12.295 3.872 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.484 -10.007 5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -18.315 -12.502 5.226 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.083 -12.728 6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -19.124 -12.416 7.619 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.224 -10.926 7.821 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.430 -9.073 7.610 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.770 -8.874 6.477 1.00 0.00 H new ATOM 739 N ASP A 50 -14.719 -10.966 6.406 1.00 0.00 N ATOM 740 CA ASP A 50 -13.653 -10.571 7.273 1.00 0.00 C ATOM 741 C ASP A 50 -13.159 -9.185 7.039 1.00 0.00 C ATOM 742 O ASP A 50 -13.071 -8.367 7.953 1.00 0.00 O ATOM 743 CB ASP A 50 -12.525 -11.598 7.074 1.00 0.00 C ATOM 744 CG ASP A 50 -11.420 -11.394 8.101 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.610 -11.765 9.290 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.300 -10.937 7.748 1.00 0.00 O ATOM 0 H ASP A 50 -14.461 -11.730 5.781 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.020 -10.555 8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.927 -12.607 7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.115 -11.504 6.068 1.00 0.00 H new ATOM 751 N MET A 51 -12.925 -8.846 5.758 1.00 0.00 N ATOM 752 CA MET A 51 -12.564 -7.528 5.338 1.00 0.00 C ATOM 753 C MET A 51 -13.697 -6.578 5.525 1.00 0.00 C ATOM 754 O MET A 51 -13.456 -5.499 6.064 1.00 0.00 O ATOM 755 CB MET A 51 -12.186 -7.662 3.853 1.00 0.00 C ATOM 756 CG MET A 51 -11.519 -6.355 3.420 1.00 0.00 C ATOM 757 SD MET A 51 -12.563 -5.212 2.468 1.00 0.00 S ATOM 758 CE MET A 51 -11.258 -4.031 2.020 1.00 0.00 C ATOM 0 H MET A 51 -12.989 -9.513 4.989 1.00 0.00 H new ATOM 0 HA MET A 51 -11.738 -7.128 5.926 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.509 -8.503 3.706 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.072 -7.857 3.249 1.00 0.00 H new ATOM 0 HG2 MET A 51 -11.165 -5.837 4.311 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.640 -6.598 2.822 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.685 -3.227 1.420 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.819 -3.613 2.926 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.486 -4.543 1.445 1.00 0.00 H new ATOM 768 N ILE A 52 -14.965 -6.890 5.205 1.00 0.00 N ATOM 769 CA ILE A 52 -16.154 -6.209 5.614 1.00 0.00 C ATOM 770 C ILE A 52 -16.250 -5.769 7.035 1.00 0.00 C ATOM 771 O ILE A 52 -16.475 -4.603 7.357 1.00 0.00 O ATOM 772 CB ILE A 52 -17.397 -6.882 5.113 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.477 -6.924 3.578 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.574 -6.114 5.738 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.861 -7.064 2.947 1.00 0.00 C ATOM 0 H ILE A 52 -15.175 -7.690 4.607 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.060 -5.249 5.106 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.410 -7.932 5.407 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.022 -6.011 3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.864 -7.756 3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.514 -6.558 5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.507 -6.168 6.825 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.536 -5.071 5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.766 -7.080 1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.323 -7.992 3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.484 -6.220 3.244 1.00 0.00 H new ATOM 787 N ASN A 53 -16.093 -6.715 7.977 1.00 0.00 N ATOM 788 CA ASN A 53 -16.312 -6.490 9.372 1.00 0.00 C ATOM 789 C ASN A 53 -15.251 -5.632 9.971 1.00 0.00 C ATOM 790 O ASN A 53 -15.502 -4.911 10.936 1.00 0.00 O ATOM 791 CB ASN A 53 -16.315 -7.815 10.152 1.00 0.00 C ATOM 792 CG ASN A 53 -17.499 -8.722 9.848 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.454 -8.417 9.135 1.00 0.00 O ATOM 794 ND2 ASN A 53 -17.434 -9.965 10.396 1.00 0.00 N ATOM 0 H ASN A 53 -15.804 -7.669 7.761 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.279 -5.993 9.446 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.394 -8.354 9.931 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.307 -7.594 11.219 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.176 -10.641 10.215 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.643 -10.221 10.988 1.00 0.00 H new ATOM 801 N GLU A 54 -14.056 -5.523 9.364 1.00 0.00 N ATOM 802 CA GLU A 54 -13.030 -4.626 9.799 1.00 0.00 C ATOM 803 C GLU A 54 -13.317 -3.171 9.660 1.00 0.00 C ATOM 804 O GLU A 54 -12.848 -2.279 10.366 1.00 0.00 O ATOM 805 CB GLU A 54 -11.768 -5.103 9.061 1.00 0.00 C ATOM 806 CG GLU A 54 -10.477 -4.692 9.772 1.00 0.00 C ATOM 807 CD GLU A 54 -9.245 -4.935 8.912 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.847 -6.115 8.726 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.742 -3.912 8.374 1.00 0.00 O ATOM 0 H GLU A 54 -13.795 -6.075 8.547 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.920 -4.675 10.882 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.796 -6.189 8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.767 -4.695 8.050 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.530 -3.636 10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.384 -5.250 10.704 1.00 0.00 H new ATOM 816 N VAL A 55 -14.110 -2.820 8.632 1.00 0.00 N ATOM 817 CA VAL A 55 -14.598 -1.500 8.377 1.00 0.00 C ATOM 818 C VAL A 55 -16.012 -1.241 8.766 1.00 0.00 C ATOM 819 O VAL A 55 -16.687 -0.373 8.215 1.00 0.00 O ATOM 820 CB VAL A 55 -14.250 -1.101 6.973 1.00 0.00 C ATOM 821 CG1 VAL A 55 -12.744 -1.311 6.741 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.068 -1.983 6.015 1.00 0.00 C ATOM 0 H VAL A 55 -14.429 -3.497 7.939 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.078 -0.832 9.063 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.482 -0.050 6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.489 -1.022 5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.179 -0.699 7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.495 -2.361 6.893 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.835 -1.714 4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.818 -3.031 6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.132 -1.830 6.198 1.00 0.00 H new ATOM 832 N ASP A 56 -16.518 -2.071 9.695 1.00 0.00 N ATOM 833 CA ASP A 56 -17.876 -2.033 10.142 1.00 0.00 C ATOM 834 C ASP A 56 -17.920 -1.292 11.434 1.00 0.00 C ATOM 835 O ASP A 56 -17.380 -1.727 12.450 1.00 0.00 O ATOM 836 CB ASP A 56 -18.418 -3.470 10.067 1.00 0.00 C ATOM 837 CG ASP A 56 -19.936 -3.547 10.151 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.612 -2.507 9.926 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.479 -4.682 10.216 1.00 0.00 O ATOM 0 H ASP A 56 -15.962 -2.794 10.151 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.571 -1.465 9.523 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.089 -3.926 9.133 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.986 -4.056 10.878 1.00 0.00 H new ATOM 844 N ALA A 57 -18.699 -0.197 11.498 1.00 0.00 N ATOM 845 CA ALA A 57 -18.740 0.593 12.689 1.00 0.00 C ATOM 846 C ALA A 57 -19.944 0.119 13.428 1.00 0.00 C ATOM 847 O ALA A 57 -19.898 0.095 14.657 1.00 0.00 O ATOM 848 CB ALA A 57 -18.842 2.106 12.435 1.00 0.00 C ATOM 0 H ALA A 57 -19.292 0.137 10.738 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.809 0.468 13.242 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.868 2.634 13.388 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.977 2.438 11.860 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.753 2.321 11.876 1.00 0.00 H new ATOM 854 N ASP A 58 -21.085 -0.066 12.739 1.00 0.00 N ATOM 855 CA ASP A 58 -22.358 -0.422 13.282 1.00 0.00 C ATOM 856 C ASP A 58 -22.472 -1.873 13.598 1.00 0.00 C ATOM 857 O ASP A 58 -23.139 -2.215 14.574 1.00 0.00 O ATOM 858 CB ASP A 58 -23.642 0.056 12.583 1.00 0.00 C ATOM 859 CG ASP A 58 -23.512 -0.309 11.111 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.379 -1.524 10.804 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.530 0.554 10.193 1.00 0.00 O ATOM 0 H ASP A 58 -21.117 0.042 11.725 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.328 0.182 14.189 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.519 -0.419 13.022 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.769 1.132 12.703 1.00 0.00 H new ATOM 866 N GLY A 59 -21.869 -2.778 12.806 1.00 0.00 N ATOM 867 CA GLY A 59 -21.880 -4.198 12.968 1.00 0.00 C ATOM 868 C GLY A 59 -22.953 -4.977 12.288 1.00 0.00 C ATOM 869 O GLY A 59 -23.199 -6.110 12.697 1.00 0.00 O ATOM 0 H GLY A 59 -21.332 -2.492 11.988 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -20.920 -4.580 12.620 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.940 -4.411 14.035 1.00 0.00 H new ATOM 873 N ASN A 60 -23.570 -4.417 11.232 1.00 0.00 N ATOM 874 CA ASN A 60 -24.637 -5.039 10.511 1.00 0.00 C ATOM 875 C ASN A 60 -24.216 -6.021 9.473 1.00 0.00 C ATOM 876 O ASN A 60 -25.037 -6.645 8.802 1.00 0.00 O ATOM 877 CB ASN A 60 -25.496 -3.914 9.910 1.00 0.00 C ATOM 878 CG ASN A 60 -24.919 -3.044 8.801 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.764 -3.197 8.407 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.739 -2.074 8.317 1.00 0.00 N ATOM 0 H ASN A 60 -23.317 -3.499 10.867 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.203 -5.650 11.214 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.409 -4.369 9.527 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -25.787 -3.253 10.726 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.403 -1.435 7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.690 -1.985 8.674 1.00 0.00 H new ATOM 887 N GLY A 61 -22.895 -6.149 9.256 1.00 0.00 N ATOM 888 CA GLY A 61 -22.266 -7.048 8.339 1.00 0.00 C ATOM 889 C GLY A 61 -22.214 -6.533 6.942 1.00 0.00 C ATOM 890 O GLY A 61 -21.859 -7.264 6.018 1.00 0.00 O ATOM 0 H GLY A 61 -22.216 -5.580 9.761 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.251 -7.252 8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.802 -7.997 8.348 1.00 0.00 H new ATOM 894 N THR A 62 -22.608 -5.261 6.752 1.00 0.00 N ATOM 895 CA THR A 62 -22.388 -4.569 5.520 1.00 0.00 C ATOM 896 C THR A 62 -21.546 -3.343 5.620 1.00 0.00 C ATOM 897 O THR A 62 -21.552 -2.610 6.607 1.00 0.00 O ATOM 898 CB THR A 62 -23.661 -4.289 4.779 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.663 -3.669 5.572 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.200 -5.639 4.276 1.00 0.00 C ATOM 0 H THR A 62 -23.085 -4.706 7.462 1.00 0.00 H new ATOM 0 HA THR A 62 -21.799 -5.276 4.936 1.00 0.00 H new ATOM 0 HB THR A 62 -23.431 -3.592 3.973 1.00 0.00 H new ATOM 0 HG1 THR A 62 -24.248 -3.253 6.357 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.129 -5.479 3.729 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.466 -6.101 3.616 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.387 -6.295 5.126 1.00 0.00 H new ATOM 908 N ILE A 63 -20.742 -2.945 4.618 1.00 0.00 N ATOM 909 CA ILE A 63 -20.162 -1.638 4.627 1.00 0.00 C ATOM 910 C ILE A 63 -21.062 -0.500 4.285 1.00 0.00 C ATOM 911 O ILE A 63 -21.606 -0.573 3.184 1.00 0.00 O ATOM 912 CB ILE A 63 -18.857 -1.603 3.888 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.006 -2.882 3.953 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.018 -0.433 4.427 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.069 -3.008 2.751 1.00 0.00 C ATOM 0 H ILE A 63 -20.496 -3.519 3.812 1.00 0.00 H new ATOM 0 HA ILE A 63 -19.960 -1.454 5.682 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.129 -1.491 2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -17.419 -2.881 4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.661 -3.752 3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.065 -0.395 3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.556 0.502 4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -17.837 -0.576 5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.487 -3.925 2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.656 -3.036 1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.395 -2.152 2.724 1.00 0.00 H new ATOM 927 N ASP A 64 -21.414 0.456 5.163 1.00 0.00 N ATOM 928 CA ASP A 64 -22.319 1.531 4.900 1.00 0.00 C ATOM 929 C ASP A 64 -21.513 2.717 4.495 1.00 0.00 C ATOM 930 O ASP A 64 -20.297 2.783 4.668 1.00 0.00 O ATOM 931 CB ASP A 64 -23.226 1.830 6.105 1.00 0.00 C ATOM 932 CG ASP A 64 -24.112 0.617 6.347 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.695 -0.471 6.826 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.326 0.838 6.094 1.00 0.00 O ATOM 0 H ASP A 64 -21.044 0.479 6.113 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.997 1.254 4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.625 2.044 6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.835 2.713 5.912 1.00 0.00 H new ATOM 939 N PHE A 65 -22.138 3.790 3.979 1.00 0.00 N ATOM 940 CA PHE A 65 -21.405 4.901 3.456 1.00 0.00 C ATOM 941 C PHE A 65 -20.692 5.781 4.425 1.00 0.00 C ATOM 942 O PHE A 65 -19.550 6.056 4.062 1.00 0.00 O ATOM 943 CB PHE A 65 -22.291 5.672 2.464 1.00 0.00 C ATOM 944 CG PHE A 65 -21.677 6.803 1.713 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.801 6.591 0.674 1.00 0.00 C ATOM 946 CD2 PHE A 65 -22.008 8.072 2.125 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.248 7.714 0.105 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.391 9.159 1.551 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.532 9.003 0.489 1.00 0.00 C ATOM 0 H PHE A 65 -23.152 3.889 3.924 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.552 4.461 2.939 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.677 4.958 1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.148 6.062 3.014 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.561 5.598 0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.750 8.215 2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.541 7.574 -0.700 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.584 10.148 1.940 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.101 9.853 -0.019 1.00 0.00 H new ATOM 959 N PRO A 66 -21.112 6.079 5.619 1.00 0.00 N ATOM 960 CA PRO A 66 -20.204 6.589 6.604 1.00 0.00 C ATOM 961 C PRO A 66 -18.979 5.808 6.935 1.00 0.00 C ATOM 962 O PRO A 66 -18.006 6.499 7.230 1.00 0.00 O ATOM 963 CB PRO A 66 -21.061 6.760 7.857 1.00 0.00 C ATOM 964 CG PRO A 66 -22.498 6.896 7.329 1.00 0.00 C ATOM 965 CD PRO A 66 -22.497 6.027 6.062 1.00 0.00 C ATOM 0 HA PRO A 66 -19.765 7.495 6.185 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.963 5.903 8.524 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.762 7.641 8.424 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -23.228 6.543 8.057 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.747 7.933 7.104 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.813 5.006 6.275 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -23.176 6.419 5.305 1.00 0.00 H new ATOM 973 N GLU A 67 -19.072 4.467 6.890 1.00 0.00 N ATOM 974 CA GLU A 67 -17.943 3.618 7.109 1.00 0.00 C ATOM 975 C GLU A 67 -17.004 3.469 5.962 1.00 0.00 C ATOM 976 O GLU A 67 -15.798 3.417 6.196 1.00 0.00 O ATOM 977 CB GLU A 67 -18.387 2.264 7.689 1.00 0.00 C ATOM 978 CG GLU A 67 -19.611 2.320 8.606 1.00 0.00 C ATOM 979 CD GLU A 67 -20.281 0.957 8.713 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.316 0.162 7.736 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.845 0.537 9.758 1.00 0.00 O ATOM 0 H GLU A 67 -19.940 3.966 6.700 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.336 4.141 7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.602 1.586 6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.554 1.834 8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.311 2.660 9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.324 3.049 8.221 1.00 0.00 H new ATOM 988 N PHE A 68 -17.447 3.489 4.692 1.00 0.00 N ATOM 989 CA PHE A 68 -16.600 3.529 3.540 1.00 0.00 C ATOM 990 C PHE A 68 -15.957 4.873 3.515 1.00 0.00 C ATOM 991 O PHE A 68 -14.783 4.925 3.155 1.00 0.00 O ATOM 992 CB PHE A 68 -17.441 3.310 2.271 1.00 0.00 C ATOM 993 CG PHE A 68 -16.586 3.174 1.058 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.069 1.925 0.804 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.341 4.236 0.220 1.00 0.00 C ATOM 996 CE1 PHE A 68 -15.323 1.706 -0.329 1.00 0.00 C ATOM 997 CE2 PHE A 68 -15.518 4.056 -0.866 1.00 0.00 C ATOM 998 CZ PHE A 68 -15.069 2.786 -1.141 1.00 0.00 C ATOM 0 H PHE A 68 -18.440 3.477 4.458 1.00 0.00 H new ATOM 0 HA PHE A 68 -15.843 2.746 3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.050 2.414 2.389 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.127 4.147 2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.250 1.116 1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -16.790 5.199 0.413 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.950 0.722 -0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.231 4.891 -1.488 1.00 0.00 H new ATOM 0 HZ PHE A 68 -14.489 2.629 -2.038 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.566 5.997 3.932 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.867 7.239 4.048 1.00 0.00 C ATOM 1010 C LEU A 69 -14.800 7.288 5.087 1.00 0.00 C ATOM 1011 O LEU A 69 -13.658 7.690 4.872 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.800 8.439 4.276 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.516 8.881 2.988 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.432 10.099 3.196 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.577 9.194 1.812 1.00 0.00 C ATOM 0 H LEU A 69 -17.551 6.045 4.191 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.383 7.309 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.543 8.179 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.222 9.274 4.672 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.111 8.005 2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.908 10.362 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -19.198 9.857 3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.840 10.943 3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.166 9.497 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.901 10.002 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -15.997 8.305 1.563 1.00 0.00 H new ATOM 1027 N THR A 70 -15.096 6.725 6.272 1.00 0.00 N ATOM 1028 CA THR A 70 -14.174 6.516 7.345 1.00 0.00 C ATOM 1029 C THR A 70 -12.987 5.717 6.928 1.00 0.00 C ATOM 1030 O THR A 70 -11.849 6.098 7.198 1.00 0.00 O ATOM 1031 CB THR A 70 -14.785 5.948 8.591 1.00 0.00 C ATOM 1032 OG1 THR A 70 -15.698 6.871 9.168 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.753 5.553 9.661 1.00 0.00 C ATOM 0 H THR A 70 -16.036 6.396 6.494 1.00 0.00 H new ATOM 0 HA THR A 70 -13.840 7.520 7.605 1.00 0.00 H new ATOM 0 HB THR A 70 -15.298 5.040 8.272 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.534 6.868 8.656 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.269 5.150 10.533 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.080 4.797 9.256 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.178 6.431 9.953 1.00 0.00 H new ATOM 1041 N MET A 71 -13.221 4.622 6.183 1.00 0.00 N ATOM 1042 CA MET A 71 -12.251 3.812 5.515 1.00 0.00 C ATOM 1043 C MET A 71 -11.368 4.573 4.587 1.00 0.00 C ATOM 1044 O MET A 71 -10.139 4.533 4.617 1.00 0.00 O ATOM 1045 CB MET A 71 -13.035 2.755 4.720 1.00 0.00 C ATOM 1046 CG MET A 71 -12.273 1.795 3.804 1.00 0.00 C ATOM 1047 SD MET A 71 -13.275 0.375 3.271 1.00 0.00 S ATOM 1048 CE MET A 71 -11.938 -0.391 2.310 1.00 0.00 C ATOM 0 H MET A 71 -14.169 4.276 6.037 1.00 0.00 H new ATOM 0 HA MET A 71 -11.588 3.378 6.263 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.593 2.152 5.437 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.768 3.281 4.108 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.927 2.339 2.925 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.386 1.432 4.324 1.00 0.00 H new ATOM 0 HE1 MET A 71 -12.365 -0.979 1.498 1.00 0.00 H new ATOM 0 HE2 MET A 71 -11.296 0.386 1.896 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.350 -1.040 2.958 1.00 0.00 H new ATOM 1058 N MET A 72 -11.928 5.484 3.772 1.00 0.00 N ATOM 1059 CA MET A 72 -11.147 6.265 2.865 1.00 0.00 C ATOM 1060 C MET A 72 -10.442 7.455 3.420 1.00 0.00 C ATOM 1061 O MET A 72 -9.333 7.723 2.960 1.00 0.00 O ATOM 1062 CB MET A 72 -11.947 6.652 1.610 1.00 0.00 C ATOM 1063 CG MET A 72 -12.323 5.434 0.765 1.00 0.00 C ATOM 1064 SD MET A 72 -10.800 4.656 0.149 1.00 0.00 S ATOM 1065 CE MET A 72 -11.753 3.115 0.024 1.00 0.00 C ATOM 0 H MET A 72 -12.928 5.680 3.742 1.00 0.00 H new ATOM 0 HA MET A 72 -10.340 5.580 2.605 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.853 7.179 1.908 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.360 7.344 1.006 1.00 0.00 H new ATOM 0 HG2 MET A 72 -12.895 4.723 1.361 1.00 0.00 H new ATOM 0 HG3 MET A 72 -12.957 5.734 -0.069 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.258 2.333 0.600 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.757 3.275 0.418 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.817 2.811 -1.021 1.00 0.00 H new ATOM 1075 N ALA A 73 -11.020 8.082 4.460 1.00 0.00 N ATOM 1076 CA ALA A 73 -10.349 8.993 5.335 1.00 0.00 C ATOM 1077 C ALA A 73 -9.130 8.497 6.033 1.00 0.00 C ATOM 1078 O ALA A 73 -8.083 9.140 6.083 1.00 0.00 O ATOM 1079 CB ALA A 73 -11.340 9.688 6.284 1.00 0.00 C ATOM 0 H ALA A 73 -12.002 7.947 4.702 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.927 9.734 4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.799 10.374 6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.073 10.244 5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.851 8.939 6.889 1.00 0.00 H new ATOM 1234 N GLU A 83 3.760 5.854 2.896 1.00 0.00 N ATOM 1235 CA GLU A 83 3.745 5.383 4.246 1.00 0.00 C ATOM 1236 C GLU A 83 2.693 4.348 4.452 1.00 0.00 C ATOM 1237 O GLU A 83 2.764 3.582 5.411 1.00 0.00 O ATOM 1238 CB GLU A 83 3.512 6.554 5.216 1.00 0.00 C ATOM 1239 CG GLU A 83 3.573 6.234 6.711 1.00 0.00 C ATOM 1240 CD GLU A 83 3.695 7.559 7.449 1.00 0.00 C ATOM 1241 OE1 GLU A 83 4.720 8.263 7.245 1.00 0.00 O ATOM 1242 OE2 GLU A 83 2.857 7.842 8.347 1.00 0.00 O ATOM 0 HA GLU A 83 4.715 4.929 4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.253 7.324 5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.534 6.984 5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.678 5.698 7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.424 5.590 6.932 1.00 0.00 H new ATOM 1249 N GLU A 84 1.668 4.335 3.581 1.00 0.00 N ATOM 1250 CA GLU A 84 0.930 3.114 3.480 1.00 0.00 C ATOM 1251 C GLU A 84 1.649 1.840 3.199 1.00 0.00 C ATOM 1252 O GLU A 84 1.554 0.860 3.937 1.00 0.00 O ATOM 1253 CB GLU A 84 -0.235 3.238 2.483 1.00 0.00 C ATOM 1254 CG GLU A 84 -1.231 2.141 2.864 1.00 0.00 C ATOM 1255 CD GLU A 84 -2.631 2.156 2.267 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -3.561 2.826 2.789 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -2.821 1.623 1.142 1.00 0.00 O ATOM 0 H GLU A 84 1.365 5.107 2.987 1.00 0.00 H new ATOM 0 HA GLU A 84 0.604 3.007 4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.697 4.223 2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.113 3.111 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.777 1.184 2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.339 2.161 3.948 1.00 0.00 H new ATOM 1264 N ILE A 85 2.388 1.860 2.075 1.00 0.00 N ATOM 1265 CA ILE A 85 3.143 0.685 1.769 1.00 0.00 C ATOM 1266 C ILE A 85 4.398 0.429 2.531 1.00 0.00 C ATOM 1267 O ILE A 85 4.755 -0.737 2.686 1.00 0.00 O ATOM 1268 CB ILE A 85 3.295 0.546 0.283 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.285 1.479 -0.434 1.00 0.00 C ATOM 1270 CG2 ILE A 85 1.856 0.600 -0.256 1.00 0.00 C ATOM 1271 CD1 ILE A 85 4.318 1.075 -1.907 1.00 0.00 C ATOM 0 H ILE A 85 2.463 2.635 1.416 1.00 0.00 H new ATOM 0 HA ILE A 85 2.534 -0.132 2.158 1.00 0.00 H new ATOM 0 HB ILE A 85 3.799 -0.395 0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.975 2.519 -0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.278 1.396 0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.870 0.505 -1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.276 -0.218 0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.400 1.551 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.013 1.719 -2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.644 0.038 -1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.321 1.179 -2.335 1.00 0.00 H new ATOM 1283 N ARG A 86 5.027 1.474 3.099 1.00 0.00 N ATOM 1284 CA ARG A 86 6.016 1.241 4.104 1.00 0.00 C ATOM 1285 C ARG A 86 5.525 0.717 5.410 1.00 0.00 C ATOM 1286 O ARG A 86 6.272 -0.066 5.994 1.00 0.00 O ATOM 1287 CB ARG A 86 6.765 2.563 4.342 1.00 0.00 C ATOM 1288 CG ARG A 86 8.197 2.376 4.847 1.00 0.00 C ATOM 1289 CD ARG A 86 9.091 3.617 4.824 1.00 0.00 C ATOM 1290 NE ARG A 86 10.456 3.127 5.164 1.00 0.00 N ATOM 1291 CZ ARG A 86 11.595 3.881 5.153 1.00 0.00 C ATOM 1292 NH1 ARG A 86 11.524 5.244 5.165 1.00 0.00 N ATOM 1293 NH2 ARG A 86 12.786 3.216 5.173 1.00 0.00 N ATOM 0 H ARG A 86 4.858 2.454 2.871 1.00 0.00 H new ATOM 0 HA ARG A 86 6.650 0.445 3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.788 3.130 3.411 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.209 3.160 5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.153 2.005 5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.673 1.600 4.247 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.077 4.093 3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.750 4.361 5.544 1.00 0.00 H new ATOM 0 HE ARG A 86 10.548 2.146 5.427 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.615 5.707 5.182 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.380 5.799 5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.800 2.196 5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.662 3.738 5.166 1.00 0.00 H new ATOM 1307 N GLU A 87 4.314 1.010 5.916 1.00 0.00 N ATOM 1308 CA GLU A 87 3.714 0.115 6.857 1.00 0.00 C ATOM 1309 C GLU A 87 3.270 -1.219 6.366 1.00 0.00 C ATOM 1310 O GLU A 87 3.372 -2.140 7.175 1.00 0.00 O ATOM 1311 CB GLU A 87 2.605 0.885 7.594 1.00 0.00 C ATOM 1312 CG GLU A 87 2.366 0.329 8.998 1.00 0.00 C ATOM 1313 CD GLU A 87 3.509 0.558 9.976 1.00 0.00 C ATOM 1314 OE1 GLU A 87 3.741 1.781 10.173 1.00 0.00 O ATOM 1315 OE2 GLU A 87 4.018 -0.319 10.724 1.00 0.00 O ATOM 0 H GLU A 87 3.765 1.838 5.684 1.00 0.00 H new ATOM 0 HA GLU A 87 4.512 -0.192 7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.877 1.938 7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.681 0.830 7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.462 0.782 9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.179 -0.742 8.923 1.00 0.00 H new ATOM 1322 N ALA A 88 2.717 -1.448 5.162 1.00 0.00 N ATOM 1323 CA ALA A 88 2.204 -2.724 4.769 1.00 0.00 C ATOM 1324 C ALA A 88 3.331 -3.681 4.581 1.00 0.00 C ATOM 1325 O ALA A 88 3.155 -4.890 4.721 1.00 0.00 O ATOM 1326 CB ALA A 88 1.490 -2.675 3.408 1.00 0.00 C ATOM 0 H ALA A 88 2.624 -0.729 4.444 1.00 0.00 H new ATOM 0 HA ALA A 88 1.510 -3.025 5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.119 -3.668 3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.654 -1.978 3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.190 -2.344 2.641 1.00 0.00 H new ATOM 1332 N PHE A 89 4.534 -3.161 4.278 1.00 0.00 N ATOM 1333 CA PHE A 89 5.718 -3.941 4.092 1.00 0.00 C ATOM 1334 C PHE A 89 6.037 -4.550 5.414 1.00 0.00 C ATOM 1335 O PHE A 89 6.488 -5.683 5.579 1.00 0.00 O ATOM 1336 CB PHE A 89 6.847 -3.024 3.594 1.00 0.00 C ATOM 1337 CG PHE A 89 8.158 -3.732 3.563 1.00 0.00 C ATOM 1338 CD1 PHE A 89 8.285 -4.635 2.535 1.00 0.00 C ATOM 1339 CD2 PHE A 89 9.186 -3.445 4.429 1.00 0.00 C ATOM 1340 CE1 PHE A 89 9.538 -5.135 2.268 1.00 0.00 C ATOM 1341 CE2 PHE A 89 10.413 -3.980 4.114 1.00 0.00 C ATOM 1342 CZ PHE A 89 10.610 -4.875 3.089 1.00 0.00 C ATOM 0 H PHE A 89 4.688 -2.160 4.158 1.00 0.00 H new ATOM 0 HA PHE A 89 5.589 -4.727 3.348 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.606 -2.660 2.595 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.920 -2.151 4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.428 -4.942 1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 89 9.038 -2.834 5.307 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.684 -5.748 1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.267 -3.681 4.703 1.00 0.00 H new ATOM 0 HZ PHE A 89 11.566 -5.353 2.935 1.00 0.00 H new ATOM 1352 N ARG A 90 5.920 -3.731 6.474 1.00 0.00 N ATOM 1353 CA ARG A 90 6.156 -4.132 7.826 1.00 0.00 C ATOM 1354 C ARG A 90 4.968 -4.737 8.492 1.00 0.00 C ATOM 1355 O ARG A 90 5.085 -5.387 9.530 1.00 0.00 O ATOM 1356 CB ARG A 90 6.622 -2.821 8.482 1.00 0.00 C ATOM 1357 CG ARG A 90 6.841 -2.989 9.987 1.00 0.00 C ATOM 1358 CD ARG A 90 7.673 -1.793 10.457 1.00 0.00 C ATOM 1359 NE ARG A 90 6.832 -0.566 10.375 1.00 0.00 N ATOM 1360 CZ ARG A 90 7.236 0.644 10.861 1.00 0.00 C ATOM 1361 NH1 ARG A 90 8.546 0.954 11.089 1.00 0.00 N ATOM 1362 NH2 ARG A 90 6.377 1.705 10.866 1.00 0.00 N ATOM 0 H ARG A 90 5.650 -2.751 6.386 1.00 0.00 H new ATOM 0 HA ARG A 90 6.886 -4.937 7.906 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.549 -2.489 8.014 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.880 -2.042 8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.887 -3.025 10.513 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.358 -3.925 10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.015 -1.949 11.480 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.562 -1.684 9.836 1.00 0.00 H new ATOM 0 HE ARG A 90 5.914 -0.633 9.936 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.274 0.266 10.895 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.797 1.873 11.453 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.429 1.595 10.506 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.683 2.607 11.230 1.00 0.00 H new ATOM 1376 N VAL A 91 3.744 -4.741 7.937 1.00 0.00 N ATOM 1377 CA VAL A 91 2.655 -5.565 8.362 1.00 0.00 C ATOM 1378 C VAL A 91 2.912 -6.963 7.914 1.00 0.00 C ATOM 1379 O VAL A 91 2.720 -7.922 8.659 1.00 0.00 O ATOM 1380 CB VAL A 91 1.346 -5.080 7.812 1.00 0.00 C ATOM 1381 CG1 VAL A 91 0.197 -6.102 7.832 1.00 0.00 C ATOM 1382 CG2 VAL A 91 0.991 -3.884 8.712 1.00 0.00 C ATOM 0 H VAL A 91 3.501 -4.138 7.151 1.00 0.00 H new ATOM 0 HA VAL A 91 2.586 -5.521 9.449 1.00 0.00 H new ATOM 0 HB VAL A 91 1.462 -4.849 6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.701 -5.648 7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.474 -6.973 7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.002 -6.410 8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.042 -3.455 8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.905 -4.219 9.746 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.774 -3.129 8.639 1.00 0.00 H new ATOM 1392 N PHE A 92 3.335 -7.115 6.647 1.00 0.00 N ATOM 1393 CA PHE A 92 3.707 -8.354 6.038 1.00 0.00 C ATOM 1394 C PHE A 92 4.938 -9.039 6.525 1.00 0.00 C ATOM 1395 O PHE A 92 4.934 -10.256 6.702 1.00 0.00 O ATOM 1396 CB PHE A 92 3.872 -8.040 4.542 1.00 0.00 C ATOM 1397 CG PHE A 92 2.537 -7.718 3.963 1.00 0.00 C ATOM 1398 CD1 PHE A 92 1.265 -7.921 4.443 1.00 0.00 C ATOM 1399 CD2 PHE A 92 2.654 -7.188 2.700 1.00 0.00 C ATOM 1400 CE1 PHE A 92 0.171 -7.554 3.695 1.00 0.00 C ATOM 1401 CE2 PHE A 92 1.577 -6.862 1.909 1.00 0.00 C ATOM 1402 CZ PHE A 92 0.320 -6.984 2.453 1.00 0.00 C ATOM 0 H PHE A 92 3.422 -6.324 6.009 1.00 0.00 H new ATOM 0 HA PHE A 92 2.923 -9.066 6.295 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.553 -7.200 4.407 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.311 -8.893 4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.124 -8.372 5.414 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.646 -7.018 2.307 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.821 -7.716 4.090 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.714 -6.521 0.893 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.544 -6.634 1.908 1.00 0.00 H new ATOM 1412 N ASP A 93 6.046 -8.348 6.846 1.00 0.00 N ATOM 1413 CA ASP A 93 7.128 -9.052 7.462 1.00 0.00 C ATOM 1414 C ASP A 93 6.871 -9.213 8.921 1.00 0.00 C ATOM 1415 O ASP A 93 6.794 -8.238 9.666 1.00 0.00 O ATOM 1416 CB ASP A 93 8.496 -8.420 7.154 1.00 0.00 C ATOM 1417 CG ASP A 93 9.591 -9.460 7.340 1.00 0.00 C ATOM 1418 OD1 ASP A 93 9.418 -10.610 6.856 1.00 0.00 O ATOM 1419 OD2 ASP A 93 10.645 -9.174 7.968 1.00 0.00 O ATOM 0 H ASP A 93 6.192 -7.351 6.689 1.00 0.00 H new ATOM 0 HA ASP A 93 7.178 -10.049 7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.511 -8.040 6.132 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.672 -7.570 7.813 1.00 0.00 H new ATOM 1424 N LYS A 94 6.876 -10.437 9.477 1.00 0.00 N ATOM 1425 CA LYS A 94 6.576 -10.670 10.855 1.00 0.00 C ATOM 1426 C LYS A 94 7.629 -10.288 11.837 1.00 0.00 C ATOM 1427 O LYS A 94 7.344 -9.634 12.839 1.00 0.00 O ATOM 1428 CB LYS A 94 6.074 -12.109 11.065 1.00 0.00 C ATOM 1429 CG LYS A 94 5.198 -12.308 12.303 1.00 0.00 C ATOM 1430 CD LYS A 94 3.799 -11.756 12.021 1.00 0.00 C ATOM 1431 CE LYS A 94 2.897 -11.994 13.234 1.00 0.00 C ATOM 1432 NZ LYS A 94 1.603 -11.306 13.029 1.00 0.00 N ATOM 0 H LYS A 94 7.094 -11.286 8.956 1.00 0.00 H new ATOM 0 HA LYS A 94 5.773 -9.969 11.084 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.509 -12.414 10.184 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.936 -12.773 11.136 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.140 -13.367 12.557 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.637 -11.798 13.160 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.856 -10.690 11.801 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.377 -12.241 11.141 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.735 -13.062 13.376 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.380 -11.622 14.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.990 -11.467 13.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.767 -10.285 12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.142 -11.681 12.176 1.00 0.00 H new ATOM 1446 N ASP A 95 8.900 -10.597 11.522 1.00 0.00 N ATOM 1447 CA ASP A 95 10.085 -10.260 12.248 1.00 0.00 C ATOM 1448 C ASP A 95 10.466 -8.822 12.169 1.00 0.00 C ATOM 1449 O ASP A 95 10.499 -8.105 13.168 1.00 0.00 O ATOM 1450 CB ASP A 95 11.190 -11.283 11.938 1.00 0.00 C ATOM 1451 CG ASP A 95 11.396 -11.424 10.437 1.00 0.00 C ATOM 1452 OD1 ASP A 95 10.518 -11.979 9.723 1.00 0.00 O ATOM 1453 OD2 ASP A 95 12.487 -11.008 9.963 1.00 0.00 O ATOM 0 H ASP A 95 9.115 -11.132 10.681 1.00 0.00 H new ATOM 0 HA ASP A 95 9.881 -10.350 13.315 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.122 -10.971 12.409 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.925 -12.250 12.365 1.00 0.00 H new ATOM 1458 N GLY A 96 10.617 -8.309 10.935 1.00 0.00 N ATOM 1459 CA GLY A 96 10.994 -6.978 10.574 1.00 0.00 C ATOM 1460 C GLY A 96 12.445 -6.805 10.284 1.00 0.00 C ATOM 1461 O GLY A 96 13.126 -6.021 10.943 1.00 0.00 O ATOM 0 H GLY A 96 10.459 -8.887 10.109 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.422 -6.677 9.696 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.715 -6.303 11.383 1.00 0.00 H new ATOM 1465 N ASN A 97 13.026 -7.575 9.347 1.00 0.00 N ATOM 1466 CA ASN A 97 14.444 -7.469 9.192 1.00 0.00 C ATOM 1467 C ASN A 97 14.787 -6.402 8.210 1.00 0.00 C ATOM 1468 O ASN A 97 15.909 -5.905 8.294 1.00 0.00 O ATOM 1469 CB ASN A 97 15.129 -8.817 8.916 1.00 0.00 C ATOM 1470 CG ASN A 97 14.602 -9.482 7.652 1.00 0.00 C ATOM 1471 OD1 ASN A 97 13.419 -9.677 7.378 1.00 0.00 O ATOM 1472 ND2 ASN A 97 15.484 -9.914 6.712 1.00 0.00 N ATOM 0 H ASN A 97 12.550 -8.233 8.730 1.00 0.00 H new ATOM 0 HA ASN A 97 14.859 -7.160 10.152 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.204 -8.664 8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.974 -9.482 9.766 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.144 -10.360 5.860 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.486 -9.792 6.859 1.00 0.00 H new ATOM 1479 N GLY A 98 13.925 -5.948 7.282 1.00 0.00 N ATOM 1480 CA GLY A 98 14.225 -4.997 6.258 1.00 0.00 C ATOM 1481 C GLY A 98 14.026 -5.517 4.876 1.00 0.00 C ATOM 1482 O GLY A 98 13.756 -4.729 3.971 1.00 0.00 O ATOM 0 H GLY A 98 12.957 -6.267 7.246 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.598 -4.116 6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.260 -4.673 6.368 1.00 0.00 H new ATOM 1486 N TYR A 99 13.976 -6.858 4.795 1.00 0.00 N ATOM 1487 CA TYR A 99 13.682 -7.605 3.611 1.00 0.00 C ATOM 1488 C TYR A 99 12.512 -8.502 3.830 1.00 0.00 C ATOM 1489 O TYR A 99 12.007 -8.669 4.939 1.00 0.00 O ATOM 1490 CB TYR A 99 14.893 -8.535 3.430 1.00 0.00 C ATOM 1491 CG TYR A 99 16.161 -7.800 3.164 1.00 0.00 C ATOM 1492 CD1 TYR A 99 16.234 -7.094 1.986 1.00 0.00 C ATOM 1493 CD2 TYR A 99 17.193 -7.840 4.072 1.00 0.00 C ATOM 1494 CE1 TYR A 99 17.337 -6.288 1.830 1.00 0.00 C ATOM 1495 CE2 TYR A 99 18.234 -6.951 3.943 1.00 0.00 C ATOM 1496 CZ TYR A 99 18.283 -6.161 2.819 1.00 0.00 C ATOM 1497 OH TYR A 99 19.357 -5.269 2.617 1.00 0.00 O ATOM 0 H TYR A 99 14.151 -7.456 5.603 1.00 0.00 H new ATOM 0 HA TYR A 99 13.479 -6.937 2.774 1.00 0.00 H new ATOM 0 HB2 TYR A 99 15.014 -9.143 4.327 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.697 -9.220 2.605 1.00 0.00 H new ATOM 0 HD1 TYR A 99 15.469 -7.168 1.227 1.00 0.00 H new ATOM 0 HD2 TYR A 99 17.186 -8.561 4.876 1.00 0.00 H new ATOM 0 HE1 TYR A 99 17.463 -5.741 0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 99 18.995 -6.875 4.706 1.00 0.00 H new ATOM 0 HH TYR A 99 19.946 -5.283 3.400 1.00 0.00 H new ATOM 1507 N ILE A 100 12.052 -9.182 2.764 1.00 0.00 N ATOM 1508 CA ILE A 100 11.099 -10.248 2.749 1.00 0.00 C ATOM 1509 C ILE A 100 11.821 -11.303 1.983 1.00 0.00 C ATOM 1510 O ILE A 100 12.276 -11.003 0.881 1.00 0.00 O ATOM 1511 CB ILE A 100 9.737 -9.892 2.231 1.00 0.00 C ATOM 1512 CG1 ILE A 100 9.121 -8.623 2.843 1.00 0.00 C ATOM 1513 CG2 ILE A 100 8.817 -11.094 2.506 1.00 0.00 C ATOM 1514 CD1 ILE A 100 7.793 -8.221 2.203 1.00 0.00 C ATOM 0 H ILE A 100 12.381 -8.962 1.824 1.00 0.00 H new ATOM 0 HA ILE A 100 10.813 -10.572 3.750 1.00 0.00 H new ATOM 0 HB ILE A 100 9.841 -9.669 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.968 -8.781 3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 100 9.828 -7.800 2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.813 -10.874 2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.204 -11.974 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.781 -11.287 3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.416 -7.318 2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.944 -8.030 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.070 -9.027 2.328 1.00 0.00 H new ATOM 1526 N SER A 101 11.867 -12.570 2.432 1.00 0.00 N ATOM 1527 CA SER A 101 12.324 -13.617 1.572 1.00 0.00 C ATOM 1528 C SER A 101 11.209 -14.000 0.661 1.00 0.00 C ATOM 1529 O SER A 101 10.084 -13.703 1.059 1.00 0.00 O ATOM 1530 CB SER A 101 12.870 -14.777 2.422 1.00 0.00 C ATOM 1531 OG SER A 101 11.861 -15.584 3.011 1.00 0.00 O ATOM 0 H SER A 101 11.594 -12.866 3.369 1.00 0.00 H new ATOM 0 HA SER A 101 13.152 -13.293 0.942 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.505 -15.405 1.797 1.00 0.00 H new ATOM 0 HB3 SER A 101 13.502 -14.370 3.211 1.00 0.00 H new ATOM 0 HG SER A 101 11.673 -15.263 3.917 1.00 0.00 H new ATOM 1537 N ALA A 102 11.343 -14.678 -0.493 1.00 0.00 N ATOM 1538 CA ALA A 102 10.229 -15.177 -1.238 1.00 0.00 C ATOM 1539 C ALA A 102 9.266 -16.101 -0.575 1.00 0.00 C ATOM 1540 O ALA A 102 8.055 -16.038 -0.783 1.00 0.00 O ATOM 1541 CB ALA A 102 10.762 -15.740 -2.566 1.00 0.00 C ATOM 0 H ALA A 102 12.247 -14.884 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 102 9.579 -14.313 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.932 -16.128 -3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 102 11.263 -14.948 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.470 -16.544 -2.363 1.00 0.00 H new ATOM 1547 N ALA A 103 9.782 -16.964 0.318 1.00 0.00 N ATOM 1548 CA ALA A 103 9.093 -17.907 1.143 1.00 0.00 C ATOM 1549 C ALA A 103 8.100 -17.172 1.977 1.00 0.00 C ATOM 1550 O ALA A 103 6.930 -17.547 2.032 1.00 0.00 O ATOM 1551 CB ALA A 103 10.073 -18.683 2.038 1.00 0.00 C ATOM 0 H ALA A 103 10.789 -17.003 0.477 1.00 0.00 H new ATOM 0 HA ALA A 103 8.585 -18.634 0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.520 -19.392 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.786 -19.223 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.609 -17.985 2.681 1.00 0.00 H new ATOM 1557 N GLU A 104 8.476 -16.018 2.556 1.00 0.00 N ATOM 1558 CA GLU A 104 7.614 -15.211 3.363 1.00 0.00 C ATOM 1559 C GLU A 104 6.599 -14.540 2.503 1.00 0.00 C ATOM 1560 O GLU A 104 5.413 -14.558 2.829 1.00 0.00 O ATOM 1561 CB GLU A 104 8.279 -14.164 4.273 1.00 0.00 C ATOM 1562 CG GLU A 104 9.241 -14.867 5.232 1.00 0.00 C ATOM 1563 CD GLU A 104 10.412 -14.040 5.744 1.00 0.00 C ATOM 1564 OE1 GLU A 104 11.413 -13.861 5.000 1.00 0.00 O ATOM 1565 OE2 GLU A 104 10.316 -13.449 6.853 1.00 0.00 O ATOM 0 H GLU A 104 9.415 -15.632 2.459 1.00 0.00 H new ATOM 0 HA GLU A 104 7.168 -15.925 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.817 -13.432 3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.520 -13.619 4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.670 -15.219 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.639 -15.749 4.731 1.00 0.00 H new ATOM 1572 N LEU A 105 6.952 -14.009 1.319 1.00 0.00 N ATOM 1573 CA LEU A 105 6.095 -13.303 0.417 1.00 0.00 C ATOM 1574 C LEU A 105 5.125 -14.278 -0.156 1.00 0.00 C ATOM 1575 O LEU A 105 3.977 -13.876 -0.339 1.00 0.00 O ATOM 1576 CB LEU A 105 6.942 -12.545 -0.618 1.00 0.00 C ATOM 1577 CG LEU A 105 6.151 -11.649 -1.587 1.00 0.00 C ATOM 1578 CD1 LEU A 105 6.147 -10.217 -1.026 1.00 0.00 C ATOM 1579 CD2 LEU A 105 6.780 -11.697 -2.989 1.00 0.00 C ATOM 0 H LEU A 105 7.907 -14.079 0.967 1.00 0.00 H new ATOM 0 HA LEU A 105 5.509 -12.534 0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.667 -11.927 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.509 -13.271 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 105 5.124 -12.003 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.591 -9.564 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.675 -10.212 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.172 -9.858 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.211 -11.059 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.810 -11.344 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.766 -12.722 -3.359 1.00 0.00 H new ATOM 1591 N ARG A 106 5.384 -15.541 -0.539 1.00 0.00 N ATOM 1592 CA ARG A 106 4.412 -16.440 -1.081 1.00 0.00 C ATOM 1593 C ARG A 106 3.529 -17.010 -0.025 1.00 0.00 C ATOM 1594 O ARG A 106 2.455 -17.555 -0.272 1.00 0.00 O ATOM 1595 CB ARG A 106 4.964 -17.518 -2.030 1.00 0.00 C ATOM 1596 CG ARG A 106 5.862 -18.493 -1.266 1.00 0.00 C ATOM 1597 CD ARG A 106 6.831 -19.301 -2.132 1.00 0.00 C ATOM 1598 NE ARG A 106 6.005 -20.114 -3.068 1.00 0.00 N ATOM 1599 CZ ARG A 106 6.447 -20.632 -4.252 1.00 0.00 C ATOM 1600 NH1 ARG A 106 7.532 -20.136 -4.915 1.00 0.00 N ATOM 1601 NH2 ARG A 106 5.602 -21.489 -4.895 1.00 0.00 N ATOM 0 H ARG A 106 6.314 -15.955 -0.468 1.00 0.00 H new ATOM 0 HA ARG A 106 3.799 -15.814 -1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.140 -18.060 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.529 -17.048 -2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.439 -17.931 -0.531 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.230 -19.187 -0.712 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.499 -18.639 -2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.457 -19.943 -1.513 1.00 0.00 H new ATOM 0 HE ARG A 106 5.037 -20.298 -2.805 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.049 -19.346 -4.528 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.826 -20.555 -5.797 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.694 -21.712 -4.487 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.878 -21.907 -5.783 1.00 0.00 H new ATOM 1615 N HIS A 107 3.950 -16.931 1.250 1.00 0.00 N ATOM 1616 CA HIS A 107 3.124 -17.343 2.342 1.00 0.00 C ATOM 1617 C HIS A 107 2.138 -16.274 2.667 1.00 0.00 C ATOM 1618 O HIS A 107 0.940 -16.526 2.784 1.00 0.00 O ATOM 1619 CB HIS A 107 3.817 -17.615 3.688 1.00 0.00 C ATOM 1620 CG HIS A 107 2.898 -18.284 4.666 1.00 0.00 C ATOM 1621 ND1 HIS A 107 2.121 -19.382 4.358 1.00 0.00 N ATOM 1622 CD2 HIS A 107 2.694 -18.091 5.997 1.00 0.00 C ATOM 1623 CE1 HIS A 107 1.459 -19.756 5.485 1.00 0.00 C ATOM 1624 NE2 HIS A 107 1.795 -19.001 6.514 1.00 0.00 N ATOM 0 H HIS A 107 4.867 -16.580 1.525 1.00 0.00 H new ATOM 0 HA HIS A 107 2.710 -18.280 1.970 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.693 -18.243 3.525 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.173 -16.675 4.109 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.177 -17.319 6.578 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.748 -20.568 5.532 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.464 -19.074 7.476 1.00 0.00 H new ATOM 1632 N VAL A 108 2.605 -15.031 2.879 1.00 0.00 N ATOM 1633 CA VAL A 108 1.791 -13.860 2.985 1.00 0.00 C ATOM 1634 C VAL A 108 0.824 -13.702 1.862 1.00 0.00 C ATOM 1635 O VAL A 108 -0.366 -13.457 2.056 1.00 0.00 O ATOM 1636 CB VAL A 108 2.593 -12.618 3.236 1.00 0.00 C ATOM 1637 CG1 VAL A 108 1.813 -11.301 3.093 1.00 0.00 C ATOM 1638 CG2 VAL A 108 3.424 -12.655 4.530 1.00 0.00 C ATOM 0 H VAL A 108 3.600 -14.833 2.982 1.00 0.00 H new ATOM 0 HA VAL A 108 1.179 -14.015 3.873 1.00 0.00 H new ATOM 0 HB VAL A 108 3.306 -12.624 2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.478 -10.461 3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.420 -11.219 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.987 -11.288 3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.974 -11.720 4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.760 -12.785 5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.128 -13.486 4.487 1.00 0.00 H new ATOM 1648 N MET A 109 1.320 -13.672 0.612 1.00 0.00 N ATOM 1649 CA MET A 109 0.407 -13.367 -0.445 1.00 0.00 C ATOM 1650 C MET A 109 -0.515 -14.492 -0.769 1.00 0.00 C ATOM 1651 O MET A 109 -1.571 -14.266 -1.358 1.00 0.00 O ATOM 1652 CB MET A 109 1.108 -12.933 -1.743 1.00 0.00 C ATOM 1653 CG MET A 109 2.041 -11.721 -1.694 1.00 0.00 C ATOM 1654 SD MET A 109 1.449 -10.157 -0.981 1.00 0.00 S ATOM 1655 CE MET A 109 2.985 -9.631 -0.166 1.00 0.00 C ATOM 0 H MET A 109 2.288 -13.846 0.342 1.00 0.00 H new ATOM 0 HA MET A 109 -0.173 -12.531 -0.053 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.685 -13.782 -2.109 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.336 -12.729 -2.485 1.00 0.00 H new ATOM 0 HG2 MET A 109 2.930 -12.017 -1.137 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.359 -11.513 -2.716 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.747 -9.146 0.781 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.615 -10.501 0.020 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.516 -8.929 -0.809 1.00 0.00 H new ATOM 1665 N THR A 110 -0.293 -15.676 -0.172 1.00 0.00 N ATOM 1666 CA THR A 110 -1.243 -16.743 -0.149 1.00 0.00 C ATOM 1667 C THR A 110 -2.307 -16.418 0.843 1.00 0.00 C ATOM 1668 O THR A 110 -3.506 -16.478 0.574 1.00 0.00 O ATOM 1669 CB THR A 110 -0.726 -18.108 0.198 1.00 0.00 C ATOM 1670 OG1 THR A 110 0.155 -18.582 -0.810 1.00 0.00 O ATOM 1671 CG2 THR A 110 -1.810 -19.192 0.329 1.00 0.00 C ATOM 0 H THR A 110 0.578 -15.898 0.311 1.00 0.00 H new ATOM 0 HA THR A 110 -1.589 -16.807 -1.181 1.00 0.00 H new ATOM 0 HB THR A 110 -0.242 -17.963 1.164 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.082 -18.469 -0.514 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.344 -20.144 0.581 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.511 -18.912 1.115 1.00 0.00 H new ATOM 0 HG23 THR A 110 -2.344 -19.289 -0.616 1.00 0.00 H new ATOM 1679 N ASN A 111 -1.958 -16.051 2.089 1.00 0.00 N ATOM 1680 CA ASN A 111 -2.816 -15.668 3.167 1.00 0.00 C ATOM 1681 C ASN A 111 -3.674 -14.504 2.810 1.00 0.00 C ATOM 1682 O ASN A 111 -4.676 -14.175 3.444 1.00 0.00 O ATOM 1683 CB ASN A 111 -2.028 -15.530 4.481 1.00 0.00 C ATOM 1684 CG ASN A 111 -1.425 -16.836 4.980 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -1.789 -17.962 4.648 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -0.364 -16.720 5.823 1.00 0.00 N ATOM 0 H ASN A 111 -0.977 -16.020 2.366 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.529 -16.471 3.352 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -1.228 -14.803 4.339 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.689 -15.130 5.249 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.110 -17.556 6.164 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.042 -15.797 6.114 1.00 0.00 H new ATOM 1693 N LEU A 112 -3.222 -13.714 1.820 1.00 0.00 N ATOM 1694 CA LEU A 112 -3.893 -12.500 1.473 1.00 0.00 C ATOM 1695 C LEU A 112 -5.173 -12.751 0.752 1.00 0.00 C ATOM 1696 O LEU A 112 -6.126 -11.992 0.922 1.00 0.00 O ATOM 1697 CB LEU A 112 -2.887 -11.566 0.779 1.00 0.00 C ATOM 1698 CG LEU A 112 -3.287 -10.084 0.877 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -2.807 -9.411 2.174 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -2.737 -9.281 -0.314 1.00 0.00 C ATOM 0 H LEU A 112 -2.393 -13.915 1.261 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.233 -11.972 2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.902 -11.703 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.802 -11.846 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.377 -10.079 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.122 -8.367 2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.239 -9.926 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.720 -9.462 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.035 -8.237 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.649 -9.348 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.136 -9.688 -1.243 1.00 0.00 H new ATOM 1712 N GLY A 113 -5.218 -13.683 -0.216 1.00 0.00 N ATOM 1713 CA GLY A 113 -6.404 -13.960 -0.965 1.00 0.00 C ATOM 1714 C GLY A 113 -6.433 -15.357 -1.484 1.00 0.00 C ATOM 1715 O GLY A 113 -6.964 -16.241 -0.814 1.00 0.00 O ATOM 0 H GLY A 113 -4.417 -14.255 -0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.277 -13.791 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -6.474 -13.263 -1.800 1.00 0.00 H new ATOM 1719 N GLU A 114 -5.877 -15.586 -2.687 1.00 0.00 N ATOM 1720 CA GLU A 114 -6.204 -16.682 -3.546 1.00 0.00 C ATOM 1721 C GLU A 114 -5.091 -17.662 -3.688 1.00 0.00 C ATOM 1722 O GLU A 114 -3.980 -17.249 -3.360 1.00 0.00 O ATOM 1723 CB GLU A 114 -6.756 -16.210 -4.902 1.00 0.00 C ATOM 1724 CG GLU A 114 -5.806 -15.407 -5.792 1.00 0.00 C ATOM 1725 CD GLU A 114 -6.585 -14.795 -6.947 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -7.359 -13.824 -6.728 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -6.454 -15.397 -8.046 1.00 0.00 O ATOM 0 H GLU A 114 -5.162 -14.974 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.011 -17.225 -3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.083 -17.088 -5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.642 -15.602 -4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -5.322 -14.623 -5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -5.016 -16.053 -6.175 1.00 0.00 H new ATOM 1734 N LYS A 115 -5.317 -18.972 -3.895 1.00 0.00 N ATOM 1735 CA LYS A 115 -4.269 -19.943 -3.846 1.00 0.00 C ATOM 1736 C LYS A 115 -3.872 -20.294 -5.238 1.00 0.00 C ATOM 1737 O LYS A 115 -4.694 -20.671 -6.072 1.00 0.00 O ATOM 1738 CB LYS A 115 -4.788 -21.191 -3.111 1.00 0.00 C ATOM 1739 CG LYS A 115 -5.148 -20.911 -1.650 1.00 0.00 C ATOM 1740 CD LYS A 115 -5.188 -22.163 -0.773 1.00 0.00 C ATOM 1741 CE LYS A 115 -5.973 -22.018 0.533 1.00 0.00 C ATOM 1742 NZ LYS A 115 -5.101 -21.309 1.496 1.00 0.00 N ATOM 0 H LYS A 115 -6.237 -19.362 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.402 -19.547 -3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.667 -21.574 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.029 -21.972 -3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -4.423 -20.211 -1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.121 -20.422 -1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.623 -22.979 -1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.165 -22.452 -0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.895 -21.460 0.367 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.258 -22.996 0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -5.604 -21.192 2.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.234 -21.862 1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.852 -20.374 1.115 1.00 0.00 H new ATOM 1756 N LEU A 116 -2.590 -20.026 -5.545 1.00 0.00 N ATOM 1757 CA LEU A 116 -2.113 -20.197 -6.882 1.00 0.00 C ATOM 1758 C LEU A 116 -1.277 -21.430 -6.844 1.00 0.00 C ATOM 1759 O LEU A 116 -0.731 -21.812 -5.810 1.00 0.00 O ATOM 1760 CB LEU A 116 -1.265 -19.046 -7.447 1.00 0.00 C ATOM 1761 CG LEU A 116 -1.968 -17.683 -7.334 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -1.067 -16.566 -7.885 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -3.282 -17.661 -8.132 1.00 0.00 C ATOM 0 H LEU A 116 -1.893 -19.696 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.980 -20.243 -7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.314 -19.005 -6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.037 -19.247 -8.494 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.178 -17.521 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.580 -15.608 -7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.138 -16.534 -7.316 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.843 -16.763 -8.933 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.753 -16.683 -8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -3.072 -17.855 -9.184 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.954 -18.429 -7.748 1.00 0.00 H new ATOM 1775 N THR A 117 -1.083 -22.108 -7.989 1.00 0.00 N ATOM 1776 CA THR A 117 -0.122 -23.111 -8.331 1.00 0.00 C ATOM 1777 C THR A 117 1.257 -22.561 -8.213 1.00 0.00 C ATOM 1778 O THR A 117 1.539 -21.374 -8.367 1.00 0.00 O ATOM 1779 CB THR A 117 -0.302 -23.737 -9.682 1.00 0.00 C ATOM 1780 OG1 THR A 117 -0.411 -22.740 -10.688 1.00 0.00 O ATOM 1781 CG2 THR A 117 -1.505 -24.694 -9.689 1.00 0.00 C ATOM 0 H THR A 117 -1.691 -21.921 -8.786 1.00 0.00 H new ATOM 0 HA THR A 117 -0.287 -23.915 -7.614 1.00 0.00 H new ATOM 0 HB THR A 117 0.583 -24.332 -9.907 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.526 -23.168 -11.562 1.00 0.00 H new ATOM 0 HG21 THR A 117 -1.614 -25.135 -10.680 1.00 0.00 H new ATOM 0 HG22 THR A 117 -1.345 -25.485 -8.956 1.00 0.00 H new ATOM 0 HG23 THR A 117 -2.410 -24.142 -9.436 1.00 0.00 H new ATOM 1789 N ASP A 118 2.181 -23.479 -7.876 1.00 0.00 N ATOM 1790 CA ASP A 118 3.487 -23.126 -7.415 1.00 0.00 C ATOM 1791 C ASP A 118 4.375 -22.556 -8.467 1.00 0.00 C ATOM 1792 O ASP A 118 5.214 -21.703 -8.182 1.00 0.00 O ATOM 1793 CB ASP A 118 4.045 -24.461 -6.892 1.00 0.00 C ATOM 1794 CG ASP A 118 3.237 -24.955 -5.700 1.00 0.00 C ATOM 1795 OD1 ASP A 118 3.282 -24.375 -4.583 1.00 0.00 O ATOM 1796 OD2 ASP A 118 2.320 -25.801 -5.878 1.00 0.00 O ATOM 0 H ASP A 118 2.018 -24.485 -7.925 1.00 0.00 H new ATOM 0 HA ASP A 118 3.438 -22.333 -6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.022 -25.206 -7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.089 -24.336 -6.603 1.00 0.00 H new ATOM 1801 N GLU A 119 4.146 -22.956 -9.731 1.00 0.00 N ATOM 1802 CA GLU A 119 4.803 -22.428 -10.886 1.00 0.00 C ATOM 1803 C GLU A 119 4.239 -21.116 -11.311 1.00 0.00 C ATOM 1804 O GLU A 119 5.012 -20.307 -11.822 1.00 0.00 O ATOM 1805 CB GLU A 119 4.674 -23.450 -12.028 1.00 0.00 C ATOM 1806 CG GLU A 119 5.651 -24.604 -11.795 1.00 0.00 C ATOM 1807 CD GLU A 119 5.238 -25.894 -12.490 1.00 0.00 C ATOM 1808 OE1 GLU A 119 5.612 -26.129 -13.670 1.00 0.00 O ATOM 1809 OE2 GLU A 119 4.565 -26.773 -11.887 1.00 0.00 O ATOM 0 H GLU A 119 3.469 -23.684 -9.958 1.00 0.00 H new ATOM 0 HA GLU A 119 5.850 -22.254 -10.636 1.00 0.00 H new ATOM 0 HB2 GLU A 119 3.653 -23.829 -12.077 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.883 -22.971 -12.984 1.00 0.00 H new ATOM 0 HG2 GLU A 119 6.640 -24.310 -12.148 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.736 -24.788 -10.724 1.00 0.00 H new ATOM 1816 N GLU A 120 2.940 -20.859 -11.071 1.00 0.00 N ATOM 1817 CA GLU A 120 2.316 -19.574 -11.125 1.00 0.00 C ATOM 1818 C GLU A 120 2.923 -18.587 -10.187 1.00 0.00 C ATOM 1819 O GLU A 120 3.065 -17.400 -10.474 1.00 0.00 O ATOM 1820 CB GLU A 120 0.783 -19.599 -11.005 1.00 0.00 C ATOM 1821 CG GLU A 120 -0.022 -18.351 -11.375 1.00 0.00 C ATOM 1822 CD GLU A 120 -0.451 -18.257 -12.832 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -0.847 -19.247 -13.503 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -0.500 -17.085 -13.293 1.00 0.00 O ATOM 0 H GLU A 120 2.284 -21.599 -10.823 1.00 0.00 H new ATOM 0 HA GLU A 120 2.524 -19.230 -12.138 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.420 -20.418 -11.626 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.540 -19.850 -9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.913 -18.316 -10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.573 -17.471 -11.132 1.00 0.00 H new ATOM 1831 N VAL A 121 3.120 -19.072 -8.948 1.00 0.00 N ATOM 1832 CA VAL A 121 3.627 -18.256 -7.889 1.00 0.00 C ATOM 1833 C VAL A 121 5.013 -17.814 -8.211 1.00 0.00 C ATOM 1834 O VAL A 121 5.337 -16.635 -8.078 1.00 0.00 O ATOM 1835 CB VAL A 121 3.652 -18.920 -6.544 1.00 0.00 C ATOM 1836 CG1 VAL A 121 4.381 -18.062 -5.496 1.00 0.00 C ATOM 1837 CG2 VAL A 121 2.260 -19.249 -5.978 1.00 0.00 C ATOM 0 H VAL A 121 2.926 -20.037 -8.679 1.00 0.00 H new ATOM 0 HA VAL A 121 2.934 -17.418 -7.819 1.00 0.00 H new ATOM 0 HB VAL A 121 4.184 -19.854 -6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.377 -18.579 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.410 -17.896 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 121 3.873 -17.103 -5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.367 -19.727 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.685 -18.330 -5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.741 -19.924 -6.658 1.00 0.00 H new ATOM 1847 N ASP A 122 5.909 -18.707 -8.667 1.00 0.00 N ATOM 1848 CA ASP A 122 7.201 -18.300 -9.126 1.00 0.00 C ATOM 1849 C ASP A 122 7.263 -17.227 -10.158 1.00 0.00 C ATOM 1850 O ASP A 122 8.128 -16.355 -10.091 1.00 0.00 O ATOM 1851 CB ASP A 122 7.936 -19.502 -9.744 1.00 0.00 C ATOM 1852 CG ASP A 122 8.367 -20.487 -8.667 1.00 0.00 C ATOM 1853 OD1 ASP A 122 8.419 -20.216 -7.437 1.00 0.00 O ATOM 1854 OD2 ASP A 122 8.685 -21.650 -9.033 1.00 0.00 O ATOM 0 H ASP A 122 5.739 -19.711 -8.718 1.00 0.00 H new ATOM 0 HA ASP A 122 7.651 -17.895 -8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.285 -20.002 -10.461 1.00 0.00 H new ATOM 0 HB3 ASP A 122 8.810 -19.155 -10.296 1.00 0.00 H new ATOM 1859 N GLU A 123 6.286 -17.148 -11.078 1.00 0.00 N ATOM 1860 CA GLU A 123 6.097 -16.086 -12.016 1.00 0.00 C ATOM 1861 C GLU A 123 5.813 -14.771 -11.375 1.00 0.00 C ATOM 1862 O GLU A 123 6.199 -13.728 -11.898 1.00 0.00 O ATOM 1863 CB GLU A 123 4.996 -16.462 -13.022 1.00 0.00 C ATOM 1864 CG GLU A 123 4.678 -15.510 -14.177 1.00 0.00 C ATOM 1865 CD GLU A 123 3.900 -16.188 -15.295 1.00 0.00 C ATOM 1866 OE1 GLU A 123 4.358 -17.282 -15.720 1.00 0.00 O ATOM 1867 OE2 GLU A 123 2.850 -15.644 -15.732 1.00 0.00 O ATOM 0 H GLU A 123 5.579 -17.878 -11.172 1.00 0.00 H new ATOM 0 HA GLU A 123 7.042 -15.958 -12.544 1.00 0.00 H new ATOM 0 HB2 GLU A 123 5.264 -17.425 -13.456 1.00 0.00 H new ATOM 0 HB3 GLU A 123 4.075 -16.612 -12.458 1.00 0.00 H new ATOM 0 HG2 GLU A 123 4.102 -14.665 -13.799 1.00 0.00 H new ATOM 0 HG3 GLU A 123 5.608 -15.108 -14.578 1.00 0.00 H new ATOM 1874 N MET A 124 5.080 -14.724 -10.248 1.00 0.00 N ATOM 1875 CA MET A 124 4.867 -13.501 -9.538 1.00 0.00 C ATOM 1876 C MET A 124 6.097 -12.983 -8.876 1.00 0.00 C ATOM 1877 O MET A 124 6.533 -11.839 -8.997 1.00 0.00 O ATOM 1878 CB MET A 124 3.739 -13.702 -8.511 1.00 0.00 C ATOM 1879 CG MET A 124 3.457 -12.575 -7.515 1.00 0.00 C ATOM 1880 SD MET A 124 4.606 -12.253 -6.143 1.00 0.00 S ATOM 1881 CE MET A 124 4.027 -13.628 -5.107 1.00 0.00 C ATOM 0 H MET A 124 4.633 -15.538 -9.827 1.00 0.00 H new ATOM 0 HA MET A 124 4.581 -12.744 -10.268 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.819 -13.897 -9.062 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.966 -14.602 -7.940 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.372 -11.652 -8.088 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.478 -12.769 -7.077 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.570 -13.625 -4.162 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.960 -13.514 -4.913 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.203 -14.572 -5.623 1.00 0.00 H new ATOM 1891 N ILE A 125 6.864 -13.926 -8.300 1.00 0.00 N ATOM 1892 CA ILE A 125 8.102 -13.590 -7.669 1.00 0.00 C ATOM 1893 C ILE A 125 9.162 -13.148 -8.618 1.00 0.00 C ATOM 1894 O ILE A 125 9.853 -12.145 -8.448 1.00 0.00 O ATOM 1895 CB ILE A 125 8.487 -14.822 -6.905 1.00 0.00 C ATOM 1896 CG1 ILE A 125 7.514 -15.105 -5.748 1.00 0.00 C ATOM 1897 CG2 ILE A 125 9.943 -14.734 -6.416 1.00 0.00 C ATOM 1898 CD1 ILE A 125 7.713 -16.502 -5.162 1.00 0.00 C ATOM 0 H ILE A 125 6.628 -14.918 -8.271 1.00 0.00 H new ATOM 0 HA ILE A 125 7.985 -12.723 -7.019 1.00 0.00 H new ATOM 0 HB ILE A 125 8.417 -15.668 -7.588 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.655 -14.360 -4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.489 -15.004 -6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 125 10.197 -15.640 -5.865 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.609 -14.632 -7.273 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.056 -13.868 -5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 125 7.005 -16.659 -4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.546 -17.249 -5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.730 -16.595 -4.782 1.00 0.00 H new ATOM 1910 N ARG A 126 9.179 -13.786 -9.803 1.00 0.00 N ATOM 1911 CA ARG A 126 9.872 -13.388 -10.989 1.00 0.00 C ATOM 1912 C ARG A 126 9.511 -11.995 -11.376 1.00 0.00 C ATOM 1913 O ARG A 126 10.281 -11.098 -11.713 1.00 0.00 O ATOM 1914 CB ARG A 126 9.785 -14.371 -12.169 1.00 0.00 C ATOM 1915 CG ARG A 126 10.829 -14.179 -13.271 1.00 0.00 C ATOM 1916 CD ARG A 126 10.718 -15.287 -14.320 1.00 0.00 C ATOM 1917 NE ARG A 126 9.519 -14.949 -15.138 1.00 0.00 N ATOM 1918 CZ ARG A 126 8.633 -15.885 -15.588 1.00 0.00 C ATOM 1919 NH1 ARG A 126 8.780 -17.197 -15.243 1.00 0.00 N ATOM 1920 NH2 ARG A 126 7.616 -15.541 -16.432 1.00 0.00 N ATOM 0 H ARG A 126 8.663 -14.655 -9.940 1.00 0.00 H new ATOM 0 HA ARG A 126 10.929 -13.412 -10.723 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.876 -15.385 -11.780 1.00 0.00 H new ATOM 0 HB3 ARG A 126 8.794 -14.288 -12.615 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.690 -13.207 -13.745 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.829 -14.182 -12.836 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.614 -15.332 -14.939 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.608 -16.263 -13.848 1.00 0.00 H new ATOM 0 HE ARG A 126 9.352 -13.971 -15.373 1.00 0.00 H new ATOM 0 HH11 ARG A 126 9.555 -17.483 -14.645 1.00 0.00 H new ATOM 0 HH12 ARG A 126 8.114 -17.891 -15.583 1.00 0.00 H new ATOM 0 HH21 ARG A 126 7.510 -14.573 -16.735 1.00 0.00 H new ATOM 0 HH22 ARG A 126 6.962 -16.252 -16.759 1.00 0.00 H new ATOM 1934 N GLU A 127 8.219 -11.625 -11.426 1.00 0.00 N ATOM 1935 CA GLU A 127 7.885 -10.271 -11.744 1.00 0.00 C ATOM 1936 C GLU A 127 8.215 -9.248 -10.712 1.00 0.00 C ATOM 1937 O GLU A 127 8.750 -8.183 -11.016 1.00 0.00 O ATOM 1938 CB GLU A 127 6.450 -10.177 -12.289 1.00 0.00 C ATOM 1939 CG GLU A 127 6.057 -8.745 -12.659 1.00 0.00 C ATOM 1940 CD GLU A 127 4.720 -8.651 -13.379 1.00 0.00 C ATOM 1941 OE1 GLU A 127 4.501 -9.270 -14.455 1.00 0.00 O ATOM 1942 OE2 GLU A 127 3.992 -7.716 -12.951 1.00 0.00 O ATOM 0 H GLU A 127 7.426 -12.242 -11.252 1.00 0.00 H new ATOM 0 HA GLU A 127 8.568 -9.987 -12.545 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.356 -10.815 -13.168 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.755 -10.560 -11.542 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.016 -8.142 -11.752 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.833 -8.315 -13.292 1.00 0.00 H new ATOM 1949 N ALA A 128 7.996 -9.578 -9.427 1.00 0.00 N ATOM 1950 CA ALA A 128 8.253 -8.777 -8.270 1.00 0.00 C ATOM 1951 C ALA A 128 9.678 -8.477 -7.953 1.00 0.00 C ATOM 1952 O ALA A 128 10.010 -7.354 -7.575 1.00 0.00 O ATOM 1953 CB ALA A 128 7.551 -9.380 -7.042 1.00 0.00 C ATOM 0 H ALA A 128 7.604 -10.486 -9.177 1.00 0.00 H new ATOM 0 HA ALA A 128 7.838 -7.804 -8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 128 7.754 -8.762 -6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 128 6.476 -9.417 -7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 128 7.925 -10.389 -6.868 1.00 0.00 H new ATOM 1959 N ASP A 129 10.600 -9.424 -8.202 1.00 0.00 N ATOM 1960 CA ASP A 129 11.975 -9.345 -7.820 1.00 0.00 C ATOM 1961 C ASP A 129 12.729 -8.753 -8.961 1.00 0.00 C ATOM 1962 O ASP A 129 12.535 -9.211 -10.086 1.00 0.00 O ATOM 1963 CB ASP A 129 12.487 -10.699 -7.301 1.00 0.00 C ATOM 1964 CG ASP A 129 13.692 -10.454 -6.405 1.00 0.00 C ATOM 1965 OD1 ASP A 129 14.702 -9.966 -6.979 1.00 0.00 O ATOM 1966 OD2 ASP A 129 13.574 -10.741 -5.184 1.00 0.00 O ATOM 0 H ASP A 129 10.374 -10.288 -8.695 1.00 0.00 H new ATOM 0 HA ASP A 129 12.126 -8.684 -6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 129 11.702 -11.212 -6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 129 12.762 -11.344 -8.136 1.00 0.00 H new ATOM 1971 N ILE A 130 13.628 -7.781 -8.726 1.00 0.00 N ATOM 1972 CA ILE A 130 14.469 -7.165 -9.704 1.00 0.00 C ATOM 1973 C ILE A 130 15.632 -8.005 -10.107 1.00 0.00 C ATOM 1974 O ILE A 130 15.896 -8.206 -11.291 1.00 0.00 O ATOM 1975 CB ILE A 130 14.912 -5.768 -9.383 1.00 0.00 C ATOM 1976 CG1 ILE A 130 13.769 -4.890 -8.846 1.00 0.00 C ATOM 1977 CG2 ILE A 130 15.430 -5.120 -10.678 1.00 0.00 C ATOM 1978 CD1 ILE A 130 12.507 -4.803 -9.703 1.00 0.00 C ATOM 0 H ILE A 130 13.776 -7.401 -7.791 1.00 0.00 H new ATOM 0 HA ILE A 130 13.803 -7.078 -10.562 1.00 0.00 H new ATOM 0 HB ILE A 130 15.678 -5.835 -8.611 1.00 0.00 H new ATOM 0 HG12 ILE A 130 13.486 -5.264 -7.862 1.00 0.00 H new ATOM 0 HG13 ILE A 130 14.154 -3.880 -8.704 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.758 -4.102 -10.469 1.00 0.00 H new ATOM 0 HG22 ILE A 130 16.268 -5.699 -11.065 1.00 0.00 H new ATOM 0 HG23 ILE A 130 14.631 -5.099 -11.419 1.00 0.00 H new ATOM 0 HD11 ILE A 130 11.779 -4.155 -9.214 1.00 0.00 H new ATOM 0 HD12 ILE A 130 12.759 -4.393 -10.681 1.00 0.00 H new ATOM 0 HD13 ILE A 130 12.081 -5.799 -9.826 1.00 0.00 H new ATOM 1990 N ASP A 131 16.414 -8.471 -9.116 1.00 0.00 N ATOM 1991 CA ASP A 131 17.564 -9.310 -9.248 1.00 0.00 C ATOM 1992 C ASP A 131 17.151 -10.665 -9.710 1.00 0.00 C ATOM 1993 O ASP A 131 17.782 -11.164 -10.641 1.00 0.00 O ATOM 1994 CB ASP A 131 18.135 -9.528 -7.836 1.00 0.00 C ATOM 1995 CG ASP A 131 18.166 -8.315 -6.917 1.00 0.00 C ATOM 1996 OD1 ASP A 131 17.037 -8.032 -6.437 1.00 0.00 O ATOM 1997 OD2 ASP A 131 19.264 -7.746 -6.675 1.00 0.00 O ATOM 0 H ASP A 131 16.224 -8.240 -8.141 1.00 0.00 H new ATOM 0 HA ASP A 131 18.268 -8.850 -9.942 1.00 0.00 H new ATOM 0 HB2 ASP A 131 17.551 -10.309 -7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 131 19.152 -9.906 -7.935 1.00 0.00 H new ATOM 2002 N GLY A 132 16.256 -11.361 -8.986 1.00 0.00 N ATOM 2003 CA GLY A 132 16.032 -12.772 -9.046 1.00 0.00 C ATOM 2004 C GLY A 132 16.959 -13.531 -8.160 1.00 0.00 C ATOM 2005 O GLY A 132 17.273 -14.684 -8.453 1.00 0.00 O ATOM 0 H GLY A 132 15.645 -10.903 -8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 132 15.002 -12.986 -8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 132 16.155 -13.114 -10.074 1.00 0.00 H new ATOM 2009 N ASP A 133 17.401 -12.908 -7.053 1.00 0.00 N ATOM 2010 CA ASP A 133 18.221 -13.440 -6.009 1.00 0.00 C ATOM 2011 C ASP A 133 17.432 -14.346 -5.127 1.00 0.00 C ATOM 2012 O ASP A 133 17.860 -15.480 -4.918 1.00 0.00 O ATOM 2013 CB ASP A 133 18.998 -12.349 -5.254 1.00 0.00 C ATOM 2014 CG ASP A 133 18.088 -11.476 -4.401 1.00 0.00 C ATOM 2015 OD1 ASP A 133 17.169 -10.872 -5.015 1.00 0.00 O ATOM 2016 OD2 ASP A 133 18.542 -11.135 -3.276 1.00 0.00 O ATOM 0 H ASP A 133 17.158 -11.934 -6.874 1.00 0.00 H new ATOM 0 HA ASP A 133 18.996 -14.055 -6.467 1.00 0.00 H new ATOM 0 HB2 ASP A 133 19.750 -12.816 -4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 133 19.530 -11.724 -5.971 1.00 0.00 H new ATOM 2021 N GLY A 134 16.268 -13.993 -4.554 1.00 0.00 N ATOM 2022 CA GLY A 134 15.618 -14.754 -3.532 1.00 0.00 C ATOM 2023 C GLY A 134 14.882 -13.999 -2.479 1.00 0.00 C ATOM 2024 O GLY A 134 14.299 -14.639 -1.605 1.00 0.00 O ATOM 0 H GLY A 134 15.760 -13.147 -4.812 1.00 0.00 H new ATOM 0 HA2 GLY A 134 14.914 -15.433 -4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 134 16.371 -15.371 -3.041 1.00 0.00 H new ATOM 2028 N GLN A 135 15.045 -12.665 -2.439 1.00 0.00 N ATOM 2029 CA GLN A 135 14.427 -11.810 -1.474 1.00 0.00 C ATOM 2030 C GLN A 135 14.099 -10.427 -1.922 1.00 0.00 C ATOM 2031 O GLN A 135 14.795 -9.830 -2.741 1.00 0.00 O ATOM 2032 CB GLN A 135 15.291 -11.764 -0.202 1.00 0.00 C ATOM 2033 CG GLN A 135 16.605 -11.010 -0.415 1.00 0.00 C ATOM 2034 CD GLN A 135 17.287 -10.834 0.934 1.00 0.00 C ATOM 2035 OE1 GLN A 135 17.301 -11.695 1.812 1.00 0.00 O ATOM 2036 NE2 GLN A 135 18.110 -9.765 1.110 1.00 0.00 N ATOM 0 H GLN A 135 15.631 -12.162 -3.105 1.00 0.00 H new ATOM 0 HA GLN A 135 13.453 -12.263 -1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 135 14.727 -11.286 0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 135 15.508 -12.781 0.123 1.00 0.00 H new ATOM 0 HG2 GLN A 135 17.252 -11.562 -1.097 1.00 0.00 H new ATOM 0 HG3 GLN A 135 16.414 -10.039 -0.872 1.00 0.00 H new ATOM 0 HE21 GLN A 135 18.137 -9.022 0.412 1.00 0.00 H new ATOM 0 HE22 GLN A 135 18.700 -9.707 1.940 1.00 0.00 H new ATOM 2045 N VAL A 136 13.044 -9.805 -1.366 1.00 0.00 N ATOM 2046 CA VAL A 136 12.484 -8.549 -1.758 1.00 0.00 C ATOM 2047 C VAL A 136 12.738 -7.600 -0.637 1.00 0.00 C ATOM 2048 O VAL A 136 12.673 -7.943 0.542 1.00 0.00 O ATOM 2049 CB VAL A 136 11.016 -8.734 -2.005 1.00 0.00 C ATOM 2050 CG1 VAL A 136 10.079 -7.592 -1.575 1.00 0.00 C ATOM 2051 CG2 VAL A 136 10.738 -9.086 -3.476 1.00 0.00 C ATOM 0 H VAL A 136 12.543 -10.216 -0.578 1.00 0.00 H new ATOM 0 HA VAL A 136 12.927 -8.161 -2.675 1.00 0.00 H new ATOM 0 HB VAL A 136 10.771 -9.561 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.049 -7.858 -1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 136 10.174 -7.428 -0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 136 10.350 -6.680 -2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 136 9.666 -9.214 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 136 11.099 -8.282 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 136 11.252 -10.012 -3.732 1.00 0.00 H new ATOM 2061 N ASN A 137 13.261 -6.411 -0.984 1.00 0.00 N ATOM 2062 CA ASN A 137 13.344 -5.332 -0.048 1.00 0.00 C ATOM 2063 C ASN A 137 12.273 -4.311 -0.225 1.00 0.00 C ATOM 2064 O ASN A 137 11.366 -4.472 -1.040 1.00 0.00 O ATOM 2065 CB ASN A 137 14.778 -4.797 -0.195 1.00 0.00 C ATOM 2066 CG ASN A 137 15.095 -4.190 -1.554 1.00 0.00 C ATOM 2067 OD1 ASN A 137 14.627 -3.089 -1.842 1.00 0.00 O ATOM 2068 ND2 ASN A 137 15.888 -4.833 -2.452 1.00 0.00 N ATOM 0 H ASN A 137 13.626 -6.196 -1.912 1.00 0.00 H new ATOM 0 HA ASN A 137 13.160 -5.661 0.975 1.00 0.00 H new ATOM 0 HB2 ASN A 137 14.950 -4.043 0.573 1.00 0.00 H new ATOM 0 HB3 ASN A 137 15.476 -5.612 -0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 137 16.090 -4.402 -3.354 1.00 0.00 H new ATOM 0 HD22 ASN A 137 16.281 -5.746 -2.223 1.00 0.00 H new ATOM 2075 N TYR A 138 12.382 -3.240 0.582 1.00 0.00 N ATOM 2076 CA TYR A 138 11.427 -2.178 0.639 1.00 0.00 C ATOM 2077 C TYR A 138 11.244 -1.485 -0.667 1.00 0.00 C ATOM 2078 O TYR A 138 10.151 -1.098 -1.079 1.00 0.00 O ATOM 2079 CB TYR A 138 11.621 -1.138 1.756 1.00 0.00 C ATOM 2080 CG TYR A 138 10.436 -0.242 1.877 1.00 0.00 C ATOM 2081 CD1 TYR A 138 9.115 -0.623 1.855 1.00 0.00 C ATOM 2082 CD2 TYR A 138 10.708 1.099 1.738 1.00 0.00 C ATOM 2083 CE1 TYR A 138 8.121 0.265 1.518 1.00 0.00 C ATOM 2084 CE2 TYR A 138 9.717 2.008 1.453 1.00 0.00 C ATOM 2085 CZ TYR A 138 8.404 1.606 1.398 1.00 0.00 C ATOM 2086 OH TYR A 138 7.496 2.557 0.886 1.00 0.00 O ATOM 0 H TYR A 138 13.167 -3.109 1.220 1.00 0.00 H new ATOM 0 HA TYR A 138 10.516 -2.718 0.897 1.00 0.00 H new ATOM 0 HB2 TYR A 138 11.792 -1.648 2.704 1.00 0.00 H new ATOM 0 HB3 TYR A 138 12.510 -0.542 1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 138 8.853 -1.640 2.107 1.00 0.00 H new ATOM 0 HD2 TYR A 138 11.724 1.446 1.856 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.116 -0.091 1.347 1.00 0.00 H new ATOM 0 HE2 TYR A 138 9.971 3.042 1.272 1.00 0.00 H new ATOM 0 HH TYR A 138 7.912 3.444 0.896 1.00 0.00 H new ATOM 2096 N GLU A 139 12.261 -1.455 -1.547 1.00 0.00 N ATOM 2097 CA GLU A 139 12.204 -0.845 -2.838 1.00 0.00 C ATOM 2098 C GLU A 139 11.613 -1.743 -3.870 1.00 0.00 C ATOM 2099 O GLU A 139 10.877 -1.307 -4.754 1.00 0.00 O ATOM 2100 CB GLU A 139 13.567 -0.340 -3.342 1.00 0.00 C ATOM 2101 CG GLU A 139 13.550 0.433 -4.662 1.00 0.00 C ATOM 2102 CD GLU A 139 14.968 0.850 -5.029 1.00 0.00 C ATOM 2103 OE1 GLU A 139 15.519 1.595 -4.175 1.00 0.00 O ATOM 2104 OE2 GLU A 139 15.423 0.562 -6.167 1.00 0.00 O ATOM 0 H GLU A 139 13.168 -1.877 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 139 11.553 0.017 -2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 139 14.001 0.301 -2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 139 14.231 -1.197 -3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 139 13.126 -0.187 -5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 139 12.913 1.313 -4.571 1.00 0.00 H new ATOM 2111 N GLU A 140 11.894 -3.059 -3.862 1.00 0.00 N ATOM 2112 CA GLU A 140 11.208 -3.977 -4.716 1.00 0.00 C ATOM 2113 C GLU A 140 9.767 -4.099 -4.353 1.00 0.00 C ATOM 2114 O GLU A 140 8.900 -4.337 -5.193 1.00 0.00 O ATOM 2115 CB GLU A 140 11.869 -5.364 -4.647 1.00 0.00 C ATOM 2116 CG GLU A 140 13.373 -5.291 -4.916 1.00 0.00 C ATOM 2117 CD GLU A 140 14.057 -6.646 -4.799 1.00 0.00 C ATOM 2118 OE1 GLU A 140 14.488 -7.082 -3.698 1.00 0.00 O ATOM 2119 OE2 GLU A 140 14.181 -7.382 -5.814 1.00 0.00 O ATOM 0 H GLU A 140 12.599 -3.487 -3.262 1.00 0.00 H new ATOM 0 HA GLU A 140 11.273 -3.586 -5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 140 11.697 -5.800 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 140 11.401 -6.026 -5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.540 -4.889 -5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.831 -4.596 -4.212 1.00 0.00 H new ATOM 2126 N PHE A 141 9.406 -3.900 -3.073 1.00 0.00 N ATOM 2127 CA PHE A 141 8.044 -3.973 -2.644 1.00 0.00 C ATOM 2128 C PHE A 141 7.231 -2.787 -3.035 1.00 0.00 C ATOM 2129 O PHE A 141 6.108 -2.970 -3.502 1.00 0.00 O ATOM 2130 CB PHE A 141 8.064 -4.127 -1.114 1.00 0.00 C ATOM 2131 CG PHE A 141 6.754 -4.329 -0.433 1.00 0.00 C ATOM 2132 CD1 PHE A 141 6.204 -5.587 -0.504 1.00 0.00 C ATOM 2133 CD2 PHE A 141 6.029 -3.208 -0.104 1.00 0.00 C ATOM 2134 CE1 PHE A 141 4.920 -5.738 -0.033 1.00 0.00 C ATOM 2135 CE2 PHE A 141 4.705 -3.387 0.218 1.00 0.00 C ATOM 2136 CZ PHE A 141 4.194 -4.651 0.393 1.00 0.00 C ATOM 0 H PHE A 141 10.067 -3.686 -2.326 1.00 0.00 H new ATOM 0 HA PHE A 141 7.567 -4.821 -3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 141 8.707 -4.972 -0.868 1.00 0.00 H new ATOM 0 HB3 PHE A 141 8.531 -3.238 -0.691 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.756 -6.421 -0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 141 6.481 -2.227 -0.099 1.00 0.00 H new ATOM 0 HE1 PHE A 141 4.477 -6.722 0.002 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.061 -2.528 0.334 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.231 -4.789 0.861 1.00 0.00 H new ATOM 2146 N VAL A 142 7.877 -1.608 -2.993 1.00 0.00 N ATOM 2147 CA VAL A 142 7.417 -0.388 -3.581 1.00 0.00 C ATOM 2148 C VAL A 142 7.133 -0.514 -5.038 1.00 0.00 C ATOM 2149 O VAL A 142 6.031 -0.310 -5.545 1.00 0.00 O ATOM 2150 CB VAL A 142 8.399 0.722 -3.347 1.00 0.00 C ATOM 2151 CG1 VAL A 142 8.207 2.007 -4.170 1.00 0.00 C ATOM 2152 CG2 VAL A 142 8.326 1.219 -1.893 1.00 0.00 C ATOM 0 H VAL A 142 8.774 -1.501 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 142 6.474 -0.151 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 142 9.337 0.247 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 142 8.981 2.727 -3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.277 1.773 -5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.227 2.433 -3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 142 9.047 2.024 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 142 7.322 1.589 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 142 8.557 0.397 -1.215 1.00 0.00 H new ATOM 2162 N GLN A 143 8.082 -1.028 -5.841 1.00 0.00 N ATOM 2163 CA GLN A 143 7.953 -1.395 -7.217 1.00 0.00 C ATOM 2164 C GLN A 143 6.782 -2.281 -7.471 1.00 0.00 C ATOM 2165 O GLN A 143 5.871 -2.030 -8.258 1.00 0.00 O ATOM 2166 CB GLN A 143 9.289 -1.975 -7.710 1.00 0.00 C ATOM 2167 CG GLN A 143 9.368 -2.648 -9.082 1.00 0.00 C ATOM 2168 CD GLN A 143 8.674 -1.947 -10.241 1.00 0.00 C ATOM 2169 OE1 GLN A 143 8.533 -0.725 -10.238 1.00 0.00 O ATOM 2170 NE2 GLN A 143 8.166 -2.703 -11.251 1.00 0.00 N ATOM 0 H GLN A 143 9.025 -1.202 -5.493 1.00 0.00 H new ATOM 0 HA GLN A 143 7.737 -0.503 -7.805 1.00 0.00 H new ATOM 0 HB2 GLN A 143 10.017 -1.164 -7.704 1.00 0.00 H new ATOM 0 HB3 GLN A 143 9.619 -2.705 -6.971 1.00 0.00 H new ATOM 0 HG2 GLN A 143 10.420 -2.767 -9.340 1.00 0.00 H new ATOM 0 HG3 GLN A 143 8.947 -3.649 -8.992 1.00 0.00 H new ATOM 0 HE21 GLN A 143 8.290 -3.715 -11.242 1.00 0.00 H new ATOM 0 HE22 GLN A 143 7.661 -2.258 -12.017 1.00 0.00 H new ATOM 2179 N MET A 144 6.658 -3.386 -6.713 1.00 0.00 N ATOM 2180 CA MET A 144 5.624 -4.373 -6.706 1.00 0.00 C ATOM 2181 C MET A 144 4.278 -3.775 -6.482 1.00 0.00 C ATOM 2182 O MET A 144 3.317 -4.012 -7.211 1.00 0.00 O ATOM 2183 CB MET A 144 5.899 -5.471 -5.665 1.00 0.00 C ATOM 2184 CG MET A 144 4.926 -6.626 -5.417 1.00 0.00 C ATOM 2185 SD MET A 144 5.548 -7.698 -4.087 1.00 0.00 S ATOM 2186 CE MET A 144 4.129 -8.830 -4.039 1.00 0.00 C ATOM 0 H MET A 144 7.374 -3.610 -6.022 1.00 0.00 H new ATOM 0 HA MET A 144 5.626 -4.828 -7.696 1.00 0.00 H new ATOM 0 HB2 MET A 144 6.856 -5.920 -5.930 1.00 0.00 H new ATOM 0 HB3 MET A 144 6.037 -4.967 -4.708 1.00 0.00 H new ATOM 0 HG2 MET A 144 3.945 -6.233 -5.149 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.798 -7.206 -6.331 1.00 0.00 H new ATOM 0 HE1 MET A 144 4.429 -9.770 -3.576 1.00 0.00 H new ATOM 0 HE2 MET A 144 3.324 -8.380 -3.458 1.00 0.00 H new ATOM 0 HE3 MET A 144 3.781 -9.021 -5.054 1.00 0.00 H new ATOM 2196 N MET A 145 4.144 -2.902 -5.467 1.00 0.00 N ATOM 2197 CA MET A 145 2.932 -2.216 -5.144 1.00 0.00 C ATOM 2198 C MET A 145 2.463 -1.263 -6.189 1.00 0.00 C ATOM 2199 O MET A 145 1.261 -1.124 -6.412 1.00 0.00 O ATOM 2200 CB MET A 145 3.014 -1.571 -3.750 1.00 0.00 C ATOM 2201 CG MET A 145 3.181 -2.542 -2.580 1.00 0.00 C ATOM 2202 SD MET A 145 1.879 -3.789 -2.347 1.00 0.00 S ATOM 2203 CE MET A 145 0.711 -2.487 -1.857 1.00 0.00 C ATOM 0 H MET A 145 4.916 -2.664 -4.844 1.00 0.00 H new ATOM 0 HA MET A 145 2.157 -2.982 -5.116 1.00 0.00 H new ATOM 0 HB2 MET A 145 3.851 -0.873 -3.741 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.109 -0.986 -3.587 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.130 -3.063 -2.706 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.257 -1.957 -1.663 1.00 0.00 H new ATOM 0 HE1 MET A 145 0.237 -2.760 -0.914 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.246 -1.545 -1.735 1.00 0.00 H new ATOM 0 HE3 MET A 145 -0.052 -2.374 -2.628 1.00 0.00 H new