USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 873 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 34 GLN :FLIP amide:sc= -0.259 F(o=1.6,f=2.3) USER MOD Set 1.2: A 61 THR OG1 : rot -100:sc= 1.26 USER MOD Set 1.3: A 64 HIS : no HE2:sc= 0.189 K(o=2.3,f=-7.8!) USER MOD Set 1.4: A 104 TYR OH : rot -159:sc= 1.28 USER MOD Set 1.5: A 111 ASN :FLIP amide:sc= -0.198 F(o=1.6,f=2.3) USER MOD Set 2.1: A 66 HIS : no HE2:sc= 0.396 K(o=3.3,f=-3.5) USER MOD Set 2.2: A 95 GLN : amide:sc= 1.69 K(o=3.3,f=-3!) USER MOD Set 2.3: A 98 SER OG : rot -167:sc= 1.2 USER MOD Set 3.1: A 77 SER OG : rot 11:sc= 0.071 USER MOD Set 3.2: A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -118:sc= 0.115 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= 0.76 K(o=0.76,f=-5.4!) USER MOD Single : A 29 SER OG : rot 19:sc= 0.595 USER MOD Single : A 35 SER OG : rot 76:sc= 0.0162 USER MOD Single : A 41 MET CE :methyl -166:sc= 0 (180deg=-0.101) USER MOD Single : A 44 ASN : amide:sc= 0.245 K(o=0.25,f=-2.5!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -150:sc= 0.0557 USER MOD Single : A 71 MET CE :methyl -163:sc= -0.388 (180deg=-1.6) USER MOD Single : A 75 GLN : amide:sc= 1.26 K(o=1.3,f=-0.59) USER MOD Single : A 85 THR OG1 : rot -120:sc= 0.0451 USER MOD Single : A 89 SER OG : rot -114:sc= 1.31 USER MOD Single : A 93 GLN : amide:sc= 1.19 K(o=1.2,f=-0.026) USER MOD Single : A 109 SER OG : rot 92:sc= 0.0858 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 79:sc= 1.04 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.0481 X(o=-0.048,f=-0.048) USER MOD Single : A 119 SER OG : rot 180:sc= 0.00131 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 0.537 19.166 -11.272 1.00 0.00 N ATOM 2 CA MET A 23 -0.419 19.503 -10.211 1.00 0.00 C ATOM 3 C MET A 23 0.333 19.668 -8.900 1.00 0.00 C ATOM 4 O MET A 23 1.286 18.933 -8.637 1.00 0.00 O ATOM 5 CB MET A 23 -1.564 18.483 -10.090 1.00 0.00 C ATOM 6 CG MET A 23 -2.884 19.132 -10.521 1.00 0.00 C ATOM 7 SD MET A 23 -3.285 20.662 -9.630 1.00 0.00 S ATOM 8 CE MET A 23 -4.738 21.208 -10.557 1.00 0.00 C ATOM 0 HA MET A 23 -0.901 20.445 -10.473 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.356 17.613 -10.712 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.641 18.129 -9.062 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.839 19.347 -11.589 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.693 18.416 -10.374 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.110 22.141 -10.134 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.466 21.365 -11.601 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.516 20.447 -10.496 1.00 0.00 H new ATOM 20 N LYS A 24 -0.089 20.625 -8.067 1.00 0.00 N ATOM 21 CA LYS A 24 0.420 20.765 -6.704 1.00 0.00 C ATOM 22 C LYS A 24 0.229 19.453 -5.948 1.00 0.00 C ATOM 23 O LYS A 24 -0.860 18.882 -6.021 1.00 0.00 O ATOM 24 CB LYS A 24 -0.273 21.941 -5.981 1.00 0.00 C ATOM 25 CG LYS A 24 -1.671 21.674 -5.375 1.00 0.00 C ATOM 26 CD LYS A 24 -2.752 21.208 -6.363 1.00 0.00 C ATOM 27 CE LYS A 24 -4.051 20.893 -5.614 1.00 0.00 C ATOM 28 NZ LYS A 24 -5.149 20.500 -6.520 1.00 0.00 N ATOM 0 H LYS A 24 -0.791 21.321 -8.320 1.00 0.00 H new ATOM 0 HA LYS A 24 1.486 20.989 -6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.384 22.279 -5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.363 22.766 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.570 20.920 -4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.017 22.588 -4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.932 21.982 -7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.409 20.323 -6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.869 20.089 -4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.355 21.767 -5.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.927 21.185 -6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.802 20.484 -7.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.492 19.554 -6.259 1.00 0.00 H new ATOM 42 N VAL A 25 1.230 18.961 -5.224 1.00 0.00 N ATOM 43 CA VAL A 25 0.998 17.827 -4.339 1.00 0.00 C ATOM 44 C VAL A 25 2.110 17.773 -3.271 1.00 0.00 C ATOM 45 O VAL A 25 3.276 18.039 -3.594 1.00 0.00 O ATOM 46 CB VAL A 25 0.819 16.561 -5.217 1.00 0.00 C ATOM 47 CG1 VAL A 25 2.142 15.880 -5.576 1.00 0.00 C ATOM 48 CG2 VAL A 25 -0.149 15.557 -4.587 1.00 0.00 C ATOM 0 H VAL A 25 2.185 19.319 -5.231 1.00 0.00 H new ATOM 0 HA VAL A 25 0.078 17.915 -3.760 1.00 0.00 H new ATOM 0 HB VAL A 25 0.383 16.918 -6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.944 15.002 -6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.771 16.577 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.654 15.576 -4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.244 14.687 -5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.232 15.245 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.126 16.024 -4.461 1.00 0.00 H new ATOM 58 N PRO A 26 1.789 17.493 -1.995 1.00 0.00 N ATOM 59 CA PRO A 26 2.758 17.486 -0.901 1.00 0.00 C ATOM 60 C PRO A 26 3.697 16.275 -1.007 1.00 0.00 C ATOM 61 O PRO A 26 3.418 15.350 -1.775 1.00 0.00 O ATOM 62 CB PRO A 26 1.908 17.437 0.376 1.00 0.00 C ATOM 63 CG PRO A 26 0.661 16.687 -0.064 1.00 0.00 C ATOM 64 CD PRO A 26 0.462 17.239 -1.470 1.00 0.00 C ATOM 0 HA PRO A 26 3.408 18.361 -0.917 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.425 16.919 1.184 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.669 18.437 0.739 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.809 15.607 -0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.192 16.892 0.583 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.075 16.526 -2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.130 18.154 -1.449 1.00 0.00 H new ATOM 72 N PRO A 27 4.790 16.231 -0.225 1.00 0.00 N ATOM 73 CA PRO A 27 5.731 15.122 -0.244 1.00 0.00 C ATOM 74 C PRO A 27 5.050 13.815 0.171 1.00 0.00 C ATOM 75 O PRO A 27 4.653 13.683 1.330 1.00 0.00 O ATOM 76 CB PRO A 27 6.859 15.524 0.714 1.00 0.00 C ATOM 77 CG PRO A 27 6.221 16.555 1.640 1.00 0.00 C ATOM 78 CD PRO A 27 5.255 17.261 0.693 1.00 0.00 C ATOM 0 HA PRO A 27 6.123 14.934 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.231 14.665 1.272 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.707 15.945 0.175 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.705 16.088 2.479 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.957 17.240 2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.423 17.705 1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.751 18.070 0.157 1.00 0.00 H new ATOM 86 N HIS A 28 4.925 12.850 -0.747 1.00 0.00 N ATOM 87 CA HIS A 28 4.496 11.478 -0.452 1.00 0.00 C ATOM 88 C HIS A 28 4.827 10.466 -1.558 1.00 0.00 C ATOM 89 O HIS A 28 5.025 9.289 -1.268 1.00 0.00 O ATOM 90 CB HIS A 28 2.989 11.434 -0.193 1.00 0.00 C ATOM 91 CG HIS A 28 2.138 11.734 -1.398 1.00 0.00 C ATOM 92 ND1 HIS A 28 2.195 12.863 -2.188 1.00 0.00 N ATOM 93 CD2 HIS A 28 1.234 10.877 -1.958 1.00 0.00 C ATOM 94 CE1 HIS A 28 1.361 12.677 -3.218 1.00 0.00 C ATOM 95 NE2 HIS A 28 0.716 11.509 -3.090 1.00 0.00 N ATOM 0 H HIS A 28 5.123 13.004 -1.736 1.00 0.00 H new ATOM 0 HA HIS A 28 5.059 11.187 0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.727 10.445 0.184 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.748 12.149 0.593 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.768 13.689 -2.018 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.970 9.895 -1.594 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.227 13.369 -4.036 1.00 0.00 H new ATOM 103 N SER A 29 4.933 10.907 -2.815 1.00 0.00 N ATOM 104 CA SER A 29 5.118 10.076 -4.004 1.00 0.00 C ATOM 105 C SER A 29 4.078 8.949 -4.133 1.00 0.00 C ATOM 106 O SER A 29 4.417 7.778 -4.003 1.00 0.00 O ATOM 107 CB SER A 29 6.583 9.618 -4.138 1.00 0.00 C ATOM 108 OG SER A 29 7.111 9.087 -2.937 1.00 0.00 O ATOM 0 H SER A 29 4.890 11.901 -3.040 1.00 0.00 H new ATOM 0 HA SER A 29 4.917 10.701 -4.874 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.651 8.864 -4.922 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.194 10.463 -4.454 1.00 0.00 H new ATOM 0 HG SER A 29 6.376 8.829 -2.343 1.00 0.00 H new ATOM 114 N ILE A 30 2.829 9.295 -4.476 1.00 0.00 N ATOM 115 CA ILE A 30 1.722 8.354 -4.703 1.00 0.00 C ATOM 116 C ILE A 30 2.147 7.172 -5.566 1.00 0.00 C ATOM 117 O ILE A 30 1.837 6.026 -5.280 1.00 0.00 O ATOM 118 CB ILE A 30 0.505 9.127 -5.299 1.00 0.00 C ATOM 119 CG1 ILE A 30 -0.716 8.758 -4.449 1.00 0.00 C ATOM 120 CG2 ILE A 30 0.226 8.985 -6.808 1.00 0.00 C ATOM 121 CD1 ILE A 30 -2.045 9.373 -4.863 1.00 0.00 C ATOM 0 H ILE A 30 2.552 10.268 -4.607 1.00 0.00 H new ATOM 0 HA ILE A 30 1.420 7.922 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 30 0.758 10.186 -5.245 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.824 7.673 -4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.513 9.047 -3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.649 9.578 -7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.089 9.338 -7.372 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.040 7.938 -7.047 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.829 9.036 -4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.972 10.460 -4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.287 9.065 -5.880 1.00 0.00 H new ATOM 133 N GLU A 31 2.797 7.453 -6.681 1.00 0.00 N ATOM 134 CA GLU A 31 3.195 6.427 -7.627 1.00 0.00 C ATOM 135 C GLU A 31 4.254 5.475 -7.074 1.00 0.00 C ATOM 136 O GLU A 31 4.266 4.299 -7.431 1.00 0.00 O ATOM 137 CB GLU A 31 3.548 7.104 -8.943 1.00 0.00 C ATOM 138 CG GLU A 31 2.208 7.365 -9.654 1.00 0.00 C ATOM 139 CD GLU A 31 2.311 8.388 -10.787 1.00 0.00 C ATOM 140 OE1 GLU A 31 2.595 8.023 -11.954 1.00 0.00 O ATOM 141 OE2 GLU A 31 2.034 9.587 -10.536 1.00 0.00 O ATOM 0 H GLU A 31 3.064 8.398 -6.956 1.00 0.00 H new ATOM 0 HA GLU A 31 2.362 5.750 -7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.087 8.036 -8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.194 6.469 -9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.829 6.425 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.479 7.715 -8.923 1.00 0.00 H new ATOM 148 N ALA A 32 5.131 5.959 -6.197 1.00 0.00 N ATOM 149 CA ALA A 32 6.039 5.111 -5.433 1.00 0.00 C ATOM 150 C ALA A 32 5.243 4.261 -4.440 1.00 0.00 C ATOM 151 O ALA A 32 5.462 3.053 -4.373 1.00 0.00 O ATOM 152 CB ALA A 32 7.094 5.957 -4.721 1.00 0.00 C ATOM 0 H ALA A 32 5.231 6.954 -5.997 1.00 0.00 H new ATOM 0 HA ALA A 32 6.562 4.441 -6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.762 5.306 -4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.670 6.516 -5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.604 6.652 -4.040 1.00 0.00 H new ATOM 158 N GLU A 33 4.290 4.871 -3.720 1.00 0.00 N ATOM 159 CA GLU A 33 3.374 4.168 -2.824 1.00 0.00 C ATOM 160 C GLU A 33 2.702 3.002 -3.582 1.00 0.00 C ATOM 161 O GLU A 33 2.635 1.885 -3.060 1.00 0.00 O ATOM 162 CB GLU A 33 2.325 5.134 -2.203 1.00 0.00 C ATOM 163 CG GLU A 33 2.809 6.231 -1.230 1.00 0.00 C ATOM 164 CD GLU A 33 1.666 7.120 -0.676 1.00 0.00 C ATOM 165 OE1 GLU A 33 0.592 7.241 -1.317 1.00 0.00 O ATOM 166 OE2 GLU A 33 1.819 7.706 0.418 1.00 0.00 O ATOM 0 H GLU A 33 4.136 5.879 -3.747 1.00 0.00 H new ATOM 0 HA GLU A 33 3.945 3.758 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.804 5.627 -3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.588 4.527 -1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.329 5.761 -0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.534 6.864 -1.741 1.00 0.00 H new ATOM 173 N GLN A 34 2.268 3.224 -4.832 1.00 0.00 N ATOM 174 CA GLN A 34 1.686 2.183 -5.678 1.00 0.00 C ATOM 175 C GLN A 34 2.669 1.048 -5.936 1.00 0.00 C ATOM 176 O GLN A 34 2.333 -0.100 -5.657 1.00 0.00 O ATOM 177 CB GLN A 34 1.164 2.720 -7.023 1.00 0.00 C ATOM 178 CG GLN A 34 0.047 3.748 -6.833 1.00 0.00 C ATOM 179 CD GLN A 34 -1.004 3.754 -7.933 1.00 0.00 C ATOM 180 OE1 GLN A 34 -2.201 4.212 -7.611 1.00 0.00 O flip ATOM 181 NE2 GLN A 34 -0.753 3.358 -9.067 1.00 0.00 N flip ATOM 0 H GLN A 34 2.313 4.138 -5.283 1.00 0.00 H new ATOM 0 HA GLN A 34 0.834 1.801 -5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.986 3.175 -7.576 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.795 1.891 -7.626 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.445 3.557 -5.879 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.492 4.741 -6.769 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.179 3.009 -9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.476 3.378 -9.786 1.00 0.00 H new ATOM 190 N SER A 35 3.847 1.342 -6.490 1.00 0.00 N ATOM 191 CA SER A 35 4.797 0.307 -6.885 1.00 0.00 C ATOM 192 C SER A 35 5.275 -0.529 -5.699 1.00 0.00 C ATOM 193 O SER A 35 5.614 -1.697 -5.890 1.00 0.00 O ATOM 194 CB SER A 35 5.997 0.943 -7.578 1.00 0.00 C ATOM 195 OG SER A 35 5.589 1.594 -8.760 1.00 0.00 O ATOM 0 H SER A 35 4.164 2.294 -6.675 1.00 0.00 H new ATOM 0 HA SER A 35 4.278 -0.363 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.477 1.657 -6.908 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.738 0.179 -7.813 1.00 0.00 H new ATOM 0 HG SER A 35 5.145 2.438 -8.532 1.00 0.00 H new ATOM 201 N VAL A 36 5.305 0.029 -4.486 1.00 0.00 N ATOM 202 CA VAL A 36 5.613 -0.743 -3.292 1.00 0.00 C ATOM 203 C VAL A 36 4.481 -1.732 -3.031 1.00 0.00 C ATOM 204 O VAL A 36 4.725 -2.936 -2.988 1.00 0.00 O ATOM 205 CB VAL A 36 5.887 0.202 -2.105 1.00 0.00 C ATOM 206 CG1 VAL A 36 6.062 -0.551 -0.780 1.00 0.00 C ATOM 207 CG2 VAL A 36 7.167 1.011 -2.347 1.00 0.00 C ATOM 0 H VAL A 36 5.118 1.016 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 36 6.524 -1.325 -3.433 1.00 0.00 H new ATOM 0 HB VAL A 36 5.016 0.853 -2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.253 0.163 0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.154 -1.112 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.904 -1.239 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.345 1.673 -1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.011 0.331 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.056 1.605 -3.254 1.00 0.00 H new ATOM 217 N LEU A 37 3.249 -1.250 -2.866 1.00 0.00 N ATOM 218 CA LEU A 37 2.131 -2.107 -2.484 1.00 0.00 C ATOM 219 C LEU A 37 1.847 -3.147 -3.566 1.00 0.00 C ATOM 220 O LEU A 37 1.641 -4.316 -3.255 1.00 0.00 O ATOM 221 CB LEU A 37 0.889 -1.255 -2.188 1.00 0.00 C ATOM 222 CG LEU A 37 1.054 -0.383 -0.928 1.00 0.00 C ATOM 223 CD1 LEU A 37 -0.094 0.624 -0.859 1.00 0.00 C ATOM 224 CD2 LEU A 37 1.089 -1.207 0.364 1.00 0.00 C ATOM 0 H LEU A 37 3.002 -0.268 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 37 2.399 -2.646 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.681 -0.614 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.026 -1.909 -2.062 1.00 0.00 H new ATOM 0 HG LEU A 37 2.014 0.128 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.018 1.243 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.077 1.257 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.043 0.091 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.207 -0.540 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.158 -1.765 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.927 -1.903 0.329 1.00 0.00 H new ATOM 236 N GLY A 38 1.876 -2.754 -4.837 1.00 0.00 N ATOM 237 CA GLY A 38 1.749 -3.681 -5.948 1.00 0.00 C ATOM 238 C GLY A 38 2.957 -4.615 -6.048 1.00 0.00 C ATOM 239 O GLY A 38 2.788 -5.762 -6.462 1.00 0.00 O ATOM 0 H GLY A 38 1.989 -1.781 -5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.841 -4.272 -5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.643 -3.122 -6.878 1.00 0.00 H new ATOM 243 N GLY A 39 4.153 -4.173 -5.634 1.00 0.00 N ATOM 244 CA GLY A 39 5.371 -4.974 -5.601 1.00 0.00 C ATOM 245 C GLY A 39 5.262 -6.104 -4.592 1.00 0.00 C ATOM 246 O GLY A 39 5.669 -7.227 -4.877 1.00 0.00 O ATOM 0 H GLY A 39 4.297 -3.219 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.565 -5.386 -6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.220 -4.339 -5.348 1.00 0.00 H new ATOM 250 N LEU A 40 4.682 -5.830 -3.428 1.00 0.00 N ATOM 251 CA LEU A 40 4.490 -6.828 -2.387 1.00 0.00 C ATOM 252 C LEU A 40 3.549 -7.944 -2.835 1.00 0.00 C ATOM 253 O LEU A 40 3.718 -9.084 -2.407 1.00 0.00 O ATOM 254 CB LEU A 40 3.954 -6.144 -1.128 1.00 0.00 C ATOM 255 CG LEU A 40 5.012 -5.315 -0.383 1.00 0.00 C ATOM 256 CD1 LEU A 40 4.345 -4.589 0.779 1.00 0.00 C ATOM 257 CD2 LEU A 40 6.150 -6.181 0.161 1.00 0.00 C ATOM 0 H LEU A 40 4.331 -4.905 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 40 5.453 -7.292 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.123 -5.495 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.557 -6.902 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 40 5.441 -4.609 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.089 -3.998 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.565 -3.931 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.904 -5.318 1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.872 -5.550 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.747 -6.917 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.643 -6.694 -0.664 1.00 0.00 H new ATOM 269 N MET A 41 2.607 -7.652 -3.736 1.00 0.00 N ATOM 270 CA MET A 41 1.757 -8.681 -4.327 1.00 0.00 C ATOM 271 C MET A 41 2.580 -9.654 -5.190 1.00 0.00 C ATOM 272 O MET A 41 2.150 -10.799 -5.368 1.00 0.00 O ATOM 273 CB MET A 41 0.626 -8.056 -5.159 1.00 0.00 C ATOM 274 CG MET A 41 -0.263 -7.066 -4.399 1.00 0.00 C ATOM 275 SD MET A 41 -1.470 -6.258 -5.485 1.00 0.00 S ATOM 276 CE MET A 41 -1.947 -4.842 -4.469 1.00 0.00 C ATOM 0 H MET A 41 2.416 -6.708 -4.071 1.00 0.00 H new ATOM 0 HA MET A 41 1.309 -9.244 -3.508 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.065 -7.544 -6.015 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.001 -8.856 -5.553 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.788 -7.590 -3.601 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.362 -6.309 -3.925 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.850 -4.389 -4.877 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.137 -5.174 -3.448 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.142 -4.107 -4.468 1.00 0.00 H new ATOM 286 N LEU A 42 3.731 -9.233 -5.741 1.00 0.00 N ATOM 287 CA LEU A 42 4.629 -10.133 -6.470 1.00 0.00 C ATOM 288 C LEU A 42 5.458 -10.983 -5.530 1.00 0.00 C ATOM 289 O LEU A 42 5.743 -12.136 -5.860 1.00 0.00 O ATOM 290 CB LEU A 42 5.630 -9.422 -7.398 1.00 0.00 C ATOM 291 CG LEU A 42 5.035 -8.891 -8.713 1.00 0.00 C ATOM 292 CD1 LEU A 42 5.010 -7.364 -8.677 1.00 0.00 C ATOM 293 CD2 LEU A 42 5.870 -9.361 -9.912 1.00 0.00 C ATOM 0 H LEU A 42 4.059 -8.268 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 42 3.946 -10.734 -7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.076 -8.588 -6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.437 -10.115 -7.636 1.00 0.00 H new ATOM 0 HG LEU A 42 4.021 -9.277 -8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.589 -6.985 -9.608 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.398 -7.030 -7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.025 -6.986 -8.558 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.433 -8.975 -10.833 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.891 -8.992 -9.812 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.880 -10.450 -9.944 1.00 0.00 H new ATOM 305 N ASP A 43 5.921 -10.420 -4.422 1.00 0.00 N ATOM 306 CA ASP A 43 6.911 -11.084 -3.585 1.00 0.00 C ATOM 307 C ASP A 43 6.688 -10.784 -2.114 1.00 0.00 C ATOM 308 O ASP A 43 7.086 -9.744 -1.584 1.00 0.00 O ATOM 309 CB ASP A 43 8.326 -10.766 -4.051 1.00 0.00 C ATOM 310 CG ASP A 43 9.259 -11.873 -3.578 1.00 0.00 C ATOM 311 OD1 ASP A 43 9.532 -11.985 -2.363 1.00 0.00 O ATOM 312 OD2 ASP A 43 9.686 -12.685 -4.435 1.00 0.00 O ATOM 0 H ASP A 43 5.627 -9.505 -4.082 1.00 0.00 H new ATOM 0 HA ASP A 43 6.783 -12.161 -3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.356 -10.686 -5.138 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.648 -9.805 -3.651 1.00 0.00 H new ATOM 317 N ASN A 44 6.015 -11.732 -1.472 1.00 0.00 N ATOM 318 CA ASN A 44 5.533 -11.623 -0.101 1.00 0.00 C ATOM 319 C ASN A 44 6.697 -11.451 0.876 1.00 0.00 C ATOM 320 O ASN A 44 6.511 -10.863 1.940 1.00 0.00 O ATOM 321 CB ASN A 44 4.726 -12.868 0.317 1.00 0.00 C ATOM 322 CG ASN A 44 3.335 -13.002 -0.299 1.00 0.00 C ATOM 323 OD1 ASN A 44 2.329 -12.925 0.404 1.00 0.00 O ATOM 324 ND2 ASN A 44 3.223 -13.286 -1.584 1.00 0.00 N ATOM 0 H ASN A 44 5.783 -12.626 -1.905 1.00 0.00 H new ATOM 0 HA ASN A 44 4.886 -10.746 -0.066 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.304 -13.755 0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.622 -12.862 1.402 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.302 -13.442 -1.994 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.058 -13.350 -2.167 1.00 0.00 H new ATOM 331 N GLU A 45 7.893 -11.967 0.571 1.00 0.00 N ATOM 332 CA GLU A 45 9.043 -11.862 1.470 1.00 0.00 C ATOM 333 C GLU A 45 9.669 -10.470 1.462 1.00 0.00 C ATOM 334 O GLU A 45 10.352 -10.103 2.423 1.00 0.00 O ATOM 335 CB GLU A 45 10.113 -12.895 1.119 1.00 0.00 C ATOM 336 CG GLU A 45 9.737 -14.315 1.547 1.00 0.00 C ATOM 337 CD GLU A 45 11.006 -15.090 1.887 1.00 0.00 C ATOM 338 OE1 GLU A 45 11.701 -15.564 0.959 1.00 0.00 O ATOM 339 OE2 GLU A 45 11.340 -15.165 3.093 1.00 0.00 O ATOM 0 H GLU A 45 8.088 -12.464 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 45 8.660 -12.056 2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.286 -12.880 0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.052 -12.614 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.074 -14.283 2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.194 -14.817 0.746 1.00 0.00 H new ATOM 346 N ARG A 46 9.400 -9.648 0.444 1.00 0.00 N ATOM 347 CA ARG A 46 9.871 -8.265 0.450 1.00 0.00 C ATOM 348 C ARG A 46 9.056 -7.424 1.433 1.00 0.00 C ATOM 349 O ARG A 46 9.409 -6.264 1.643 1.00 0.00 O ATOM 350 CB ARG A 46 9.828 -7.677 -0.966 1.00 0.00 C ATOM 351 CG ARG A 46 10.704 -8.423 -1.989 1.00 0.00 C ATOM 352 CD ARG A 46 12.196 -8.050 -1.986 1.00 0.00 C ATOM 353 NE ARG A 46 12.962 -8.547 -0.823 1.00 0.00 N ATOM 354 CZ ARG A 46 14.112 -9.234 -0.864 1.00 0.00 C ATOM 355 NH1 ARG A 46 14.470 -9.906 -1.952 1.00 0.00 N ATOM 356 NH2 ARG A 46 14.904 -9.217 0.194 1.00 0.00 N ATOM 0 H ARG A 46 8.866 -9.913 -0.383 1.00 0.00 H new ATOM 0 HA ARG A 46 10.908 -8.249 0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.796 -7.681 -1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.146 -6.635 -0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.615 -9.493 -1.804 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.304 -8.238 -2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.654 -8.438 -2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.284 -6.964 -2.023 1.00 0.00 H new ATOM 0 HE ARG A 46 12.578 -8.348 0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.866 -9.905 -2.774 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.349 -10.423 -1.966 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.636 -8.687 1.023 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.783 -9.734 0.181 1.00 0.00 H new ATOM 370 N TRP A 47 8.032 -7.994 2.083 1.00 0.00 N ATOM 371 CA TRP A 47 7.329 -7.379 3.198 1.00 0.00 C ATOM 372 C TRP A 47 8.306 -6.800 4.193 1.00 0.00 C ATOM 373 O TRP A 47 8.143 -5.645 4.569 1.00 0.00 O ATOM 374 CB TRP A 47 6.427 -8.406 3.899 1.00 0.00 C ATOM 375 CG TRP A 47 5.853 -7.892 5.182 1.00 0.00 C ATOM 376 CD1 TRP A 47 6.359 -8.101 6.420 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.805 -6.902 5.340 1.00 0.00 C ATOM 378 NE1 TRP A 47 5.668 -7.333 7.335 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.730 -6.530 6.714 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.977 -6.211 4.433 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.881 -5.505 7.156 1.00 0.00 C ATOM 382 CZ3 TRP A 47 3.120 -5.187 4.868 1.00 0.00 C ATOM 383 CH2 TRP A 47 3.080 -4.824 6.222 1.00 0.00 C ATOM 0 H TRP A 47 7.668 -8.915 1.837 1.00 0.00 H new ATOM 0 HA TRP A 47 6.711 -6.574 2.801 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.614 -8.686 3.229 1.00 0.00 H new ATOM 0 HB3 TRP A 47 7.001 -9.310 4.100 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.177 -8.766 6.655 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.829 -7.355 8.342 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.002 -6.473 3.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.843 -5.241 8.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.488 -4.676 4.156 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.434 -4.022 6.547 1.00 0.00 H new ATOM 394 N ASP A 48 9.272 -7.596 4.642 1.00 0.00 N ATOM 395 CA ASP A 48 10.239 -7.168 5.643 1.00 0.00 C ATOM 396 C ASP A 48 11.164 -6.070 5.135 1.00 0.00 C ATOM 397 O ASP A 48 11.630 -5.247 5.918 1.00 0.00 O ATOM 398 CB ASP A 48 11.066 -8.367 6.114 1.00 0.00 C ATOM 399 CG ASP A 48 10.496 -9.063 7.353 1.00 0.00 C ATOM 400 OD1 ASP A 48 9.847 -8.425 8.220 1.00 0.00 O ATOM 401 OD2 ASP A 48 10.708 -10.288 7.482 1.00 0.00 O ATOM 0 H ASP A 48 9.405 -8.555 4.321 1.00 0.00 H new ATOM 0 HA ASP A 48 9.674 -6.752 6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.135 -9.091 5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 48 12.081 -8.034 6.331 1.00 0.00 H new ATOM 406 N ASP A 49 11.474 -6.063 3.841 1.00 0.00 N ATOM 407 CA ASP A 49 12.403 -5.102 3.236 1.00 0.00 C ATOM 408 C ASP A 49 11.729 -3.753 3.238 1.00 0.00 C ATOM 409 O ASP A 49 12.287 -2.770 3.719 1.00 0.00 O ATOM 410 CB ASP A 49 12.778 -5.453 1.793 1.00 0.00 C ATOM 411 CG ASP A 49 13.773 -6.591 1.745 1.00 0.00 C ATOM 412 OD1 ASP A 49 13.339 -7.751 1.922 1.00 0.00 O ATOM 413 OD2 ASP A 49 14.975 -6.351 1.510 1.00 0.00 O ATOM 0 H ASP A 49 11.086 -6.729 3.173 1.00 0.00 H new ATOM 0 HA ASP A 49 13.324 -5.113 3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.881 -5.728 1.238 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.201 -4.577 1.301 1.00 0.00 H new ATOM 418 N VAL A 50 10.485 -3.746 2.773 1.00 0.00 N ATOM 419 CA VAL A 50 9.608 -2.604 2.782 1.00 0.00 C ATOM 420 C VAL A 50 9.346 -2.228 4.238 1.00 0.00 C ATOM 421 O VAL A 50 9.431 -1.050 4.550 1.00 0.00 O ATOM 422 CB VAL A 50 8.340 -3.009 2.011 1.00 0.00 C ATOM 423 CG1 VAL A 50 7.219 -1.973 2.169 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.655 -3.151 0.511 1.00 0.00 C ATOM 0 H VAL A 50 10.052 -4.574 2.365 1.00 0.00 H new ATOM 0 HA VAL A 50 10.029 -1.723 2.297 1.00 0.00 H new ATOM 0 HB VAL A 50 8.005 -3.959 2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.342 -2.298 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.960 -1.875 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.557 -1.010 1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.750 -3.438 -0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.020 -2.199 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.418 -3.916 0.370 1.00 0.00 H new ATOM 434 N ALA A 51 9.122 -3.173 5.153 1.00 0.00 N ATOM 435 CA ALA A 51 8.903 -2.859 6.563 1.00 0.00 C ATOM 436 C ALA A 51 10.120 -2.238 7.260 1.00 0.00 C ATOM 437 O ALA A 51 9.980 -1.633 8.328 1.00 0.00 O ATOM 438 CB ALA A 51 8.435 -4.105 7.321 1.00 0.00 C ATOM 0 H ALA A 51 9.088 -4.170 4.938 1.00 0.00 H new ATOM 0 HA ALA A 51 8.124 -2.097 6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.276 -3.855 8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.501 -4.465 6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.194 -4.884 7.245 1.00 0.00 H new ATOM 444 N GLU A 52 11.304 -2.379 6.671 1.00 0.00 N ATOM 445 CA GLU A 52 12.545 -1.744 7.049 1.00 0.00 C ATOM 446 C GLU A 52 12.849 -0.473 6.265 1.00 0.00 C ATOM 447 O GLU A 52 13.816 0.224 6.571 1.00 0.00 O ATOM 448 CB GLU A 52 13.683 -2.761 6.938 1.00 0.00 C ATOM 449 CG GLU A 52 13.851 -3.460 8.282 1.00 0.00 C ATOM 450 CD GLU A 52 14.499 -2.502 9.282 1.00 0.00 C ATOM 451 OE1 GLU A 52 15.718 -2.237 9.156 1.00 0.00 O ATOM 452 OE2 GLU A 52 13.788 -1.954 10.161 1.00 0.00 O ATOM 0 H GLU A 52 11.420 -2.986 5.859 1.00 0.00 H new ATOM 0 HA GLU A 52 12.443 -1.415 8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.463 -3.490 6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.609 -2.261 6.654 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.881 -3.790 8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.468 -4.351 8.165 1.00 0.00 H new ATOM 459 N ARG A 53 12.033 -0.133 5.273 1.00 0.00 N ATOM 460 CA ARG A 53 12.079 1.161 4.611 1.00 0.00 C ATOM 461 C ARG A 53 11.001 2.068 5.172 1.00 0.00 C ATOM 462 O ARG A 53 11.251 3.255 5.334 1.00 0.00 O ATOM 463 CB ARG A 53 11.881 1.001 3.096 1.00 0.00 C ATOM 464 CG ARG A 53 13.020 0.295 2.352 1.00 0.00 C ATOM 465 CD ARG A 53 14.332 1.076 2.383 1.00 0.00 C ATOM 466 NE ARG A 53 15.176 0.731 3.539 1.00 0.00 N ATOM 467 CZ ARG A 53 16.363 1.291 3.787 1.00 0.00 C ATOM 468 NH1 ARG A 53 16.801 2.288 3.023 1.00 0.00 N ATOM 469 NH2 ARG A 53 17.104 0.882 4.814 1.00 0.00 N ATOM 0 H ARG A 53 11.315 -0.756 4.904 1.00 0.00 H new ATOM 0 HA ARG A 53 13.058 1.606 4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.959 0.445 2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.743 1.990 2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.179 -0.689 2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.724 0.135 1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.886 0.883 1.464 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.113 2.144 2.405 1.00 0.00 H new ATOM 0 HE ARG A 53 14.834 0.023 4.189 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.230 2.625 2.248 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.707 2.716 3.213 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.767 0.134 5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.009 1.316 4.995 1.00 0.00 H new ATOM 483 N VAL A 54 9.825 1.525 5.470 1.00 0.00 N ATOM 484 CA VAL A 54 8.634 2.276 5.781 1.00 0.00 C ATOM 485 C VAL A 54 7.710 1.477 6.697 1.00 0.00 C ATOM 486 O VAL A 54 7.785 0.249 6.806 1.00 0.00 O ATOM 487 CB VAL A 54 7.898 2.562 4.451 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.548 3.676 3.626 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.725 1.338 3.533 1.00 0.00 C ATOM 0 H VAL A 54 9.680 0.516 5.500 1.00 0.00 H new ATOM 0 HA VAL A 54 8.908 3.199 6.292 1.00 0.00 H new ATOM 0 HB VAL A 54 6.913 2.877 4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.982 3.825 2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.553 4.601 4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.572 3.396 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.199 1.635 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.705 0.939 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.149 0.572 4.052 1.00 0.00 H new ATOM 499 N VAL A 55 6.763 2.182 7.296 1.00 0.00 N ATOM 500 CA VAL A 55 5.632 1.625 8.015 1.00 0.00 C ATOM 501 C VAL A 55 4.370 2.213 7.384 1.00 0.00 C ATOM 502 O VAL A 55 4.457 3.141 6.575 1.00 0.00 O ATOM 503 CB VAL A 55 5.784 1.878 9.527 1.00 0.00 C ATOM 504 CG1 VAL A 55 6.889 0.978 10.102 1.00 0.00 C ATOM 505 CG2 VAL A 55 6.131 3.335 9.844 1.00 0.00 C ATOM 0 H VAL A 55 6.763 3.202 7.293 1.00 0.00 H new ATOM 0 HA VAL A 55 5.571 0.540 7.930 1.00 0.00 H new ATOM 0 HB VAL A 55 4.821 1.648 9.982 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.990 1.164 11.171 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.629 -0.068 9.938 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.834 1.199 9.605 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.227 3.460 10.923 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.073 3.598 9.363 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.340 3.987 9.472 1.00 0.00 H new ATOM 515 N ALA A 56 3.183 1.700 7.732 1.00 0.00 N ATOM 516 CA ALA A 56 1.953 2.225 7.142 1.00 0.00 C ATOM 517 C ALA A 56 1.816 3.712 7.450 1.00 0.00 C ATOM 518 O ALA A 56 1.303 4.463 6.631 1.00 0.00 O ATOM 519 CB ALA A 56 0.722 1.476 7.662 1.00 0.00 C ATOM 0 H ALA A 56 3.052 0.942 8.402 1.00 0.00 H new ATOM 0 HA ALA A 56 2.012 2.080 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.176 1.890 7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.805 0.419 7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.661 1.585 8.745 1.00 0.00 H new ATOM 525 N ASP A 57 2.315 4.146 8.608 1.00 0.00 N ATOM 526 CA ASP A 57 2.306 5.538 9.027 1.00 0.00 C ATOM 527 C ASP A 57 2.980 6.472 8.019 1.00 0.00 C ATOM 528 O ASP A 57 2.654 7.660 7.991 1.00 0.00 O ATOM 529 CB ASP A 57 2.997 5.684 10.396 1.00 0.00 C ATOM 530 CG ASP A 57 2.052 5.481 11.570 1.00 0.00 C ATOM 531 OD1 ASP A 57 1.175 6.353 11.768 1.00 0.00 O ATOM 532 OD2 ASP A 57 2.185 4.453 12.277 1.00 0.00 O ATOM 0 H ASP A 57 2.745 3.522 9.291 1.00 0.00 H new ATOM 0 HA ASP A 57 1.259 5.833 9.095 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.810 4.962 10.464 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.445 6.675 10.466 1.00 0.00 H new ATOM 537 N ASP A 58 3.912 5.983 7.202 1.00 0.00 N ATOM 538 CA ASP A 58 4.664 6.778 6.238 1.00 0.00 C ATOM 539 C ASP A 58 3.869 7.016 4.952 1.00 0.00 C ATOM 540 O ASP A 58 4.185 7.952 4.212 1.00 0.00 O ATOM 541 CB ASP A 58 5.985 6.077 5.894 1.00 0.00 C ATOM 542 CG ASP A 58 7.002 6.150 7.029 1.00 0.00 C ATOM 543 OD1 ASP A 58 7.317 7.274 7.485 1.00 0.00 O ATOM 544 OD2 ASP A 58 7.462 5.083 7.489 1.00 0.00 O ATOM 0 H ASP A 58 4.170 4.996 7.194 1.00 0.00 H new ATOM 0 HA ASP A 58 4.863 7.745 6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.786 5.032 5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.411 6.532 5.000 1.00 0.00 H new ATOM 549 N PHE A 59 2.833 6.218 4.681 1.00 0.00 N ATOM 550 CA PHE A 59 1.999 6.355 3.492 1.00 0.00 C ATOM 551 C PHE A 59 0.998 7.465 3.754 1.00 0.00 C ATOM 552 O PHE A 59 0.219 7.406 4.708 1.00 0.00 O ATOM 553 CB PHE A 59 1.310 5.032 3.141 1.00 0.00 C ATOM 554 CG PHE A 59 2.221 4.095 2.380 1.00 0.00 C ATOM 555 CD1 PHE A 59 3.412 3.633 2.962 1.00 0.00 C ATOM 556 CD2 PHE A 59 1.920 3.734 1.057 1.00 0.00 C ATOM 557 CE1 PHE A 59 4.317 2.872 2.210 1.00 0.00 C ATOM 558 CE2 PHE A 59 2.767 2.868 0.346 1.00 0.00 C ATOM 559 CZ PHE A 59 3.984 2.456 0.911 1.00 0.00 C ATOM 0 H PHE A 59 2.549 5.451 5.290 1.00 0.00 H new ATOM 0 HA PHE A 59 2.611 6.612 2.628 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.975 4.545 4.057 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.421 5.235 2.544 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.632 3.865 3.994 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.032 4.125 0.583 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.275 2.604 2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.482 2.519 -0.636 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.658 1.825 0.352 1.00 0.00 H new ATOM 569 N TYR A 60 1.053 8.516 2.947 1.00 0.00 N ATOM 570 CA TYR A 60 0.260 9.712 3.138 1.00 0.00 C ATOM 571 C TYR A 60 -1.201 9.473 2.768 1.00 0.00 C ATOM 572 O TYR A 60 -2.098 9.971 3.451 1.00 0.00 O ATOM 573 CB TYR A 60 0.840 10.823 2.262 1.00 0.00 C ATOM 574 CG TYR A 60 0.121 12.146 2.405 1.00 0.00 C ATOM 575 CD1 TYR A 60 0.425 12.984 3.492 1.00 0.00 C ATOM 576 CD2 TYR A 60 -0.898 12.501 1.501 1.00 0.00 C ATOM 577 CE1 TYR A 60 -0.298 14.172 3.693 1.00 0.00 C ATOM 578 CE2 TYR A 60 -1.642 13.674 1.710 1.00 0.00 C ATOM 579 CZ TYR A 60 -1.349 14.511 2.810 1.00 0.00 C ATOM 580 OH TYR A 60 -2.087 15.638 3.006 1.00 0.00 O ATOM 0 H TYR A 60 1.661 8.557 2.129 1.00 0.00 H new ATOM 0 HA TYR A 60 0.294 9.996 4.190 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.891 10.961 2.514 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.801 10.509 1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.217 12.714 4.175 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.107 11.872 0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.052 14.823 4.519 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.439 13.936 1.029 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.765 15.712 2.302 1.00 0.00 H new ATOM 590 N THR A 61 -1.457 8.785 1.656 1.00 0.00 N ATOM 591 CA THR A 61 -2.799 8.715 1.105 1.00 0.00 C ATOM 592 C THR A 61 -3.612 7.649 1.825 1.00 0.00 C ATOM 593 O THR A 61 -3.185 6.498 1.914 1.00 0.00 O ATOM 594 CB THR A 61 -2.733 8.491 -0.410 1.00 0.00 C ATOM 595 OG1 THR A 61 -2.063 7.304 -0.764 1.00 0.00 O ATOM 596 CG2 THR A 61 -2.028 9.663 -1.078 1.00 0.00 C ATOM 0 H THR A 61 -0.753 8.272 1.125 1.00 0.00 H new ATOM 0 HA THR A 61 -3.313 9.663 1.266 1.00 0.00 H new ATOM 0 HB THR A 61 -3.764 8.407 -0.753 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.144 7.514 -1.031 1.00 0.00 H new ATOM 0 HG21 THR A 61 -1.985 9.496 -2.154 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.578 10.582 -0.875 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.016 9.751 -0.684 1.00 0.00 H new ATOM 604 N ARG A 62 -4.808 8.005 2.306 1.00 0.00 N ATOM 605 CA ARG A 62 -5.732 7.081 2.965 1.00 0.00 C ATOM 606 C ARG A 62 -5.854 5.730 2.252 1.00 0.00 C ATOM 607 O ARG A 62 -5.721 4.731 2.950 1.00 0.00 O ATOM 608 CB ARG A 62 -7.114 7.723 3.165 1.00 0.00 C ATOM 609 CG ARG A 62 -7.665 7.515 4.577 1.00 0.00 C ATOM 610 CD ARG A 62 -9.021 8.219 4.687 1.00 0.00 C ATOM 611 NE ARG A 62 -9.455 8.353 6.085 1.00 0.00 N ATOM 612 CZ ARG A 62 -9.359 9.454 6.843 1.00 0.00 C ATOM 613 NH1 ARG A 62 -8.717 10.537 6.425 1.00 0.00 N ATOM 614 NH2 ARG A 62 -9.916 9.487 8.043 1.00 0.00 N ATOM 0 H ARG A 62 -5.165 8.959 2.246 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.299 6.872 3.943 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.046 8.791 2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.813 7.303 2.442 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.774 6.451 4.786 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.971 7.916 5.316 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.956 9.207 4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.769 7.658 4.127 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.869 7.529 6.520 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.279 10.547 5.504 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.661 11.360 7.025 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.420 8.673 8.394 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.841 10.327 8.617 1.00 0.00 H new ATOM 628 N PRO A 63 -6.078 5.641 0.925 1.00 0.00 N ATOM 629 CA PRO A 63 -6.222 4.349 0.267 1.00 0.00 C ATOM 630 C PRO A 63 -4.951 3.516 0.369 1.00 0.00 C ATOM 631 O PRO A 63 -5.026 2.346 0.729 1.00 0.00 O ATOM 632 CB PRO A 63 -6.592 4.651 -1.187 1.00 0.00 C ATOM 633 CG PRO A 63 -6.097 6.075 -1.406 1.00 0.00 C ATOM 634 CD PRO A 63 -6.312 6.710 -0.040 1.00 0.00 C ATOM 0 HA PRO A 63 -6.994 3.749 0.749 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.114 3.952 -1.874 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.667 4.573 -1.350 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.049 6.099 -1.705 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.662 6.586 -2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.625 7.541 0.120 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.322 7.109 0.053 1.00 0.00 H new ATOM 642 N HIS A 64 -3.779 4.077 0.070 1.00 0.00 N ATOM 643 CA HIS A 64 -2.558 3.297 0.167 1.00 0.00 C ATOM 644 C HIS A 64 -2.259 2.944 1.635 1.00 0.00 C ATOM 645 O HIS A 64 -1.811 1.834 1.911 1.00 0.00 O ATOM 646 CB HIS A 64 -1.410 4.037 -0.518 1.00 0.00 C ATOM 647 CG HIS A 64 -1.589 4.366 -1.984 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.854 5.306 -2.659 1.00 0.00 N ATOM 649 CD2 HIS A 64 -2.369 3.719 -2.903 1.00 0.00 C ATOM 650 CE1 HIS A 64 -1.143 5.212 -3.971 1.00 0.00 C ATOM 651 NE2 HIS A 64 -2.107 4.284 -4.160 1.00 0.00 N ATOM 0 H HIS A 64 -3.655 5.043 -0.233 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.683 2.350 -0.358 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.237 4.969 0.021 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.507 3.435 -0.413 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -0.199 5.965 -2.239 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.062 2.917 -2.698 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.675 5.791 -4.754 1.00 0.00 H new ATOM 659 N ARG A 65 -2.575 3.824 2.593 1.00 0.00 N ATOM 660 CA ARG A 65 -2.417 3.586 4.031 1.00 0.00 C ATOM 661 C ARG A 65 -3.294 2.421 4.478 1.00 0.00 C ATOM 662 O ARG A 65 -2.823 1.539 5.191 1.00 0.00 O ATOM 663 CB ARG A 65 -2.735 4.882 4.809 1.00 0.00 C ATOM 664 CG ARG A 65 -1.726 5.197 5.915 1.00 0.00 C ATOM 665 CD ARG A 65 -1.901 4.415 7.220 1.00 0.00 C ATOM 666 NE ARG A 65 -3.125 4.851 7.904 1.00 0.00 N ATOM 667 CZ ARG A 65 -4.261 4.167 8.092 1.00 0.00 C ATOM 668 NH1 ARG A 65 -4.361 2.869 7.809 1.00 0.00 N ATOM 669 NH2 ARG A 65 -5.317 4.818 8.566 1.00 0.00 N ATOM 0 H ARG A 65 -2.958 4.746 2.383 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.384 3.310 4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.767 5.717 4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.729 4.797 5.249 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.724 5.007 5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.784 6.262 6.141 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.952 3.347 7.010 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.037 4.571 7.866 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.108 5.797 8.285 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.556 2.365 7.437 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.242 2.379 7.965 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.250 5.814 8.777 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.195 4.322 8.719 1.00 0.00 H new ATOM 683 N HIS A 66 -4.559 2.402 4.057 1.00 0.00 N ATOM 684 CA HIS A 66 -5.485 1.302 4.220 1.00 0.00 C ATOM 685 C HIS A 66 -4.905 0.000 3.684 1.00 0.00 C ATOM 686 O HIS A 66 -4.898 -0.996 4.404 1.00 0.00 O ATOM 687 CB HIS A 66 -6.787 1.640 3.474 1.00 0.00 C ATOM 688 CG HIS A 66 -7.755 2.468 4.258 1.00 0.00 C ATOM 689 ND1 HIS A 66 -8.410 3.623 3.895 1.00 0.00 N ATOM 690 CD2 HIS A 66 -8.269 2.051 5.437 1.00 0.00 C ATOM 691 CE1 HIS A 66 -9.273 3.917 4.881 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.194 3.006 5.870 1.00 0.00 N ATOM 0 H HIS A 66 -4.977 3.195 3.571 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.680 1.162 5.283 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.537 2.170 2.555 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.276 0.710 3.183 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -8.267 4.156 3.037 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.010 1.139 5.954 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.939 4.767 4.881 1.00 0.00 H new ATOM 700 N ILE A 67 -4.454 -0.007 2.431 1.00 0.00 N ATOM 701 CA ILE A 67 -3.948 -1.200 1.763 1.00 0.00 C ATOM 702 C ILE A 67 -2.716 -1.718 2.521 1.00 0.00 C ATOM 703 O ILE A 67 -2.645 -2.913 2.803 1.00 0.00 O ATOM 704 CB ILE A 67 -3.708 -0.868 0.271 1.00 0.00 C ATOM 705 CG1 ILE A 67 -5.057 -0.570 -0.433 1.00 0.00 C ATOM 706 CG2 ILE A 67 -3.016 -2.010 -0.488 1.00 0.00 C ATOM 707 CD1 ILE A 67 -4.895 0.204 -1.744 1.00 0.00 C ATOM 0 H ILE A 67 -4.430 0.828 1.845 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.666 -2.020 1.778 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.054 0.004 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.570 -1.511 -0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.694 0.001 0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.873 -1.721 -1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.047 -2.215 -0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.636 -2.906 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.876 0.380 -2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.410 1.160 -1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.284 -0.376 -2.436 1.00 0.00 H new ATOM 719 N PHE A 68 -1.792 -0.838 2.922 1.00 0.00 N ATOM 720 CA PHE A 68 -0.629 -1.190 3.732 1.00 0.00 C ATOM 721 C PHE A 68 -1.076 -1.832 5.045 1.00 0.00 C ATOM 722 O PHE A 68 -0.579 -2.897 5.411 1.00 0.00 O ATOM 723 CB PHE A 68 0.229 0.061 3.987 1.00 0.00 C ATOM 724 CG PHE A 68 1.667 -0.193 4.421 1.00 0.00 C ATOM 725 CD1 PHE A 68 1.974 -0.918 5.590 1.00 0.00 C ATOM 726 CD2 PHE A 68 2.719 0.352 3.664 1.00 0.00 C ATOM 727 CE1 PHE A 68 3.306 -1.067 6.010 1.00 0.00 C ATOM 728 CE2 PHE A 68 4.051 0.202 4.085 1.00 0.00 C ATOM 729 CZ PHE A 68 4.348 -0.491 5.265 1.00 0.00 C ATOM 0 H PHE A 68 -1.835 0.154 2.687 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.021 -1.917 3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.246 0.658 3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.260 0.663 4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.178 -1.363 6.168 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.502 0.890 2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.529 -1.625 6.907 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.851 0.624 3.495 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.371 -0.582 5.600 1.00 0.00 H new ATOM 739 N THR A 69 -2.002 -1.205 5.775 1.00 0.00 N ATOM 740 CA THR A 69 -2.493 -1.762 7.025 1.00 0.00 C ATOM 741 C THR A 69 -3.173 -3.109 6.787 1.00 0.00 C ATOM 742 O THR A 69 -3.006 -4.005 7.611 1.00 0.00 O ATOM 743 CB THR A 69 -3.388 -0.720 7.719 1.00 0.00 C ATOM 744 OG1 THR A 69 -2.593 0.405 8.057 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.024 -1.232 9.013 1.00 0.00 C ATOM 0 H THR A 69 -2.423 -0.312 5.517 1.00 0.00 H new ATOM 0 HA THR A 69 -1.666 -1.976 7.702 1.00 0.00 H new ATOM 0 HB THR A 69 -4.189 -0.479 7.021 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.957 0.833 8.860 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.642 -0.447 9.450 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.643 -2.102 8.795 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.241 -1.512 9.717 1.00 0.00 H new ATOM 753 N GLU A 70 -3.874 -3.304 5.669 1.00 0.00 N ATOM 754 CA GLU A 70 -4.493 -4.586 5.380 1.00 0.00 C ATOM 755 C GLU A 70 -3.422 -5.653 5.146 1.00 0.00 C ATOM 756 O GLU A 70 -3.555 -6.755 5.671 1.00 0.00 O ATOM 757 CB GLU A 70 -5.464 -4.477 4.195 1.00 0.00 C ATOM 758 CG GLU A 70 -6.513 -5.597 4.287 1.00 0.00 C ATOM 759 CD GLU A 70 -7.477 -5.373 5.459 1.00 0.00 C ATOM 760 OE1 GLU A 70 -7.933 -4.226 5.664 1.00 0.00 O ATOM 761 OE2 GLU A 70 -7.722 -6.341 6.219 1.00 0.00 O ATOM 0 H GLU A 70 -4.023 -2.590 4.956 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.082 -4.891 6.245 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.954 -3.504 4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.917 -4.553 3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.077 -5.645 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.011 -6.557 4.406 1.00 0.00 H new ATOM 768 N MET A 71 -2.334 -5.328 4.438 1.00 0.00 N ATOM 769 CA MET A 71 -1.191 -6.224 4.287 1.00 0.00 C ATOM 770 C MET A 71 -0.616 -6.580 5.662 1.00 0.00 C ATOM 771 O MET A 71 -0.459 -7.759 5.976 1.00 0.00 O ATOM 772 CB MET A 71 -0.113 -5.610 3.378 1.00 0.00 C ATOM 773 CG MET A 71 -0.532 -5.550 1.908 1.00 0.00 C ATOM 774 SD MET A 71 0.840 -5.197 0.782 1.00 0.00 S ATOM 775 CE MET A 71 0.132 -5.796 -0.773 1.00 0.00 C ATOM 0 H MET A 71 -2.225 -4.436 3.955 1.00 0.00 H new ATOM 0 HA MET A 71 -1.535 -7.140 3.806 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.117 -4.603 3.726 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.803 -6.194 3.465 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.986 -6.501 1.628 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.297 -4.783 1.787 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.928 -5.937 -1.504 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.375 -6.745 -0.600 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.584 -5.066 -1.152 1.00 0.00 H new ATOM 785 N ALA A 72 -0.359 -5.576 6.509 1.00 0.00 N ATOM 786 CA ALA A 72 0.152 -5.777 7.862 1.00 0.00 C ATOM 787 C ALA A 72 -0.779 -6.668 8.690 1.00 0.00 C ATOM 788 O ALA A 72 -0.319 -7.418 9.550 1.00 0.00 O ATOM 789 CB ALA A 72 0.295 -4.426 8.574 1.00 0.00 C ATOM 0 H ALA A 72 -0.502 -4.595 6.269 1.00 0.00 H new ATOM 0 HA ALA A 72 1.122 -6.267 7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.677 -4.585 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.988 -3.794 8.019 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.678 -3.938 8.627 1.00 0.00 H new ATOM 795 N ARG A 73 -2.097 -6.511 8.535 1.00 0.00 N ATOM 796 CA ARG A 73 -3.085 -7.290 9.281 1.00 0.00 C ATOM 797 C ARG A 73 -3.203 -8.703 8.728 1.00 0.00 C ATOM 798 O ARG A 73 -3.392 -9.620 9.522 1.00 0.00 O ATOM 799 CB ARG A 73 -4.446 -6.570 9.311 1.00 0.00 C ATOM 800 CG ARG A 73 -4.710 -5.715 10.561 1.00 0.00 C ATOM 801 CD ARG A 73 -3.816 -4.479 10.751 1.00 0.00 C ATOM 802 NE ARG A 73 -2.415 -4.823 11.044 1.00 0.00 N ATOM 803 CZ ARG A 73 -1.982 -5.418 12.160 1.00 0.00 C ATOM 804 NH1 ARG A 73 -2.725 -5.417 13.258 1.00 0.00 N ATOM 805 NH2 ARG A 73 -0.821 -6.065 12.161 1.00 0.00 N ATOM 0 H ARG A 73 -2.508 -5.839 7.887 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.740 -7.377 10.311 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.519 -5.930 8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.235 -7.317 9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.748 -5.384 10.534 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.601 -6.352 11.439 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.853 -3.868 9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.213 -3.872 11.564 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.718 -4.588 10.338 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.637 -4.959 13.257 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.385 -5.874 14.104 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.260 -6.108 11.310 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.491 -6.519 13.013 1.00 0.00 H new ATOM 819 N LEU A 74 -3.103 -8.919 7.417 1.00 0.00 N ATOM 820 CA LEU A 74 -3.111 -10.247 6.835 1.00 0.00 C ATOM 821 C LEU A 74 -1.877 -11.020 7.264 1.00 0.00 C ATOM 822 O LEU A 74 -1.973 -12.177 7.653 1.00 0.00 O ATOM 823 CB LEU A 74 -3.194 -10.136 5.311 1.00 0.00 C ATOM 824 CG LEU A 74 -4.633 -9.936 4.805 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.602 -9.743 3.293 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.565 -11.116 5.126 1.00 0.00 C ATOM 0 H LEU A 74 -3.014 -8.169 6.731 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.984 -10.794 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.577 -9.301 4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.778 -11.038 4.862 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.030 -9.061 5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.617 -9.600 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.001 -8.867 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.165 -10.624 2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.563 -10.907 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.178 -12.022 4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.615 -11.256 6.206 1.00 0.00 H new ATOM 838 N GLN A 75 -0.714 -10.380 7.253 1.00 0.00 N ATOM 839 CA GLN A 75 0.516 -10.973 7.753 1.00 0.00 C ATOM 840 C GLN A 75 0.351 -11.411 9.202 1.00 0.00 C ATOM 841 O GLN A 75 0.763 -12.512 9.569 1.00 0.00 O ATOM 842 CB GLN A 75 1.604 -9.890 7.621 1.00 0.00 C ATOM 843 CG GLN A 75 3.038 -10.302 7.961 1.00 0.00 C ATOM 844 CD GLN A 75 3.652 -11.231 6.923 1.00 0.00 C ATOM 845 OE1 GLN A 75 3.247 -12.383 6.804 1.00 0.00 O ATOM 846 NE2 GLN A 75 4.621 -10.764 6.158 1.00 0.00 N ATOM 0 H GLN A 75 -0.599 -9.432 6.895 1.00 0.00 H new ATOM 0 HA GLN A 75 0.785 -11.865 7.187 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.592 -9.520 6.596 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.330 -9.054 8.265 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.655 -9.408 8.051 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.048 -10.795 8.933 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.943 -9.803 6.273 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.047 -11.364 5.452 1.00 0.00 H new ATOM 855 N GLU A 76 -0.285 -10.563 10.003 1.00 0.00 N ATOM 856 CA GLU A 76 -0.600 -10.851 11.395 1.00 0.00 C ATOM 857 C GLU A 76 -1.562 -12.034 11.549 1.00 0.00 C ATOM 858 O GLU A 76 -1.377 -12.838 12.464 1.00 0.00 O ATOM 859 CB GLU A 76 -1.112 -9.579 12.071 1.00 0.00 C ATOM 860 CG GLU A 76 -1.322 -9.747 13.576 1.00 0.00 C ATOM 861 CD GLU A 76 -1.632 -8.391 14.194 1.00 0.00 C ATOM 862 OE1 GLU A 76 -0.665 -7.651 14.498 1.00 0.00 O ATOM 863 OE2 GLU A 76 -2.814 -7.999 14.309 1.00 0.00 O ATOM 0 H GLU A 76 -0.600 -9.642 9.697 1.00 0.00 H new ATOM 0 HA GLU A 76 0.313 -11.166 11.901 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.402 -8.770 11.897 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.054 -9.282 11.609 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.140 -10.442 13.766 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.430 -10.173 14.034 1.00 0.00 H new ATOM 870 N SER A 77 -2.524 -12.216 10.645 1.00 0.00 N ATOM 871 CA SER A 77 -3.378 -13.402 10.621 1.00 0.00 C ATOM 872 C SER A 77 -2.728 -14.580 9.872 1.00 0.00 C ATOM 873 O SER A 77 -3.370 -15.624 9.705 1.00 0.00 O ATOM 874 CB SER A 77 -4.789 -13.051 10.126 1.00 0.00 C ATOM 875 OG SER A 77 -4.811 -12.364 8.895 1.00 0.00 O ATOM 0 H SER A 77 -2.733 -11.543 9.907 1.00 0.00 H new ATOM 0 HA SER A 77 -3.491 -13.757 11.645 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.367 -13.970 10.028 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.286 -12.440 10.880 1.00 0.00 H new ATOM 0 HG SER A 77 -3.919 -12.389 8.490 1.00 0.00 H new ATOM 881 N GLY A 78 -1.454 -14.468 9.467 1.00 0.00 N ATOM 882 CA GLY A 78 -0.718 -15.593 8.920 1.00 0.00 C ATOM 883 C GLY A 78 -1.130 -15.852 7.478 1.00 0.00 C ATOM 884 O GLY A 78 -1.175 -17.008 7.058 1.00 0.00 O ATOM 0 H GLY A 78 -0.919 -13.601 9.513 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.352 -15.392 8.968 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.903 -16.483 9.522 1.00 0.00 H new ATOM 888 N SER A 79 -1.461 -14.805 6.729 1.00 0.00 N ATOM 889 CA SER A 79 -2.038 -14.895 5.398 1.00 0.00 C ATOM 890 C SER A 79 -1.108 -14.209 4.398 1.00 0.00 C ATOM 891 O SER A 79 -0.335 -13.325 4.792 1.00 0.00 O ATOM 892 CB SER A 79 -3.412 -14.222 5.422 1.00 0.00 C ATOM 893 OG SER A 79 -4.318 -14.955 6.227 1.00 0.00 O ATOM 0 H SER A 79 -1.330 -13.844 7.043 1.00 0.00 H new ATOM 0 HA SER A 79 -2.156 -15.935 5.095 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.318 -13.206 5.806 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.801 -14.144 4.407 1.00 0.00 H new ATOM 0 HG SER A 79 -5.189 -14.507 6.230 1.00 0.00 H new ATOM 899 N PRO A 80 -1.169 -14.574 3.107 1.00 0.00 N ATOM 900 CA PRO A 80 -0.418 -13.871 2.090 1.00 0.00 C ATOM 901 C PRO A 80 -0.961 -12.461 1.914 1.00 0.00 C ATOM 902 O PRO A 80 -2.154 -12.207 2.088 1.00 0.00 O ATOM 903 CB PRO A 80 -0.593 -14.670 0.802 1.00 0.00 C ATOM 904 CG PRO A 80 -1.899 -15.435 1.006 1.00 0.00 C ATOM 905 CD PRO A 80 -1.967 -15.638 2.517 1.00 0.00 C ATOM 0 HA PRO A 80 0.634 -13.783 2.363 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -0.647 -14.015 -0.068 1.00 0.00 H new ATOM 0 HB3 PRO A 80 0.244 -15.349 0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.756 -14.870 0.639 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.893 -16.386 0.474 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.997 -15.593 2.870 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.577 -16.617 2.796 1.00 0.00 H new ATOM 913 N ILE A 81 -0.097 -11.585 1.422 1.00 0.00 N ATOM 914 CA ILE A 81 -0.428 -10.233 0.992 1.00 0.00 C ATOM 915 C ILE A 81 -0.701 -10.231 -0.525 1.00 0.00 C ATOM 916 O ILE A 81 -0.502 -9.236 -1.217 1.00 0.00 O ATOM 917 CB ILE A 81 0.645 -9.254 1.527 1.00 0.00 C ATOM 918 CG1 ILE A 81 2.067 -9.541 0.994 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.606 -9.298 3.073 1.00 0.00 C ATOM 920 CD1 ILE A 81 3.141 -8.631 1.597 1.00 0.00 C ATOM 0 H ILE A 81 0.892 -11.805 1.307 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.359 -9.864 1.422 1.00 0.00 H new ATOM 0 HB ILE A 81 0.407 -8.255 1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.322 -10.580 1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.070 -9.425 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.354 -8.615 3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.383 -8.998 3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.819 -10.311 3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.114 -8.889 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.910 -7.592 1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.165 -8.764 2.679 1.00 0.00 H new ATOM 932 N ASP A 82 -1.202 -11.366 -1.026 1.00 0.00 N ATOM 933 CA ASP A 82 -1.708 -11.546 -2.383 1.00 0.00 C ATOM 934 C ASP A 82 -2.928 -10.682 -2.665 1.00 0.00 C ATOM 935 O ASP A 82 -3.759 -10.504 -1.770 1.00 0.00 O ATOM 936 CB ASP A 82 -2.123 -13.011 -2.581 1.00 0.00 C ATOM 937 CG ASP A 82 -1.884 -13.455 -4.008 1.00 0.00 C ATOM 938 OD1 ASP A 82 -0.769 -13.919 -4.331 1.00 0.00 O ATOM 939 OD2 ASP A 82 -2.829 -13.358 -4.819 1.00 0.00 O ATOM 0 H ASP A 82 -1.267 -12.218 -0.469 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.907 -11.256 -3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.559 -13.648 -1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.177 -13.131 -2.331 1.00 0.00 H new ATOM 944 N LEU A 83 -3.074 -10.216 -3.914 1.00 0.00 N ATOM 945 CA LEU A 83 -4.152 -9.311 -4.316 1.00 0.00 C ATOM 946 C LEU A 83 -5.516 -9.829 -3.870 1.00 0.00 C ATOM 947 O LEU A 83 -6.275 -9.073 -3.271 1.00 0.00 O ATOM 948 CB LEU A 83 -4.137 -9.028 -5.826 1.00 0.00 C ATOM 949 CG LEU A 83 -5.354 -8.221 -6.305 1.00 0.00 C ATOM 950 CD1 LEU A 83 -5.560 -6.918 -5.566 1.00 0.00 C ATOM 951 CD2 LEU A 83 -5.191 -7.797 -7.755 1.00 0.00 C ATOM 0 H LEU A 83 -2.441 -10.460 -4.676 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.971 -8.364 -3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.227 -8.484 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.102 -9.974 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.192 -8.897 -6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.438 -6.409 -5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.707 -7.121 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.683 -6.283 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.066 -7.228 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.300 -7.177 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.090 -8.682 -8.384 1.00 0.00 H new ATOM 963 N ILE A 84 -5.850 -11.092 -4.143 1.00 0.00 N ATOM 964 CA ILE A 84 -7.190 -11.582 -3.888 1.00 0.00 C ATOM 965 C ILE A 84 -7.468 -11.533 -2.387 1.00 0.00 C ATOM 966 O ILE A 84 -8.470 -10.968 -1.961 1.00 0.00 O ATOM 967 CB ILE A 84 -7.309 -13.001 -4.464 1.00 0.00 C ATOM 968 CG1 ILE A 84 -6.698 -13.128 -5.880 1.00 0.00 C ATOM 969 CG2 ILE A 84 -8.778 -13.447 -4.418 1.00 0.00 C ATOM 970 CD1 ILE A 84 -7.361 -12.300 -6.987 1.00 0.00 C ATOM 0 H ILE A 84 -5.211 -11.783 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.940 -10.958 -4.375 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.719 -13.673 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.647 -12.845 -5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.730 -14.177 -6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.866 -14.454 -4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.127 -13.442 -3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.385 -12.762 -5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.844 -12.474 -7.931 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.406 -12.595 -7.086 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.305 -11.242 -6.733 1.00 0.00 H new ATOM 982 N THR A 85 -6.552 -12.074 -1.591 1.00 0.00 N ATOM 983 CA THR A 85 -6.620 -12.111 -0.140 1.00 0.00 C ATOM 984 C THR A 85 -6.803 -10.700 0.428 1.00 0.00 C ATOM 985 O THR A 85 -7.612 -10.481 1.330 1.00 0.00 O ATOM 986 CB THR A 85 -5.337 -12.787 0.382 1.00 0.00 C ATOM 987 OG1 THR A 85 -5.001 -13.901 -0.433 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.480 -13.295 1.814 1.00 0.00 C ATOM 0 H THR A 85 -5.709 -12.516 -1.957 1.00 0.00 H new ATOM 0 HA THR A 85 -7.484 -12.689 0.189 1.00 0.00 H new ATOM 0 HB THR A 85 -4.560 -12.023 0.353 1.00 0.00 H new ATOM 0 HG1 THR A 85 -4.993 -14.715 0.113 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.547 -13.762 2.129 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.710 -12.459 2.475 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.286 -14.027 1.861 1.00 0.00 H new ATOM 996 N LEU A 86 -6.052 -9.746 -0.114 1.00 0.00 N ATOM 997 CA LEU A 86 -6.036 -8.344 0.270 1.00 0.00 C ATOM 998 C LEU A 86 -7.362 -7.661 -0.030 1.00 0.00 C ATOM 999 O LEU A 86 -7.931 -7.009 0.845 1.00 0.00 O ATOM 1000 CB LEU A 86 -4.876 -7.675 -0.477 1.00 0.00 C ATOM 1001 CG LEU A 86 -4.465 -6.300 0.058 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -3.885 -6.408 1.469 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -3.399 -5.744 -0.890 1.00 0.00 C ATOM 0 H LEU A 86 -5.403 -9.945 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.893 -8.254 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.010 -8.336 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.152 -7.572 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.336 -5.647 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.602 -5.417 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.633 -6.832 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.006 -7.052 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.079 -4.762 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.543 -6.418 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.815 -5.655 -1.894 1.00 0.00 H new ATOM 1015 N ALA A 87 -7.844 -7.818 -1.261 1.00 0.00 N ATOM 1016 CA ALA A 87 -9.106 -7.267 -1.720 1.00 0.00 C ATOM 1017 C ALA A 87 -10.251 -7.802 -0.868 1.00 0.00 C ATOM 1018 O ALA A 87 -11.042 -7.017 -0.349 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.311 -7.617 -3.193 1.00 0.00 C ATOM 0 H ALA A 87 -7.351 -8.346 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.088 -6.182 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.259 -7.203 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.496 -7.198 -3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.324 -8.701 -3.311 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.304 -9.125 -0.692 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.297 -9.793 0.135 1.00 0.00 C ATOM 1027 C GLU A 88 -11.243 -9.250 1.561 1.00 0.00 C ATOM 1028 O GLU A 88 -12.283 -8.968 2.147 1.00 0.00 O ATOM 1029 CB GLU A 88 -11.071 -11.314 0.114 1.00 0.00 C ATOM 1030 CG GLU A 88 -11.494 -11.965 -1.214 1.00 0.00 C ATOM 1031 CD GLU A 88 -11.256 -13.479 -1.224 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -10.250 -13.969 -0.660 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -12.062 -14.223 -1.834 1.00 0.00 O ATOM 0 H GLU A 88 -9.644 -9.768 -1.130 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.290 -9.593 -0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.016 -11.522 0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.630 -11.770 0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.550 -11.765 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.939 -11.507 -2.033 1.00 0.00 H new ATOM 1040 N SER A 89 -10.050 -9.042 2.118 1.00 0.00 N ATOM 1041 CA SER A 89 -9.912 -8.576 3.491 1.00 0.00 C ATOM 1042 C SER A 89 -10.426 -7.138 3.644 1.00 0.00 C ATOM 1043 O SER A 89 -11.072 -6.810 4.641 1.00 0.00 O ATOM 1044 CB SER A 89 -8.458 -8.748 3.937 1.00 0.00 C ATOM 1045 OG SER A 89 -8.348 -8.706 5.345 1.00 0.00 O ATOM 0 H SER A 89 -9.164 -9.191 1.634 1.00 0.00 H new ATOM 0 HA SER A 89 -10.535 -9.180 4.151 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.071 -9.698 3.567 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.844 -7.961 3.498 1.00 0.00 H new ATOM 0 HG SER A 89 -7.844 -7.909 5.610 1.00 0.00 H new ATOM 1051 N LEU A 90 -10.190 -6.281 2.651 1.00 0.00 N ATOM 1052 CA LEU A 90 -10.777 -4.948 2.629 1.00 0.00 C ATOM 1053 C LEU A 90 -12.296 -5.037 2.504 1.00 0.00 C ATOM 1054 O LEU A 90 -12.997 -4.248 3.130 1.00 0.00 O ATOM 1055 CB LEU A 90 -10.188 -4.124 1.480 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.839 -3.481 1.844 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -8.069 -3.166 0.562 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -8.998 -2.214 2.701 1.00 0.00 C ATOM 0 H LEU A 90 -9.594 -6.490 1.850 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.539 -4.448 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.057 -4.765 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.894 -3.343 1.199 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.282 -4.196 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.112 -2.710 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.896 -4.087 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.649 -2.476 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.015 -1.803 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.583 -1.475 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.510 -2.465 3.630 1.00 0.00 H new ATOM 1070 N GLU A 91 -12.831 -5.969 1.717 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.261 -6.208 1.582 1.00 0.00 C ATOM 1072 C GLU A 91 -14.864 -6.722 2.896 1.00 0.00 C ATOM 1073 O GLU A 91 -15.939 -6.254 3.277 1.00 0.00 O ATOM 1074 CB GLU A 91 -14.506 -7.095 0.340 1.00 0.00 C ATOM 1075 CG GLU A 91 -15.457 -8.266 0.578 1.00 0.00 C ATOM 1076 CD GLU A 91 -15.754 -9.050 -0.702 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -14.826 -9.659 -1.275 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -16.941 -9.116 -1.110 1.00 0.00 O ATOM 0 H GLU A 91 -12.265 -6.593 1.142 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.799 -5.278 1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.907 -6.474 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.549 -7.485 -0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.023 -8.937 1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -16.392 -7.892 0.996 1.00 0.00 H new ATOM 1085 N ARG A 92 -14.170 -7.580 3.656 1.00 0.00 N ATOM 1086 CA ARG A 92 -14.581 -7.937 5.014 1.00 0.00 C ATOM 1087 C ARG A 92 -14.732 -6.677 5.856 1.00 0.00 C ATOM 1088 O ARG A 92 -15.727 -6.538 6.562 1.00 0.00 O ATOM 1089 CB ARG A 92 -13.570 -8.874 5.686 1.00 0.00 C ATOM 1090 CG ARG A 92 -13.441 -10.282 5.098 1.00 0.00 C ATOM 1091 CD ARG A 92 -12.305 -10.960 5.872 1.00 0.00 C ATOM 1092 NE ARG A 92 -12.198 -12.399 5.621 1.00 0.00 N ATOM 1093 CZ ARG A 92 -11.432 -13.226 6.339 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -10.614 -12.751 7.272 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -11.497 -14.529 6.133 1.00 0.00 N ATOM 0 H ARG A 92 -13.315 -8.041 3.347 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.535 -8.459 4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.590 -8.399 5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.840 -8.968 6.738 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.373 -10.837 5.206 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.217 -10.241 4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.361 -10.483 5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.456 -10.797 6.939 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.740 -12.793 4.852 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.567 -11.747 7.446 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.033 -13.390 7.815 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.131 -14.903 5.427 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.913 -15.162 6.680 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.770 -5.757 5.771 1.00 0.00 N ATOM 1110 CA GLN A 93 -13.842 -4.481 6.473 1.00 0.00 C ATOM 1111 C GLN A 93 -14.850 -3.513 5.832 1.00 0.00 C ATOM 1112 O GLN A 93 -15.078 -2.438 6.390 1.00 0.00 O ATOM 1113 CB GLN A 93 -12.450 -3.825 6.550 1.00 0.00 C ATOM 1114 CG GLN A 93 -11.468 -4.556 7.481 1.00 0.00 C ATOM 1115 CD GLN A 93 -10.603 -3.540 8.224 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -11.016 -2.991 9.249 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -9.435 -3.196 7.722 1.00 0.00 N ATOM 0 H GLN A 93 -12.923 -5.877 5.215 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.195 -4.695 7.482 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.023 -3.783 5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.562 -2.796 6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.018 -5.170 8.195 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.837 -5.230 6.902 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.091 -3.648 6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.875 -2.478 8.180 1.00 0.00 H new ATOM 1126 N GLY A 94 -15.460 -3.834 4.685 1.00 0.00 N ATOM 1127 CA GLY A 94 -16.399 -2.952 4.006 1.00 0.00 C ATOM 1128 C GLY A 94 -15.695 -1.699 3.493 1.00 0.00 C ATOM 1129 O GLY A 94 -16.274 -0.613 3.507 1.00 0.00 O ATOM 0 H GLY A 94 -15.311 -4.721 4.204 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.863 -3.480 3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -17.199 -2.670 4.690 1.00 0.00 H new ATOM 1133 N GLN A 95 -14.432 -1.843 3.091 1.00 0.00 N ATOM 1134 CA GLN A 95 -13.529 -0.784 2.680 1.00 0.00 C ATOM 1135 C GLN A 95 -12.857 -1.088 1.337 1.00 0.00 C ATOM 1136 O GLN A 95 -11.953 -0.357 0.933 1.00 0.00 O ATOM 1137 CB GLN A 95 -12.488 -0.558 3.789 1.00 0.00 C ATOM 1138 CG GLN A 95 -13.105 0.111 5.028 1.00 0.00 C ATOM 1139 CD GLN A 95 -12.294 1.337 5.421 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -12.399 2.395 4.801 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -11.459 1.236 6.427 1.00 0.00 N ATOM 0 H GLN A 95 -13.991 -2.762 3.043 1.00 0.00 H new ATOM 0 HA GLN A 95 -14.105 0.129 2.531 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.048 -1.514 4.074 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.679 0.064 3.406 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.135 0.399 4.820 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.133 -0.597 5.857 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.378 0.356 6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.891 2.038 6.701 1.00 0.00 H new ATOM 1150 N LEU A 96 -13.292 -2.125 0.617 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.808 -2.383 -0.734 1.00 0.00 C ATOM 1152 C LEU A 96 -13.112 -1.170 -1.606 1.00 0.00 C ATOM 1153 O LEU A 96 -12.200 -0.604 -2.204 1.00 0.00 O ATOM 1154 CB LEU A 96 -13.408 -3.683 -1.277 1.00 0.00 C ATOM 1155 CG LEU A 96 -12.879 -4.058 -2.673 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -11.349 -4.139 -2.738 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -13.451 -5.424 -3.042 1.00 0.00 C ATOM 0 H LEU A 96 -13.980 -2.799 0.952 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.728 -2.528 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.189 -4.494 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.493 -3.585 -1.321 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.189 -3.275 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.041 -4.407 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.922 -3.172 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.995 -4.896 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.091 -5.715 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.131 -6.163 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.540 -5.372 -3.054 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.370 -0.719 -1.617 1.00 0.00 N ATOM 1170 CA ASP A 97 -14.777 0.519 -2.287 1.00 0.00 C ATOM 1171 C ASP A 97 -14.027 1.731 -1.728 1.00 0.00 C ATOM 1172 O ASP A 97 -13.597 2.579 -2.508 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.296 0.747 -2.202 1.00 0.00 C ATOM 1174 CG ASP A 97 -16.717 1.370 -0.870 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -16.701 0.651 0.151 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -17.029 2.578 -0.810 1.00 0.00 O ATOM 0 H ASP A 97 -15.140 -1.206 -1.158 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.514 0.405 -3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.610 1.396 -3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.812 -0.204 -2.335 1.00 0.00 H new ATOM 1181 N SER A 98 -13.820 1.799 -0.406 1.00 0.00 N ATOM 1182 CA SER A 98 -13.194 2.933 0.268 1.00 0.00 C ATOM 1183 C SER A 98 -11.820 3.230 -0.318 1.00 0.00 C ATOM 1184 O SER A 98 -11.484 4.401 -0.507 1.00 0.00 O ATOM 1185 CB SER A 98 -13.082 2.648 1.769 1.00 0.00 C ATOM 1186 OG SER A 98 -12.454 3.688 2.495 1.00 0.00 O ATOM 0 H SER A 98 -14.090 1.051 0.233 1.00 0.00 H new ATOM 0 HA SER A 98 -13.820 3.812 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.080 2.483 2.175 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.522 1.724 1.915 1.00 0.00 H new ATOM 0 HG SER A 98 -12.230 3.370 3.394 1.00 0.00 H new ATOM 1192 N VAL A 99 -11.014 2.208 -0.622 1.00 0.00 N ATOM 1193 CA VAL A 99 -9.659 2.451 -1.104 1.00 0.00 C ATOM 1194 C VAL A 99 -9.652 2.713 -2.617 1.00 0.00 C ATOM 1195 O VAL A 99 -8.647 3.163 -3.165 1.00 0.00 O ATOM 1196 CB VAL A 99 -8.707 1.328 -0.660 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -8.714 1.165 0.872 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -9.008 -0.025 -1.310 1.00 0.00 C ATOM 0 H VAL A 99 -11.273 1.224 -0.544 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.276 3.362 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.719 1.640 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.032 0.364 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.394 2.097 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.722 0.919 1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.297 -0.768 -0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.020 -0.336 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.922 0.064 -2.393 1.00 0.00 H new ATOM 1208 N GLY A 100 -10.787 2.508 -3.286 1.00 0.00 N ATOM 1209 CA GLY A 100 -11.010 2.778 -4.693 1.00 0.00 C ATOM 1210 C GLY A 100 -11.897 1.707 -5.318 1.00 0.00 C ATOM 1211 O GLY A 100 -12.579 1.985 -6.305 1.00 0.00 O ATOM 0 H GLY A 100 -11.616 2.128 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.476 3.756 -4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.055 2.816 -5.216 1.00 0.00 H new ATOM 1215 N GLY A 101 -11.933 0.497 -4.761 1.00 0.00 N ATOM 1216 CA GLY A 101 -12.563 -0.690 -5.333 1.00 0.00 C ATOM 1217 C GLY A 101 -11.511 -1.714 -5.763 1.00 0.00 C ATOM 1218 O GLY A 101 -10.310 -1.436 -5.729 1.00 0.00 O ATOM 0 H GLY A 101 -11.503 0.310 -3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.235 -1.138 -4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.171 -0.406 -6.192 1.00 0.00 H new ATOM 1222 N PHE A 102 -11.954 -2.901 -6.191 1.00 0.00 N ATOM 1223 CA PHE A 102 -11.070 -3.975 -6.644 1.00 0.00 C ATOM 1224 C PHE A 102 -10.206 -3.478 -7.803 1.00 0.00 C ATOM 1225 O PHE A 102 -8.989 -3.663 -7.795 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.872 -5.234 -7.040 1.00 0.00 C ATOM 1227 CG PHE A 102 -11.076 -6.530 -6.936 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -9.897 -6.720 -7.686 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -11.494 -7.544 -6.050 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -9.094 -7.854 -7.476 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -10.708 -8.695 -5.868 1.00 0.00 C ATOM 1232 CZ PHE A 102 -9.485 -8.830 -6.546 1.00 0.00 C ATOM 0 H PHE A 102 -12.944 -3.143 -6.232 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.417 -4.260 -5.819 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.753 -5.308 -6.402 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.229 -5.119 -8.064 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.609 -5.989 -8.427 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.422 -7.436 -5.509 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.175 -7.975 -8.031 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -11.045 -9.478 -5.205 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.849 -9.681 -6.353 1.00 0.00 H new ATOM 1242 N ALA A 103 -10.822 -2.810 -8.781 1.00 0.00 N ATOM 1243 CA ALA A 103 -10.155 -2.290 -9.963 1.00 0.00 C ATOM 1244 C ALA A 103 -9.045 -1.272 -9.644 1.00 0.00 C ATOM 1245 O ALA A 103 -8.178 -1.050 -10.494 1.00 0.00 O ATOM 1246 CB ALA A 103 -11.219 -1.707 -10.898 1.00 0.00 C ATOM 0 H ALA A 103 -11.823 -2.614 -8.767 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.635 -3.112 -10.456 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.739 -1.311 -11.793 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.923 -2.489 -11.180 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.753 -0.906 -10.387 1.00 0.00 H new ATOM 1252 N TYR A 104 -9.024 -0.676 -8.443 1.00 0.00 N ATOM 1253 CA TYR A 104 -7.910 0.139 -7.966 1.00 0.00 C ATOM 1254 C TYR A 104 -6.725 -0.758 -7.625 1.00 0.00 C ATOM 1255 O TYR A 104 -5.611 -0.519 -8.077 1.00 0.00 O ATOM 1256 CB TYR A 104 -8.313 0.949 -6.724 1.00 0.00 C ATOM 1257 CG TYR A 104 -7.302 2.014 -6.345 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -7.357 3.278 -6.958 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -6.302 1.746 -5.389 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -6.432 4.276 -6.614 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -5.369 2.740 -5.040 1.00 0.00 C ATOM 1262 CZ TYR A 104 -5.435 4.013 -5.650 1.00 0.00 C ATOM 1263 OH TYR A 104 -4.567 5.008 -5.308 1.00 0.00 O ATOM 0 H TYR A 104 -9.790 -0.750 -7.773 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.632 0.834 -8.758 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -9.278 1.423 -6.906 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.445 0.269 -5.883 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.116 3.482 -7.699 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.251 0.773 -4.922 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.483 5.246 -7.087 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.604 2.530 -4.307 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.763 4.617 -4.907 1.00 0.00 H new ATOM 1273 N LEU A 105 -6.957 -1.801 -6.822 1.00 0.00 N ATOM 1274 CA LEU A 105 -5.917 -2.729 -6.382 1.00 0.00 C ATOM 1275 C LEU A 105 -5.333 -3.474 -7.573 1.00 0.00 C ATOM 1276 O LEU A 105 -4.123 -3.677 -7.643 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.473 -3.763 -5.394 1.00 0.00 C ATOM 1278 CG LEU A 105 -7.285 -3.210 -4.214 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -7.842 -4.362 -3.379 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -6.415 -2.320 -3.328 1.00 0.00 C ATOM 0 H LEU A 105 -7.883 -2.025 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.145 -2.138 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.104 -4.459 -5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.638 -4.338 -4.995 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.106 -2.615 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.417 -3.961 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.488 -4.982 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.019 -4.965 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.011 -1.939 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.579 -2.901 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.034 -1.484 -3.915 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.192 -3.870 -8.512 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.757 -4.483 -9.749 1.00 0.00 C ATOM 1294 C ALA A 106 -4.940 -3.493 -10.580 1.00 0.00 C ATOM 1295 O ALA A 106 -3.958 -3.895 -11.206 1.00 0.00 O ATOM 1296 CB ALA A 106 -6.971 -5.017 -10.510 1.00 0.00 C ATOM 0 H ALA A 106 -7.204 -3.772 -8.429 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.102 -5.327 -9.531 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.643 -5.478 -11.441 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.486 -5.759 -9.899 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.651 -4.195 -10.733 1.00 0.00 H new ATOM 1302 N GLU A 107 -5.280 -2.197 -10.534 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.444 -1.180 -11.159 1.00 0.00 C ATOM 1304 C GLU A 107 -3.067 -1.185 -10.497 1.00 0.00 C ATOM 1305 O GLU A 107 -2.083 -1.238 -11.230 1.00 0.00 O ATOM 1306 CB GLU A 107 -5.060 0.240 -11.219 1.00 0.00 C ATOM 1307 CG GLU A 107 -4.287 1.023 -12.301 1.00 0.00 C ATOM 1308 CD GLU A 107 -4.714 2.455 -12.619 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -5.859 2.880 -12.352 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -3.888 3.167 -13.243 1.00 0.00 O ATOM 0 H GLU A 107 -6.118 -1.838 -10.076 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.355 -1.455 -12.210 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.121 0.190 -11.464 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -4.979 0.737 -10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.239 1.049 -12.004 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -4.342 0.449 -13.226 1.00 0.00 H new ATOM 1317 N LEU A 108 -2.977 -1.195 -9.157 1.00 0.00 N ATOM 1318 CA LEU A 108 -1.699 -1.240 -8.433 1.00 0.00 C ATOM 1319 C LEU A 108 -0.862 -2.421 -8.909 1.00 0.00 C ATOM 1320 O LEU A 108 0.303 -2.249 -9.269 1.00 0.00 O ATOM 1321 CB LEU A 108 -1.848 -1.357 -6.899 1.00 0.00 C ATOM 1322 CG LEU A 108 -2.676 -0.287 -6.176 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -2.545 -0.476 -4.660 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -2.215 1.121 -6.530 1.00 0.00 C ATOM 0 H LEU A 108 -3.792 -1.172 -8.545 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.215 -0.288 -8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.291 -2.328 -6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.848 -1.357 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.712 -0.403 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.133 0.284 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.910 -1.465 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.498 -0.382 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.827 1.849 -5.997 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.171 1.245 -6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.317 1.278 -7.604 1.00 0.00 H new ATOM 1336 N SER A 109 -1.460 -3.614 -8.901 1.00 0.00 N ATOM 1337 CA SER A 109 -0.777 -4.848 -9.244 1.00 0.00 C ATOM 1338 C SER A 109 -0.239 -4.734 -10.673 1.00 0.00 C ATOM 1339 O SER A 109 0.946 -4.970 -10.917 1.00 0.00 O ATOM 1340 CB SER A 109 -1.731 -6.040 -9.055 1.00 0.00 C ATOM 1341 OG SER A 109 -0.995 -7.223 -8.797 1.00 0.00 O ATOM 0 H SER A 109 -2.441 -3.744 -8.653 1.00 0.00 H new ATOM 0 HA SER A 109 0.073 -5.020 -8.584 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.414 -5.841 -8.229 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.342 -6.171 -9.948 1.00 0.00 H new ATOM 0 HG SER A 109 -0.888 -7.337 -7.830 1.00 0.00 H new ATOM 1347 N LYS A 110 -1.074 -4.313 -11.626 1.00 0.00 N ATOM 1348 CA LYS A 110 -0.646 -4.196 -13.019 1.00 0.00 C ATOM 1349 C LYS A 110 0.349 -3.053 -13.234 1.00 0.00 C ATOM 1350 O LYS A 110 1.198 -3.143 -14.118 1.00 0.00 O ATOM 1351 CB LYS A 110 -1.887 -4.094 -13.915 1.00 0.00 C ATOM 1352 CG LYS A 110 -1.557 -4.295 -15.404 1.00 0.00 C ATOM 1353 CD LYS A 110 -2.747 -4.030 -16.334 1.00 0.00 C ATOM 1354 CE LYS A 110 -4.045 -4.732 -15.914 1.00 0.00 C ATOM 1355 NZ LYS A 110 -3.936 -6.202 -15.966 1.00 0.00 N ATOM 0 H LYS A 110 -2.045 -4.049 -11.458 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.093 -5.093 -13.298 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.618 -4.841 -13.604 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.351 -3.117 -13.778 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.736 -3.633 -15.679 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.207 -5.316 -15.556 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.927 -2.956 -16.378 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.484 -4.351 -17.342 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.308 -4.426 -14.901 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.856 -4.408 -16.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.839 -6.628 -15.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.712 -6.499 -16.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.181 -6.517 -15.324 1.00 0.00 H new ATOM 1369 N ASN A 111 0.324 -2.017 -12.399 1.00 0.00 N ATOM 1370 CA ASN A 111 1.142 -0.798 -12.512 1.00 0.00 C ATOM 1371 C ASN A 111 2.536 -0.980 -11.909 1.00 0.00 C ATOM 1372 O ASN A 111 3.276 -0.028 -11.665 1.00 0.00 O ATOM 1373 CB ASN A 111 0.400 0.385 -11.855 1.00 0.00 C ATOM 1374 CG ASN A 111 1.137 1.713 -11.961 1.00 0.00 C ATOM 1375 OD1 ASN A 111 1.331 2.402 -10.849 1.00 0.00 O flip ATOM 1376 ND2 ASN A 111 1.512 2.161 -13.043 1.00 0.00 N flip ATOM 0 H ASN A 111 -0.292 -1.997 -11.587 1.00 0.00 H new ATOM 0 HA ASN A 111 1.290 -0.585 -13.571 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.581 0.488 -12.318 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.233 0.157 -10.802 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.360 1.625 -13.897 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.975 3.069 -13.086 1.00 0.00 H new ATOM 1383 N THR A 112 2.910 -2.225 -11.684 1.00 0.00 N ATOM 1384 CA THR A 112 4.125 -2.622 -11.014 1.00 0.00 C ATOM 1385 C THR A 112 5.019 -3.337 -12.035 1.00 0.00 C ATOM 1386 O THR A 112 4.693 -4.454 -12.441 1.00 0.00 O ATOM 1387 CB THR A 112 3.749 -3.479 -9.805 1.00 0.00 C ATOM 1388 OG1 THR A 112 2.985 -2.715 -8.894 1.00 0.00 O ATOM 1389 CG2 THR A 112 4.985 -3.944 -9.053 1.00 0.00 C ATOM 0 H THR A 112 2.345 -3.022 -11.979 1.00 0.00 H new ATOM 0 HA THR A 112 4.694 -1.775 -10.632 1.00 0.00 H new ATOM 0 HB THR A 112 3.190 -4.336 -10.181 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.061 -2.652 -9.215 1.00 0.00 H new ATOM 0 HG21 THR A 112 4.684 -4.551 -8.199 1.00 0.00 H new ATOM 0 HG22 THR A 112 5.613 -4.538 -9.717 1.00 0.00 H new ATOM 0 HG23 THR A 112 5.545 -3.077 -8.703 1.00 0.00 H new ATOM 1397 N PRO A 113 6.142 -2.735 -12.472 1.00 0.00 N ATOM 1398 CA PRO A 113 7.136 -3.390 -13.321 1.00 0.00 C ATOM 1399 C PRO A 113 7.990 -4.360 -12.476 1.00 0.00 C ATOM 1400 O PRO A 113 9.223 -4.246 -12.424 1.00 0.00 O ATOM 1401 CB PRO A 113 7.919 -2.219 -13.928 1.00 0.00 C ATOM 1402 CG PRO A 113 7.922 -1.180 -12.809 1.00 0.00 C ATOM 1403 CD PRO A 113 6.543 -1.361 -12.184 1.00 0.00 C ATOM 0 HA PRO A 113 6.723 -4.018 -14.110 1.00 0.00 H new ATOM 0 HB2 PRO A 113 8.931 -2.513 -14.206 1.00 0.00 H new ATOM 0 HB3 PRO A 113 7.439 -1.838 -14.829 1.00 0.00 H new ATOM 0 HG2 PRO A 113 8.720 -1.362 -12.089 1.00 0.00 H new ATOM 0 HG3 PRO A 113 8.063 -0.170 -13.194 1.00 0.00 H new ATOM 0 HD2 PRO A 113 6.576 -1.182 -11.109 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.830 -0.651 -12.603 1.00 0.00 H new ATOM 1411 N SER A 114 7.324 -5.328 -11.839 1.00 0.00 N ATOM 1412 CA SER A 114 7.822 -6.228 -10.804 1.00 0.00 C ATOM 1413 C SER A 114 8.304 -5.469 -9.556 1.00 0.00 C ATOM 1414 O SER A 114 8.254 -4.238 -9.481 1.00 0.00 O ATOM 1415 CB SER A 114 8.908 -7.174 -11.329 1.00 0.00 C ATOM 1416 OG SER A 114 8.414 -8.099 -12.272 1.00 0.00 O ATOM 0 H SER A 114 6.344 -5.514 -12.054 1.00 0.00 H new ATOM 0 HA SER A 114 6.973 -6.843 -10.504 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.706 -6.588 -11.785 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.349 -7.715 -10.492 1.00 0.00 H new ATOM 0 HG SER A 114 9.144 -8.677 -12.577 1.00 0.00 H new ATOM 1422 N ALA A 115 8.723 -6.221 -8.536 1.00 0.00 N ATOM 1423 CA ALA A 115 9.429 -5.711 -7.374 1.00 0.00 C ATOM 1424 C ALA A 115 10.911 -5.751 -7.755 1.00 0.00 C ATOM 1425 O ALA A 115 11.642 -6.650 -7.332 1.00 0.00 O ATOM 1426 CB ALA A 115 9.107 -6.589 -6.156 1.00 0.00 C ATOM 0 H ALA A 115 8.573 -7.229 -8.501 1.00 0.00 H new ATOM 0 HA ALA A 115 9.138 -4.697 -7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.636 -6.208 -5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 115 8.034 -6.570 -5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 115 9.422 -7.614 -6.353 1.00 0.00 H new ATOM 1432 N ALA A 116 11.344 -4.859 -8.644 1.00 0.00 N ATOM 1433 CA ALA A 116 12.722 -4.801 -9.123 1.00 0.00 C ATOM 1434 C ALA A 116 13.601 -3.955 -8.199 1.00 0.00 C ATOM 1435 O ALA A 116 14.795 -4.226 -8.058 1.00 0.00 O ATOM 1436 CB ALA A 116 12.730 -4.185 -10.524 1.00 0.00 C ATOM 0 H ALA A 116 10.740 -4.148 -9.056 1.00 0.00 H new ATOM 0 HA ALA A 116 13.125 -5.814 -9.141 1.00 0.00 H new ATOM 0 HB1 ALA A 116 13.754 -4.136 -10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.131 -4.800 -11.195 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.311 -3.180 -10.482 1.00 0.00 H new ATOM 1442 N ASN A 117 13.023 -2.911 -7.613 1.00 0.00 N ATOM 1443 CA ASN A 117 13.665 -1.834 -6.873 1.00 0.00 C ATOM 1444 C ASN A 117 12.730 -1.407 -5.741 1.00 0.00 C ATOM 1445 O ASN A 117 12.639 -0.221 -5.420 1.00 0.00 O ATOM 1446 CB ASN A 117 13.924 -0.651 -7.829 1.00 0.00 C ATOM 1447 CG ASN A 117 14.894 -0.976 -8.948 1.00 0.00 C ATOM 1448 OD1 ASN A 117 14.573 -0.808 -10.121 1.00 0.00 O ATOM 1449 ND2 ASN A 117 16.092 -1.416 -8.612 1.00 0.00 N ATOM 0 H ASN A 117 12.011 -2.788 -7.647 1.00 0.00 H new ATOM 0 HA ASN A 117 14.617 -2.163 -6.456 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.976 -0.331 -8.262 1.00 0.00 H new ATOM 0 HB3 ASN A 117 14.313 0.190 -7.255 1.00 0.00 H new ATOM 0 HD21 ASN A 117 16.780 -1.626 -9.336 1.00 0.00 H new ATOM 0 HD22 ASN A 117 16.330 -1.546 -7.629 1.00 0.00 H new ATOM 1456 N ILE A 118 11.985 -2.351 -5.156 1.00 0.00 N ATOM 1457 CA ILE A 118 10.890 -2.063 -4.232 1.00 0.00 C ATOM 1458 C ILE A 118 11.362 -1.191 -3.080 1.00 0.00 C ATOM 1459 O ILE A 118 10.734 -0.191 -2.738 1.00 0.00 O ATOM 1460 CB ILE A 118 10.253 -3.393 -3.777 1.00 0.00 C ATOM 1461 CG1 ILE A 118 8.802 -3.149 -3.319 1.00 0.00 C ATOM 1462 CG2 ILE A 118 11.068 -4.187 -2.739 1.00 0.00 C ATOM 1463 CD1 ILE A 118 8.043 -4.429 -2.951 1.00 0.00 C ATOM 0 H ILE A 118 12.130 -3.348 -5.315 1.00 0.00 H new ATOM 0 HA ILE A 118 10.116 -1.483 -4.735 1.00 0.00 H new ATOM 0 HB ILE A 118 10.253 -4.045 -4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.811 -2.483 -2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.262 -2.634 -4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.537 -5.104 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 118 12.044 -4.436 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.201 -3.583 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.030 -4.174 -2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.001 -5.089 -3.818 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.558 -4.935 -2.134 1.00 0.00 H new ATOM 1475 N SER A 119 12.514 -1.548 -2.531 1.00 0.00 N ATOM 1476 CA SER A 119 13.137 -0.851 -1.423 1.00 0.00 C ATOM 1477 C SER A 119 13.524 0.580 -1.799 1.00 0.00 C ATOM 1478 O SER A 119 13.371 1.490 -0.989 1.00 0.00 O ATOM 1479 CB SER A 119 14.334 -1.671 -0.939 1.00 0.00 C ATOM 1480 OG SER A 119 13.904 -3.003 -0.730 1.00 0.00 O ATOM 0 H SER A 119 13.052 -2.352 -2.855 1.00 0.00 H new ATOM 0 HA SER A 119 12.423 -0.755 -0.605 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.137 -1.642 -1.676 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.733 -1.251 -0.016 1.00 0.00 H new ATOM 0 HG SER A 119 14.659 -3.546 -0.421 1.00 0.00 H new ATOM 1486 N ALA A 120 13.966 0.795 -3.038 1.00 0.00 N ATOM 1487 CA ALA A 120 14.323 2.111 -3.552 1.00 0.00 C ATOM 1488 C ALA A 120 13.093 2.964 -3.877 1.00 0.00 C ATOM 1489 O ALA A 120 13.227 4.191 -3.906 1.00 0.00 O ATOM 1490 CB ALA A 120 15.232 1.997 -4.772 1.00 0.00 C ATOM 0 H ALA A 120 14.087 0.047 -3.720 1.00 0.00 H new ATOM 0 HA ALA A 120 14.869 2.619 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.482 2.994 -5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.146 1.471 -4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.718 1.444 -5.558 1.00 0.00 H new ATOM 1496 N TYR A 121 11.933 2.363 -4.178 1.00 0.00 N ATOM 1497 CA TYR A 121 10.659 3.073 -4.272 1.00 0.00 C ATOM 1498 C TYR A 121 10.157 3.414 -2.871 1.00 0.00 C ATOM 1499 O TYR A 121 9.751 4.550 -2.628 1.00 0.00 O ATOM 1500 CB TYR A 121 9.605 2.233 -5.015 1.00 0.00 C ATOM 1501 CG TYR A 121 9.621 2.305 -6.532 1.00 0.00 C ATOM 1502 CD1 TYR A 121 9.721 3.553 -7.178 1.00 0.00 C ATOM 1503 CD2 TYR A 121 9.401 1.146 -7.301 1.00 0.00 C ATOM 1504 CE1 TYR A 121 9.620 3.648 -8.573 1.00 0.00 C ATOM 1505 CE2 TYR A 121 9.253 1.241 -8.698 1.00 0.00 C ATOM 1506 CZ TYR A 121 9.364 2.493 -9.342 1.00 0.00 C ATOM 1507 OH TYR A 121 9.186 2.600 -10.689 1.00 0.00 O ATOM 0 H TYR A 121 11.857 1.363 -4.364 1.00 0.00 H new ATOM 0 HA TYR A 121 10.820 3.990 -4.838 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.733 1.191 -4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.618 2.542 -4.670 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.877 4.447 -6.592 1.00 0.00 H new ATOM 0 HD2 TYR A 121 9.346 0.182 -6.818 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.738 4.605 -9.059 1.00 0.00 H new ATOM 0 HE2 TYR A 121 9.054 0.353 -9.279 1.00 0.00 H new ATOM 0 HH TYR A 121 9.020 1.712 -11.069 1.00 0.00 H new ATOM 1517 N ALA A 122 10.210 2.464 -1.937 1.00 0.00 N ATOM 1518 CA ALA A 122 9.837 2.705 -0.551 1.00 0.00 C ATOM 1519 C ALA A 122 10.720 3.790 0.068 1.00 0.00 C ATOM 1520 O ALA A 122 10.221 4.593 0.845 1.00 0.00 O ATOM 1521 CB ALA A 122 9.906 1.396 0.235 1.00 0.00 C ATOM 0 H ALA A 122 10.513 1.508 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 122 8.811 3.070 -0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.626 1.579 1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.219 0.672 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.922 1.002 0.197 1.00 0.00 H new ATOM 1527 N ASP A 123 11.992 3.879 -0.322 1.00 0.00 N ATOM 1528 CA ASP A 123 12.892 4.960 0.074 1.00 0.00 C ATOM 1529 C ASP A 123 12.402 6.324 -0.417 1.00 0.00 C ATOM 1530 O ASP A 123 12.744 7.334 0.195 1.00 0.00 O ATOM 1531 CB ASP A 123 14.308 4.735 -0.485 1.00 0.00 C ATOM 1532 CG ASP A 123 15.252 3.955 0.426 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.201 4.122 1.662 1.00 0.00 O ATOM 1534 OD2 ASP A 123 16.137 3.251 -0.113 1.00 0.00 O ATOM 0 H ASP A 123 12.432 3.190 -0.932 1.00 0.00 H new ATOM 0 HA ASP A 123 12.910 4.954 1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.226 4.206 -1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 123 14.755 5.706 -0.698 1.00 0.00 H new ATOM 1539 N ILE A 124 11.630 6.411 -1.508 1.00 0.00 N ATOM 1540 CA ILE A 124 11.016 7.674 -1.916 1.00 0.00 C ATOM 1541 C ILE A 124 9.945 8.010 -0.879 1.00 0.00 C ATOM 1542 O ILE A 124 9.990 9.090 -0.292 1.00 0.00 O ATOM 1543 CB ILE A 124 10.436 7.657 -3.352 1.00 0.00 C ATOM 1544 CG1 ILE A 124 11.356 6.983 -4.386 1.00 0.00 C ATOM 1545 CG2 ILE A 124 10.173 9.116 -3.778 1.00 0.00 C ATOM 1546 CD1 ILE A 124 10.792 7.001 -5.812 1.00 0.00 C ATOM 0 H ILE A 124 11.418 5.623 -2.120 1.00 0.00 H new ATOM 0 HA ILE A 124 11.787 8.444 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 124 9.521 7.065 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 124 12.324 7.484 -4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 124 11.531 5.950 -4.086 1.00 0.00 H new ATOM 0 HG21 ILE A 124 9.763 9.132 -4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 124 9.461 9.573 -3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.108 9.675 -3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 124 11.493 6.509 -6.487 1.00 0.00 H new ATOM 0 HD12 ILE A 124 9.838 6.474 -5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 124 10.644 8.032 -6.132 1.00 0.00 H new ATOM 1558 N VAL A 125 9.018 7.083 -0.618 1.00 0.00 N ATOM 1559 CA VAL A 125 7.930 7.274 0.336 1.00 0.00 C ATOM 1560 C VAL A 125 8.502 7.647 1.710 1.00 0.00 C ATOM 1561 O VAL A 125 8.010 8.591 2.332 1.00 0.00 O ATOM 1562 CB VAL A 125 7.028 6.021 0.390 1.00 0.00 C ATOM 1563 CG1 VAL A 125 5.794 6.259 1.273 1.00 0.00 C ATOM 1564 CG2 VAL A 125 6.538 5.596 -1.006 1.00 0.00 C ATOM 0 H VAL A 125 9.005 6.169 -1.071 1.00 0.00 H new ATOM 0 HA VAL A 125 7.298 8.100 0.009 1.00 0.00 H new ATOM 0 HB VAL A 125 7.646 5.228 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.180 5.359 1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.113 6.500 2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.212 7.088 0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 125 5.908 4.711 -0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 125 5.963 6.407 -1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 125 7.396 5.368 -1.639 1.00 0.00 H new ATOM 1574 N ARG A 126 9.553 6.959 2.174 1.00 0.00 N ATOM 1575 CA ARG A 126 10.221 7.274 3.431 1.00 0.00 C ATOM 1576 C ARG A 126 10.809 8.674 3.383 1.00 0.00 C ATOM 1577 O ARG A 126 10.503 9.464 4.263 1.00 0.00 O ATOM 1578 CB ARG A 126 11.320 6.257 3.771 1.00 0.00 C ATOM 1579 CG ARG A 126 11.721 6.376 5.256 1.00 0.00 C ATOM 1580 CD ARG A 126 13.163 5.908 5.449 1.00 0.00 C ATOM 1581 NE ARG A 126 13.532 5.515 6.820 1.00 0.00 N ATOM 1582 CZ ARG A 126 13.537 6.238 7.946 1.00 0.00 C ATOM 1583 NH1 ARG A 126 12.734 7.281 8.123 1.00 0.00 N ATOM 1584 NH2 ARG A 126 14.377 5.890 8.918 1.00 0.00 N ATOM 0 H ARG A 126 9.962 6.165 1.681 1.00 0.00 H new ATOM 0 HA ARG A 126 9.467 7.224 4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 126 10.967 5.247 3.563 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.191 6.427 3.138 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.618 7.409 5.587 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.050 5.776 5.871 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.341 5.060 4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.831 6.708 5.129 1.00 0.00 H new ATOM 0 HE ARG A 126 13.829 4.545 6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.084 7.555 7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.767 7.808 8.996 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.997 5.089 8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.401 6.424 9.787 1.00 0.00 H new ATOM 1598 N GLU A 127 11.645 9.009 2.397 1.00 0.00 N ATOM 1599 CA GLU A 127 12.298 10.318 2.365 1.00 0.00 C ATOM 1600 C GLU A 127 11.253 11.429 2.358 1.00 0.00 C ATOM 1601 O GLU A 127 11.380 12.448 3.033 1.00 0.00 O ATOM 1602 CB GLU A 127 13.186 10.438 1.119 1.00 0.00 C ATOM 1603 CG GLU A 127 14.272 11.515 1.249 1.00 0.00 C ATOM 1604 CD GLU A 127 15.464 11.052 2.093 1.00 0.00 C ATOM 1605 OE1 GLU A 127 15.284 10.705 3.284 1.00 0.00 O ATOM 1606 OE2 GLU A 127 16.613 11.077 1.594 1.00 0.00 O ATOM 0 H GLU A 127 11.884 8.397 1.617 1.00 0.00 H new ATOM 0 HA GLU A 127 12.918 10.417 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.660 9.476 0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 127 12.560 10.665 0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 127 14.622 11.794 0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 127 13.840 12.409 1.698 1.00 0.00 H new ATOM 1613 N ARG A 128 10.181 11.223 1.604 1.00 0.00 N ATOM 1614 CA ARG A 128 9.051 12.139 1.586 1.00 0.00 C ATOM 1615 C ARG A 128 8.392 12.233 2.962 1.00 0.00 C ATOM 1616 O ARG A 128 8.052 13.344 3.359 1.00 0.00 O ATOM 1617 CB ARG A 128 8.048 11.697 0.509 1.00 0.00 C ATOM 1618 CG ARG A 128 8.576 11.864 -0.926 1.00 0.00 C ATOM 1619 CD ARG A 128 8.610 13.326 -1.377 1.00 0.00 C ATOM 1620 NE ARG A 128 9.659 13.547 -2.380 1.00 0.00 N ATOM 1621 CZ ARG A 128 9.520 13.521 -3.708 1.00 0.00 C ATOM 1622 NH1 ARG A 128 8.323 13.396 -4.272 1.00 0.00 N ATOM 1623 NH2 ARG A 128 10.599 13.611 -4.470 1.00 0.00 N ATOM 0 H ARG A 128 10.072 10.417 0.989 1.00 0.00 H new ATOM 0 HA ARG A 128 9.410 13.138 1.339 1.00 0.00 H new ATOM 0 HB2 ARG A 128 7.788 10.651 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 128 7.130 12.274 0.620 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.580 11.445 -0.990 1.00 0.00 H new ATOM 0 HG3 ARG A 128 7.948 11.292 -1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 128 7.641 13.604 -1.792 1.00 0.00 H new ATOM 0 HD3 ARG A 128 8.785 13.971 -0.516 1.00 0.00 H new ATOM 0 HE ARG A 128 10.595 13.741 -2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 128 7.490 13.318 -3.689 1.00 0.00 H new ATOM 0 HH12 ARG A 128 8.237 13.378 -5.288 1.00 0.00 H new ATOM 0 HH21 ARG A 128 11.520 13.699 -4.041 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.509 13.593 -5.486 1.00 0.00 H new ATOM 1637 N ALA A 129 8.217 11.131 3.692 1.00 0.00 N ATOM 1638 CA ALA A 129 7.652 11.138 5.037 1.00 0.00 C ATOM 1639 C ALA A 129 8.581 11.840 6.037 1.00 0.00 C ATOM 1640 O ALA A 129 8.101 12.596 6.882 1.00 0.00 O ATOM 1641 CB ALA A 129 7.356 9.708 5.492 1.00 0.00 C ATOM 0 H ALA A 129 8.467 10.199 3.360 1.00 0.00 H new ATOM 0 HA ALA A 129 6.719 11.701 5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.935 9.726 6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.643 9.249 4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.279 9.129 5.496 1.00 0.00 H new ATOM 1647 N VAL A 130 9.896 11.643 5.924 1.00 0.00 N ATOM 1648 CA VAL A 130 10.903 12.338 6.716 1.00 0.00 C ATOM 1649 C VAL A 130 10.763 13.841 6.475 1.00 0.00 C ATOM 1650 O VAL A 130 10.577 14.617 7.408 1.00 0.00 O ATOM 1651 CB VAL A 130 12.312 11.793 6.384 1.00 0.00 C ATOM 1652 CG1 VAL A 130 13.413 12.638 7.036 1.00 0.00 C ATOM 1653 CG2 VAL A 130 12.480 10.338 6.852 1.00 0.00 C ATOM 0 H VAL A 130 10.296 10.978 5.262 1.00 0.00 H new ATOM 0 HA VAL A 130 10.754 12.159 7.781 1.00 0.00 H new ATOM 0 HB VAL A 130 12.408 11.842 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 130 14.389 12.225 6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.347 13.664 6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 130 13.287 12.627 8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 130 13.482 9.989 6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 130 12.336 10.284 7.931 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.742 9.708 6.355 1.00 0.00 H new ATOM 1663 N VAL A 131 10.798 14.273 5.218 1.00 0.00 N ATOM 1664 CA VAL A 131 10.682 15.686 4.880 1.00 0.00 C ATOM 1665 C VAL A 131 9.297 16.217 5.292 1.00 0.00 C ATOM 1666 O VAL A 131 9.189 17.368 5.715 1.00 0.00 O ATOM 1667 CB VAL A 131 11.019 15.869 3.387 1.00 0.00 C ATOM 1668 CG1 VAL A 131 10.852 17.316 2.915 1.00 0.00 C ATOM 1669 CG2 VAL A 131 12.483 15.484 3.106 1.00 0.00 C ATOM 0 H VAL A 131 10.907 13.658 4.411 1.00 0.00 H new ATOM 0 HA VAL A 131 11.398 16.288 5.439 1.00 0.00 H new ATOM 0 HB VAL A 131 10.322 15.224 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 131 11.103 17.385 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 131 9.819 17.630 3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 131 11.515 17.964 3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 131 12.698 15.621 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 131 13.145 16.118 3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 131 12.643 14.440 3.377 1.00 0.00 H new ATOM 1679 N ARG A 132 8.239 15.397 5.242 1.00 0.00 N ATOM 1680 CA ARG A 132 6.916 15.763 5.738 1.00 0.00 C ATOM 1681 C ARG A 132 6.990 16.116 7.214 1.00 0.00 C ATOM 1682 O ARG A 132 6.520 17.184 7.601 1.00 0.00 O ATOM 1683 CB ARG A 132 5.886 14.654 5.443 1.00 0.00 C ATOM 1684 CG ARG A 132 4.475 14.942 5.992 1.00 0.00 C ATOM 1685 CD ARG A 132 3.600 13.686 6.132 1.00 0.00 C ATOM 1686 NE ARG A 132 4.186 12.663 7.023 1.00 0.00 N ATOM 1687 CZ ARG A 132 4.416 12.763 8.337 1.00 0.00 C ATOM 1688 NH1 ARG A 132 4.020 13.846 9.001 1.00 0.00 N ATOM 1689 NH2 ARG A 132 5.033 11.786 8.989 1.00 0.00 N ATOM 0 H ARG A 132 8.283 14.455 4.852 1.00 0.00 H new ATOM 0 HA ARG A 132 6.570 16.651 5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 132 5.822 14.510 4.364 1.00 0.00 H new ATOM 0 HB3 ARG A 132 6.245 13.717 5.869 1.00 0.00 H new ATOM 0 HG2 ARG A 132 4.565 15.422 6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 132 3.975 15.651 5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 132 2.621 13.974 6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 132 3.441 13.251 5.146 1.00 0.00 H new ATOM 0 HE ARG A 132 4.445 11.779 6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 132 3.541 14.600 8.508 1.00 0.00 H new ATOM 0 HH12 ARG A 132 4.195 13.922 10.003 1.00 0.00 H new ATOM 0 HH21 ARG A 132 5.336 10.951 8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 132 5.204 11.870 9.991 1.00 0.00 H new ATOM 1703 N GLU A 133 7.500 15.212 8.035 1.00 0.00 N ATOM 1704 CA GLU A 133 7.485 15.361 9.491 1.00 0.00 C ATOM 1705 C GLU A 133 8.491 16.407 9.965 1.00 0.00 C ATOM 1706 O GLU A 133 8.247 17.087 10.960 1.00 0.00 O ATOM 1707 CB GLU A 133 7.632 13.997 10.181 1.00 0.00 C ATOM 1708 CG GLU A 133 9.020 13.339 10.254 1.00 0.00 C ATOM 1709 CD GLU A 133 9.872 13.712 11.471 1.00 0.00 C ATOM 1710 OE1 GLU A 133 9.323 13.985 12.564 1.00 0.00 O ATOM 1711 OE2 GLU A 133 11.113 13.575 11.406 1.00 0.00 O ATOM 0 H GLU A 133 7.939 14.349 7.714 1.00 0.00 H new ATOM 0 HA GLU A 133 6.511 15.749 9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.266 14.105 11.202 1.00 0.00 H new ATOM 0 HB3 GLU A 133 6.964 13.300 9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 133 8.889 12.257 10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.574 13.602 9.352 1.00 0.00 H new ATOM 1718 N MET A 134 9.578 16.591 9.219 1.00 0.00 N ATOM 1719 CA MET A 134 10.550 17.669 9.395 1.00 0.00 C ATOM 1720 C MET A 134 10.086 18.994 8.758 1.00 0.00 C ATOM 1721 O MET A 134 10.853 19.963 8.729 1.00 0.00 O ATOM 1722 CB MET A 134 11.906 17.241 8.823 1.00 0.00 C ATOM 1723 CG MET A 134 12.532 16.073 9.589 1.00 0.00 C ATOM 1724 SD MET A 134 14.183 15.634 8.984 1.00 0.00 S ATOM 1725 CE MET A 134 15.144 15.813 10.512 1.00 0.00 C ATOM 0 H MET A 134 9.816 15.970 8.446 1.00 0.00 H new ATOM 0 HA MET A 134 10.646 17.854 10.465 1.00 0.00 H new ATOM 0 HB2 MET A 134 11.781 16.958 7.778 1.00 0.00 H new ATOM 0 HB3 MET A 134 12.588 18.091 8.844 1.00 0.00 H new ATOM 0 HG2 MET A 134 12.595 16.331 10.646 1.00 0.00 H new ATOM 0 HG3 MET A 134 11.879 15.203 9.512 1.00 0.00 H new ATOM 0 HE1 MET A 134 16.190 15.578 10.314 1.00 0.00 H new ATOM 0 HE2 MET A 134 15.065 16.838 10.874 1.00 0.00 H new ATOM 0 HE3 MET A 134 14.756 15.131 11.268 1.00 0.00 H new ATOM 1735 N ILE A 135 8.843 19.083 8.285 1.00 0.00 N ATOM 1736 CA ILE A 135 8.162 20.287 7.825 1.00 0.00 C ATOM 1737 C ILE A 135 8.911 21.003 6.675 1.00 0.00 C ATOM 1738 O ILE A 135 9.091 22.227 6.685 1.00 0.00 O ATOM 1739 CB ILE A 135 7.763 21.178 9.034 1.00 0.00 C ATOM 1740 CG1 ILE A 135 7.323 20.426 10.317 1.00 0.00 C ATOM 1741 CG2 ILE A 135 6.643 22.164 8.655 1.00 0.00 C ATOM 1742 CD1 ILE A 135 6.051 19.581 10.178 1.00 0.00 C ATOM 0 H ILE A 135 8.247 18.258 8.209 1.00 0.00 H new ATOM 0 HA ILE A 135 7.223 20.003 7.351 1.00 0.00 H new ATOM 0 HB ILE A 135 8.693 21.693 9.277 1.00 0.00 H new ATOM 0 HG12 ILE A 135 8.138 19.776 10.635 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.169 21.156 11.112 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.386 22.773 9.522 1.00 0.00 H new ATOM 0 HG22 ILE A 135 6.985 22.810 7.846 1.00 0.00 H new ATOM 0 HG23 ILE A 135 5.764 21.608 8.329 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.830 19.097 11.129 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.217 20.223 9.895 1.00 0.00 H new ATOM 0 HD13 ILE A 135 6.201 18.821 9.411 1.00 0.00 H new ATOM 1754 N SER A 136 9.272 20.229 5.647 1.00 0.00 N ATOM 1755 CA SER A 136 9.789 20.652 4.344 1.00 0.00 C ATOM 1756 C SER A 136 11.046 21.520 4.381 1.00 0.00 C ATOM 1757 O SER A 136 11.790 21.513 5.387 1.00 0.00 O ATOM 1758 CB SER A 136 8.659 21.278 3.513 1.00 0.00 C ATOM 1759 OG SER A 136 7.630 20.329 3.262 1.00 0.00 O ATOM 1760 OXT SER A 136 11.377 22.068 3.304 1.00 0.00 O ATOM 0 H SER A 136 9.205 19.213 5.710 1.00 0.00 H new ATOM 0 HA SER A 136 10.140 19.745 3.851 1.00 0.00 H new ATOM 0 HB2 SER A 136 8.246 22.137 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 136 9.058 21.647 2.568 1.00 0.00 H new ATOM 0 HG SER A 136 6.920 20.749 2.733 1.00 0.00 H new TER 1766 SER A 136