USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1057 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 42 MET CE :methyl -151:sc= -2.18 (180deg=-4.83!) USER MOD Set 1.2: A 49 TYR OH : rot 150:sc= -0.677 USER MOD Set 2.1: A 31 MET CE :methyl -151:sc= -0.407 (180deg=-1.44!) USER MOD Set 2.2: A 32 MET CE :methyl 157:sc= -0.135 (180deg=-0.712) USER MOD Single : A 1 MET CE :methyl -144:sc= -0.171 (180deg=-0.819) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0527 (180deg=-0.162) USER MOD Single : A 2 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.3) USER MOD Single : A 3 THR OG1 : rot -17:sc= 0.532 USER MOD Single : A 6 GLN :FLIP amide:sc= -4.89 F(o=-6.5!,f=-4.9) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.146 F(o=-0.8,f=-0.15) USER MOD Single : A 24 THR OG1 : rot 79:sc= 1.17 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -0.228 USER MOD Single : A 50 ASN :FLIP amide:sc=-0.00419 F(o=-0.74,f=-0.0042) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -1.56! C(o=-1.6!,f=-5.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 130:sc= -2.53! USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 174:sc= -4.94! (180deg=-5.37!) USER MOD Single : A 79 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.35) USER MOD Single : A 81 ASN : amide:sc= -7.69! C(o=-7.7!,f=-9.2!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN :FLIP amide:sc= -1.05 F(o=-1.6,f=-1.1) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS :FLIP no HD1:sc=-0.000934 F(o=-0.94,f=-0.00093) USER MOD Single : A 131 HIS : no HD1:sc= 0.477 K(o=0.48,f=-2.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.553 -4.229 17.900 1.00 0.00 N ATOM 2 CA MET A 1 -11.736 -2.991 17.815 1.00 0.00 C ATOM 3 C MET A 1 -10.347 -3.213 18.405 1.00 0.00 C ATOM 4 O MET A 1 -10.076 -4.252 19.006 1.00 0.00 O ATOM 5 CB MET A 1 -12.437 -1.847 18.550 1.00 0.00 C ATOM 6 CG MET A 1 -12.689 -2.131 20.022 1.00 0.00 C ATOM 7 SD MET A 1 -13.517 -0.767 20.862 1.00 0.00 S ATOM 8 CE MET A 1 -12.327 0.549 20.623 1.00 0.00 C ATOM 0 H1 MET A 1 -13.521 -3.986 18.191 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.577 -4.693 16.970 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.133 -4.875 18.599 1.00 0.00 H new ATOM 0 HA MET A 1 -11.625 -2.728 16.763 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.832 -0.945 18.461 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.389 -1.641 18.060 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.296 -3.032 20.115 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.739 -2.334 20.517 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.307 1.187 21.507 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.338 0.120 20.463 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.611 1.142 19.754 1.00 0.00 H new ATOM 20 N ASN A 2 -9.470 -2.228 18.229 1.00 0.00 N ATOM 21 CA ASN A 2 -8.106 -2.316 18.742 1.00 0.00 C ATOM 22 C ASN A 2 -7.970 -1.565 20.063 1.00 0.00 C ATOM 23 O ASN A 2 -8.474 -0.452 20.210 1.00 0.00 O ATOM 24 CB ASN A 2 -7.119 -1.756 17.717 1.00 0.00 C ATOM 25 CG ASN A 2 -7.398 -0.304 17.376 1.00 0.00 C ATOM 26 OD1 ASN A 2 -8.166 -0.006 16.462 1.00 0.00 O ATOM 27 ND2 ASN A 2 -6.771 0.607 18.111 1.00 0.00 N ATOM 0 H ASN A 2 -9.679 -1.360 17.735 1.00 0.00 H new ATOM 0 HA ASN A 2 -7.878 -3.367 18.920 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -6.105 -1.846 18.107 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -7.165 -2.355 16.808 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.918 1.600 17.927 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.143 0.314 18.859 1.00 0.00 H new ATOM 34 N THR A 3 -7.285 -2.182 21.021 1.00 0.00 N ATOM 35 CA THR A 3 -7.084 -1.572 22.331 1.00 0.00 C ATOM 36 C THR A 3 -5.657 -1.054 22.489 1.00 0.00 C ATOM 37 O THR A 3 -5.356 -0.315 23.427 1.00 0.00 O ATOM 38 CB THR A 3 -7.385 -2.566 23.469 1.00 0.00 C ATOM 39 OG1 THR A 3 -7.145 -1.945 24.738 1.00 0.00 O ATOM 40 CG2 THR A 3 -6.525 -3.815 23.343 1.00 0.00 C ATOM 0 H THR A 3 -6.860 -3.103 20.915 1.00 0.00 H new ATOM 0 HA THR A 3 -7.780 -0.735 22.395 1.00 0.00 H new ATOM 0 HB THR A 3 -8.433 -2.857 23.397 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.592 -1.146 24.612 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.757 -4.500 24.158 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.729 -4.303 22.390 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.472 -3.538 23.390 1.00 0.00 H new ATOM 48 N GLU A 4 -4.783 -1.446 21.566 1.00 0.00 N ATOM 49 CA GLU A 4 -3.388 -1.019 21.608 1.00 0.00 C ATOM 50 C GLU A 4 -3.210 0.341 20.942 1.00 0.00 C ATOM 51 O GLU A 4 -4.153 0.893 20.374 1.00 0.00 O ATOM 52 CB GLU A 4 -2.496 -2.057 20.925 1.00 0.00 C ATOM 53 CG GLU A 4 -2.518 -3.418 21.602 1.00 0.00 C ATOM 54 CD GLU A 4 -2.060 -3.358 23.047 1.00 0.00 C ATOM 55 OE1 GLU A 4 -0.833 -3.344 23.281 1.00 0.00 O ATOM 56 OE2 GLU A 4 -2.928 -3.324 23.943 1.00 0.00 O ATOM 0 H GLU A 4 -5.015 -2.056 20.783 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.095 -0.928 22.654 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.813 -2.171 19.888 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.471 -1.687 20.906 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.529 -3.823 21.562 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.877 -4.105 21.050 1.00 0.00 H new ATOM 63 N GLU A 5 -1.995 0.875 21.017 1.00 0.00 N ATOM 64 CA GLU A 5 -1.690 2.173 20.423 1.00 0.00 C ATOM 65 C GLU A 5 -0.254 2.214 19.909 1.00 0.00 C ATOM 66 O GLU A 5 0.697 2.129 20.686 1.00 0.00 O ATOM 67 CB GLU A 5 -1.910 3.289 21.448 1.00 0.00 C ATOM 68 CG GLU A 5 -1.451 4.658 20.970 1.00 0.00 C ATOM 69 CD GLU A 5 -2.102 5.073 19.665 1.00 0.00 C ATOM 70 OE1 GLU A 5 -3.228 5.612 19.709 1.00 0.00 O ATOM 71 OE2 GLU A 5 -1.486 4.860 18.600 1.00 0.00 O ATOM 0 H GLU A 5 -1.205 0.429 21.483 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.362 2.325 19.579 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.970 3.338 21.697 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.378 3.037 22.366 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.677 5.400 21.736 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.368 4.650 20.844 1.00 0.00 H new ATOM 78 N GLN A 6 -0.106 2.346 18.595 1.00 0.00 N ATOM 79 CA GLN A 6 1.215 2.403 17.978 1.00 0.00 C ATOM 80 C GLN A 6 1.624 3.848 17.687 1.00 0.00 C ATOM 81 O GLN A 6 0.917 4.576 16.991 1.00 0.00 O ATOM 82 CB GLN A 6 1.246 1.567 16.693 1.00 0.00 C ATOM 83 CG GLN A 6 -0.082 1.515 15.948 1.00 0.00 C ATOM 84 CD GLN A 6 -0.475 2.847 15.343 1.00 0.00 C ATOM 85 OE1 GLN A 6 0.018 3.119 14.140 1.00 0.00 O flip ATOM 86 NE2 GLN A 6 -1.208 3.627 15.952 1.00 0.00 N flip ATOM 0 H GLN A 6 -0.883 2.415 17.938 1.00 0.00 H new ATOM 0 HA GLN A 6 1.934 1.984 18.682 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.007 1.973 16.027 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.550 0.550 16.942 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.019 0.768 15.157 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.864 1.189 16.634 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.564 3.377 16.874 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.459 4.523 15.534 1.00 0.00 H new ATOM 95 N PRO A 7 2.776 4.284 18.228 1.00 0.00 N ATOM 96 CA PRO A 7 3.283 5.650 18.032 1.00 0.00 C ATOM 97 C PRO A 7 3.753 5.906 16.612 1.00 0.00 C ATOM 98 O PRO A 7 4.353 6.939 16.315 1.00 0.00 O ATOM 99 CB PRO A 7 4.473 5.742 18.991 1.00 0.00 C ATOM 100 CG PRO A 7 4.353 4.561 19.895 1.00 0.00 C ATOM 101 CD PRO A 7 3.668 3.498 19.090 1.00 0.00 C ATOM 0 HA PRO A 7 2.502 6.387 18.217 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.417 5.724 18.447 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.449 6.673 19.557 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.334 4.225 20.232 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.777 4.808 20.787 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.377 2.907 18.510 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.115 2.803 19.721 1.00 0.00 H new ATOM 109 N VAL A 8 3.478 4.957 15.749 1.00 0.00 N ATOM 110 CA VAL A 8 3.869 5.046 14.348 1.00 0.00 C ATOM 111 C VAL A 8 2.780 5.694 13.501 1.00 0.00 C ATOM 112 O VAL A 8 1.613 5.307 13.566 1.00 0.00 O ATOM 113 CB VAL A 8 4.184 3.653 13.775 1.00 0.00 C ATOM 114 CG1 VAL A 8 4.639 3.754 12.327 1.00 0.00 C ATOM 115 CG2 VAL A 8 5.232 2.956 14.628 1.00 0.00 C ATOM 0 H VAL A 8 2.979 4.101 15.990 1.00 0.00 H new ATOM 0 HA VAL A 8 4.763 5.668 14.310 1.00 0.00 H new ATOM 0 HB VAL A 8 3.272 3.056 13.797 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.856 2.757 11.943 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.850 4.209 11.729 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.538 4.368 12.270 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.445 1.972 14.211 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.146 3.550 14.640 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.858 2.845 15.646 1.00 0.00 H new ATOM 125 N THR A 9 3.177 6.679 12.700 1.00 0.00 N ATOM 126 CA THR A 9 2.246 7.387 11.829 1.00 0.00 C ATOM 127 C THR A 9 2.941 7.852 10.555 1.00 0.00 C ATOM 128 O THR A 9 4.076 8.326 10.596 1.00 0.00 O ATOM 129 CB THR A 9 1.626 8.611 12.529 1.00 0.00 C ATOM 130 OG1 THR A 9 2.661 9.484 12.997 1.00 0.00 O ATOM 131 CG2 THR A 9 0.747 8.189 13.697 1.00 0.00 C ATOM 0 H THR A 9 4.141 7.005 12.637 1.00 0.00 H new ATOM 0 HA THR A 9 1.452 6.682 11.582 1.00 0.00 H new ATOM 0 HB THR A 9 1.005 9.136 11.803 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.259 10.261 13.439 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.323 9.074 14.172 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.059 7.551 13.334 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.346 7.639 14.423 1.00 0.00 H new ATOM 139 N ALA A 10 2.254 7.717 9.427 1.00 0.00 N ATOM 140 CA ALA A 10 2.807 8.128 8.144 1.00 0.00 C ATOM 141 C ALA A 10 2.718 9.639 7.969 1.00 0.00 C ATOM 142 O ALA A 10 2.273 10.351 8.869 1.00 0.00 O ATOM 143 CB ALA A 10 2.086 7.419 7.008 1.00 0.00 C ATOM 0 H ALA A 10 1.313 7.326 9.376 1.00 0.00 H new ATOM 0 HA ALA A 10 3.860 7.847 8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.509 7.735 6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.205 6.341 7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.026 7.672 7.036 1.00 0.00 H new ATOM 149 N SER A 11 3.144 10.121 6.808 1.00 0.00 N ATOM 150 CA SER A 11 3.110 11.552 6.519 1.00 0.00 C ATOM 151 C SER A 11 3.159 11.808 5.016 1.00 0.00 C ATOM 152 O SER A 11 3.647 10.978 4.251 1.00 0.00 O ATOM 153 CB SER A 11 4.280 12.260 7.205 1.00 0.00 C ATOM 154 OG SER A 11 4.228 13.660 6.990 1.00 0.00 O ATOM 0 H SER A 11 3.516 9.545 6.053 1.00 0.00 H new ATOM 0 HA SER A 11 2.173 11.951 6.906 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.257 12.052 8.275 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.222 11.865 6.823 1.00 0.00 H new ATOM 0 HG SER A 11 4.986 14.088 7.440 1.00 0.00 H new ATOM 160 N LEU A 12 2.649 12.963 4.601 1.00 0.00 N ATOM 161 CA LEU A 12 2.634 13.325 3.191 1.00 0.00 C ATOM 162 C LEU A 12 3.882 14.122 2.823 1.00 0.00 C ATOM 163 O LEU A 12 4.100 15.224 3.328 1.00 0.00 O ATOM 164 CB LEU A 12 1.381 14.137 2.866 1.00 0.00 C ATOM 165 CG LEU A 12 1.086 14.297 1.375 1.00 0.00 C ATOM 166 CD1 LEU A 12 0.761 12.948 0.752 1.00 0.00 C ATOM 167 CD2 LEU A 12 -0.058 15.275 1.162 1.00 0.00 C ATOM 0 H LEU A 12 2.241 13.663 5.221 1.00 0.00 H new ATOM 0 HA LEU A 12 2.625 12.407 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.524 13.661 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.483 15.127 3.310 1.00 0.00 H new ATOM 0 HG LEU A 12 1.974 14.697 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.553 13.078 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.610 12.276 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.114 12.522 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.255 15.377 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.952 14.903 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.212 16.247 1.576 1.00 0.00 H new ATOM 179 N VAL A 13 4.695 13.556 1.938 1.00 0.00 N ATOM 180 CA VAL A 13 5.925 14.207 1.503 1.00 0.00 C ATOM 181 C VAL A 13 5.641 15.271 0.447 1.00 0.00 C ATOM 182 O VAL A 13 4.661 15.178 -0.293 1.00 0.00 O ATOM 183 CB VAL A 13 6.929 13.183 0.936 1.00 0.00 C ATOM 184 CG1 VAL A 13 8.252 13.856 0.599 1.00 0.00 C ATOM 185 CG2 VAL A 13 7.139 12.042 1.919 1.00 0.00 C ATOM 0 H VAL A 13 4.524 12.647 1.508 1.00 0.00 H new ATOM 0 HA VAL A 13 6.362 14.683 2.381 1.00 0.00 H new ATOM 0 HB VAL A 13 6.516 12.770 0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.946 13.116 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.085 14.634 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.674 14.301 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.850 11.329 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.529 12.437 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.189 11.541 2.103 1.00 0.00 H new ATOM 195 N ALA A 14 6.504 16.285 0.387 1.00 0.00 N ATOM 196 CA ALA A 14 6.351 17.368 -0.579 1.00 0.00 C ATOM 197 C ALA A 14 6.196 16.822 -1.993 1.00 0.00 C ATOM 198 O ALA A 14 6.599 15.696 -2.279 1.00 0.00 O ATOM 199 CB ALA A 14 7.542 18.311 -0.504 1.00 0.00 C ATOM 0 H ALA A 14 7.316 16.377 0.997 1.00 0.00 H new ATOM 0 HA ALA A 14 5.446 17.921 -0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.416 19.115 -1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.609 18.734 0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.456 17.761 -0.727 1.00 0.00 H new ATOM 205 N GLU A 15 5.611 17.626 -2.874 1.00 0.00 N ATOM 206 CA GLU A 15 5.401 17.214 -4.258 1.00 0.00 C ATOM 207 C GLU A 15 6.714 17.182 -5.034 1.00 0.00 C ATOM 208 O GLU A 15 6.861 16.415 -5.986 1.00 0.00 O ATOM 209 CB GLU A 15 4.394 18.140 -4.950 1.00 0.00 C ATOM 210 CG GLU A 15 4.658 19.623 -4.736 1.00 0.00 C ATOM 211 CD GLU A 15 5.891 20.116 -5.468 1.00 0.00 C ATOM 212 OE1 GLU A 15 5.955 19.952 -6.704 1.00 0.00 O ATOM 213 OE2 GLU A 15 6.792 20.668 -4.804 1.00 0.00 O ATOM 0 H GLU A 15 5.275 18.564 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 15 4.995 16.203 -4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.403 17.932 -6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.393 17.905 -4.588 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.791 20.193 -5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.774 19.816 -3.669 1.00 0.00 H new ATOM 220 N ALA A 16 7.668 18.015 -4.628 1.00 0.00 N ATOM 221 CA ALA A 16 8.964 18.071 -5.296 1.00 0.00 C ATOM 222 C ALA A 16 9.996 17.205 -4.582 1.00 0.00 C ATOM 223 O ALA A 16 11.115 17.033 -5.065 1.00 0.00 O ATOM 224 CB ALA A 16 9.454 19.508 -5.383 1.00 0.00 C ATOM 0 H ALA A 16 7.569 18.658 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 16 8.835 17.678 -6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.422 19.533 -5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.737 20.103 -5.949 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.555 19.920 -4.379 1.00 0.00 H new ATOM 230 N GLN A 17 9.616 16.662 -3.430 1.00 0.00 N ATOM 231 CA GLN A 17 10.516 15.817 -2.652 1.00 0.00 C ATOM 232 C GLN A 17 10.063 14.362 -2.687 1.00 0.00 C ATOM 233 O GLN A 17 10.824 13.456 -2.350 1.00 0.00 O ATOM 234 CB GLN A 17 10.585 16.309 -1.206 1.00 0.00 C ATOM 235 CG GLN A 17 11.163 17.708 -1.069 1.00 0.00 C ATOM 236 CD GLN A 17 12.592 17.797 -1.568 1.00 0.00 C ATOM 237 OE1 GLN A 17 12.752 18.056 -2.860 1.00 0.00 O flip ATOM 238 NE2 GLN A 17 13.541 17.629 -0.802 1.00 0.00 N flip ATOM 0 H GLN A 17 8.693 16.791 -3.015 1.00 0.00 H new ATOM 0 HA GLN A 17 11.509 15.878 -3.097 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.583 16.295 -0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.191 15.615 -0.623 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.543 18.410 -1.626 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.127 18.012 -0.023 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.372 17.432 0.184 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.497 17.687 -1.154 1.00 0.00 H new ATOM 247 N ARG A 18 8.817 14.148 -3.095 1.00 0.00 N ATOM 248 CA ARG A 18 8.261 12.803 -3.177 1.00 0.00 C ATOM 249 C ARG A 18 8.840 12.054 -4.372 1.00 0.00 C ATOM 250 O ARG A 18 8.903 10.825 -4.377 1.00 0.00 O ATOM 251 CB ARG A 18 6.736 12.865 -3.280 1.00 0.00 C ATOM 252 CG ARG A 18 6.239 13.606 -4.510 1.00 0.00 C ATOM 253 CD ARG A 18 4.721 13.611 -4.583 1.00 0.00 C ATOM 254 NE ARG A 18 4.180 12.278 -4.828 1.00 0.00 N ATOM 255 CZ ARG A 18 2.884 11.990 -4.796 1.00 0.00 C ATOM 256 NH1 ARG A 18 1.996 12.939 -4.525 1.00 0.00 N ATOM 257 NH2 ARG A 18 2.472 10.752 -5.034 1.00 0.00 N ATOM 0 H ARG A 18 8.173 14.888 -3.374 1.00 0.00 H new ATOM 0 HA ARG A 18 8.530 12.264 -2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.339 11.850 -3.293 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.339 13.351 -2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.607 14.632 -4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.646 13.138 -5.407 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.315 14.001 -3.650 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.399 14.284 -5.377 1.00 0.00 H new ATOM 0 HE ARG A 18 4.835 11.524 -5.036 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.309 13.892 -4.341 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.001 12.715 -4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.151 10.020 -5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.476 10.532 -5.009 1.00 0.00 H new ATOM 271 N LEU A 19 9.266 12.806 -5.382 1.00 0.00 N ATOM 272 CA LEU A 19 9.839 12.218 -6.587 1.00 0.00 C ATOM 273 C LEU A 19 11.211 11.613 -6.305 1.00 0.00 C ATOM 274 O LEU A 19 11.647 10.692 -6.996 1.00 0.00 O ATOM 275 CB LEU A 19 9.940 13.274 -7.691 1.00 0.00 C ATOM 276 CG LEU A 19 10.594 14.596 -7.277 1.00 0.00 C ATOM 277 CD1 LEU A 19 12.110 14.490 -7.333 1.00 0.00 C ATOM 278 CD2 LEU A 19 10.104 15.732 -8.161 1.00 0.00 C ATOM 0 H LEU A 19 9.225 13.825 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 19 9.180 11.416 -6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.505 12.853 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.937 13.485 -8.062 1.00 0.00 H new ATOM 0 HG LEU A 19 10.307 14.811 -6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.552 15.441 -7.035 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.445 13.705 -6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.421 14.248 -8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.579 16.664 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.359 15.521 -9.199 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.022 15.827 -8.065 1.00 0.00 H new ATOM 290 N ASP A 20 11.886 12.134 -5.285 1.00 0.00 N ATOM 291 CA ASP A 20 13.210 11.643 -4.914 1.00 0.00 C ATOM 292 C ASP A 20 13.134 10.777 -3.664 1.00 0.00 C ATOM 293 O ASP A 20 14.052 10.012 -3.372 1.00 0.00 O ATOM 294 CB ASP A 20 14.166 12.811 -4.673 1.00 0.00 C ATOM 295 CG ASP A 20 15.617 12.374 -4.636 1.00 0.00 C ATOM 296 OD1 ASP A 20 16.245 12.311 -5.714 1.00 0.00 O ATOM 297 OD2 ASP A 20 16.125 12.095 -3.530 1.00 0.00 O ATOM 0 H ASP A 20 11.539 12.895 -4.701 1.00 0.00 H new ATOM 0 HA ASP A 20 13.587 11.038 -5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.033 13.553 -5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.912 13.296 -3.731 1.00 0.00 H new ATOM 302 N PHE A 21 12.035 10.905 -2.931 1.00 0.00 N ATOM 303 CA PHE A 21 11.837 10.133 -1.713 1.00 0.00 C ATOM 304 C PHE A 21 11.701 8.654 -2.045 1.00 0.00 C ATOM 305 O PHE A 21 12.180 7.793 -1.307 1.00 0.00 O ATOM 306 CB PHE A 21 10.589 10.612 -0.978 1.00 0.00 C ATOM 307 CG PHE A 21 10.660 10.434 0.512 1.00 0.00 C ATOM 308 CD1 PHE A 21 11.191 11.430 1.315 1.00 0.00 C ATOM 309 CD2 PHE A 21 10.196 9.273 1.107 1.00 0.00 C ATOM 310 CE1 PHE A 21 11.258 11.271 2.686 1.00 0.00 C ATOM 311 CE2 PHE A 21 10.260 9.108 2.477 1.00 0.00 C ATOM 312 CZ PHE A 21 10.791 10.109 3.268 1.00 0.00 C ATOM 0 H PHE A 21 11.267 11.537 -3.160 1.00 0.00 H new ATOM 0 HA PHE A 21 12.704 10.276 -1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.429 11.667 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.723 10.070 -1.359 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.557 12.341 0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.780 8.488 0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.675 12.054 3.302 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.895 8.198 2.929 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.841 9.983 4.339 1.00 0.00 H new ATOM 322 N LEU A 22 11.037 8.367 -3.161 1.00 0.00 N ATOM 323 CA LEU A 22 10.843 6.992 -3.596 1.00 0.00 C ATOM 324 C LEU A 22 12.192 6.323 -3.854 1.00 0.00 C ATOM 325 O LEU A 22 12.491 5.290 -3.261 1.00 0.00 O ATOM 326 CB LEU A 22 9.963 6.941 -4.847 1.00 0.00 C ATOM 327 CG LEU A 22 9.174 5.642 -5.038 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.453 5.259 -3.754 1.00 0.00 C ATOM 329 CD2 LEU A 22 8.182 5.789 -6.182 1.00 0.00 C ATOM 0 H LEU A 22 10.626 9.068 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 22 10.334 6.445 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.259 7.773 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.594 7.096 -5.722 1.00 0.00 H new ATOM 0 HG LEU A 22 9.876 4.846 -5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.898 4.334 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.182 5.115 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.761 6.054 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.629 4.858 -6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.486 6.598 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.719 6.017 -7.103 1.00 0.00 H new ATOM 341 N PRO A 23 13.035 6.902 -4.737 1.00 0.00 N ATOM 342 CA PRO A 23 14.358 6.343 -5.023 1.00 0.00 C ATOM 343 C PRO A 23 15.260 6.426 -3.801 1.00 0.00 C ATOM 344 O PRO A 23 16.307 5.781 -3.735 1.00 0.00 O ATOM 345 CB PRO A 23 14.894 7.225 -6.154 1.00 0.00 C ATOM 346 CG PRO A 23 14.138 8.501 -6.034 1.00 0.00 C ATOM 347 CD PRO A 23 12.777 8.127 -5.520 1.00 0.00 C ATOM 0 HA PRO A 23 14.317 5.288 -5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.967 7.390 -6.052 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.734 6.761 -7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.638 9.188 -5.351 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.067 9.005 -6.998 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.349 8.917 -4.902 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.076 7.944 -6.334 1.00 0.00 H new ATOM 355 N THR A 24 14.837 7.234 -2.832 1.00 0.00 N ATOM 356 CA THR A 24 15.583 7.410 -1.595 1.00 0.00 C ATOM 357 C THR A 24 15.463 6.160 -0.738 1.00 0.00 C ATOM 358 O THR A 24 16.411 5.754 -0.064 1.00 0.00 O ATOM 359 CB THR A 24 15.074 8.633 -0.803 1.00 0.00 C ATOM 360 OG1 THR A 24 15.658 9.832 -1.325 1.00 0.00 O ATOM 361 CG2 THR A 24 15.401 8.505 0.676 1.00 0.00 C ATOM 0 H THR A 24 13.976 7.779 -2.883 1.00 0.00 H new ATOM 0 HA THR A 24 16.628 7.581 -1.852 1.00 0.00 H new ATOM 0 HB THR A 24 13.990 8.678 -0.911 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.186 10.097 -2.142 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.030 9.381 1.208 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.927 7.609 1.077 1.00 0.00 H new ATOM 0 HG23 THR A 24 16.481 8.433 0.805 1.00 0.00 H new ATOM 369 N TYR A 25 14.284 5.555 -0.780 1.00 0.00 N ATOM 370 CA TYR A 25 14.020 4.339 -0.028 1.00 0.00 C ATOM 371 C TYR A 25 13.653 3.210 -0.979 1.00 0.00 C ATOM 372 O TYR A 25 14.449 2.299 -1.207 1.00 0.00 O ATOM 373 CB TYR A 25 12.906 4.569 0.994 1.00 0.00 C ATOM 374 CG TYR A 25 13.329 5.448 2.150 1.00 0.00 C ATOM 375 CD1 TYR A 25 14.179 4.964 3.136 1.00 0.00 C ATOM 376 CD2 TYR A 25 12.885 6.759 2.252 1.00 0.00 C ATOM 377 CE1 TYR A 25 14.574 5.763 4.193 1.00 0.00 C ATOM 378 CE2 TYR A 25 13.274 7.564 3.306 1.00 0.00 C ATOM 379 CZ TYR A 25 14.119 7.062 4.274 1.00 0.00 C ATOM 380 OH TYR A 25 14.509 7.859 5.324 1.00 0.00 O ATOM 0 H TYR A 25 13.493 5.889 -1.330 1.00 0.00 H new ATOM 0 HA TYR A 25 14.923 4.059 0.515 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.051 5.024 0.494 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.573 3.606 1.381 1.00 0.00 H new ATOM 0 HD1 TYR A 25 14.537 3.947 3.076 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.225 7.157 1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 25 15.236 5.372 4.951 1.00 0.00 H new ATOM 0 HE2 TYR A 25 12.918 8.582 3.371 1.00 0.00 H new ATOM 0 HH TYR A 25 14.101 8.745 5.231 1.00 0.00 H new ATOM 390 N PHE A 26 12.437 3.271 -1.521 1.00 0.00 N ATOM 391 CA PHE A 26 11.965 2.263 -2.468 1.00 0.00 C ATOM 392 C PHE A 26 13.079 1.867 -3.426 1.00 0.00 C ATOM 393 O PHE A 26 13.258 0.691 -3.741 1.00 0.00 O ATOM 394 CB PHE A 26 10.768 2.798 -3.257 1.00 0.00 C ATOM 395 CG PHE A 26 9.470 2.111 -2.935 1.00 0.00 C ATOM 396 CD1 PHE A 26 8.977 2.098 -1.641 1.00 0.00 C ATOM 397 CD2 PHE A 26 8.743 1.480 -3.932 1.00 0.00 C ATOM 398 CE1 PHE A 26 7.783 1.469 -1.345 1.00 0.00 C ATOM 399 CE2 PHE A 26 7.548 0.849 -3.643 1.00 0.00 C ATOM 400 CZ PHE A 26 7.068 0.843 -2.347 1.00 0.00 C ATOM 0 H PHE A 26 11.761 4.008 -1.320 1.00 0.00 H new ATOM 0 HA PHE A 26 11.656 1.382 -1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.662 3.865 -3.059 1.00 0.00 H new ATOM 0 HB3 PHE A 26 10.970 2.690 -4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 26 9.533 2.585 -0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 26 9.115 1.481 -4.946 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.409 1.467 -0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.990 0.361 -4.429 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.135 0.349 -2.118 1.00 0.00 H new ATOM 410 N GLY A 27 13.828 2.864 -3.874 1.00 0.00 N ATOM 411 CA GLY A 27 14.927 2.617 -4.786 1.00 0.00 C ATOM 412 C GLY A 27 14.710 3.267 -6.137 1.00 0.00 C ATOM 413 O GLY A 27 13.589 3.278 -6.645 1.00 0.00 O ATOM 0 H GLY A 27 13.694 3.843 -3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.851 2.994 -4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.052 1.542 -4.918 1.00 0.00 H new ATOM 417 N PRO A 28 15.769 3.823 -6.748 1.00 0.00 N ATOM 418 CA PRO A 28 15.669 4.476 -8.055 1.00 0.00 C ATOM 419 C PRO A 28 15.157 3.523 -9.127 1.00 0.00 C ATOM 420 O PRO A 28 14.786 3.944 -10.222 1.00 0.00 O ATOM 421 CB PRO A 28 17.108 4.913 -8.363 1.00 0.00 C ATOM 422 CG PRO A 28 17.966 4.099 -7.453 1.00 0.00 C ATOM 423 CD PRO A 28 17.143 3.856 -6.223 1.00 0.00 C ATOM 0 HA PRO A 28 14.963 5.306 -8.042 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.360 4.732 -9.408 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.243 5.979 -8.183 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.253 3.159 -7.924 1.00 0.00 H new ATOM 0 HG3 PRO A 28 18.888 4.627 -7.209 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.412 2.919 -5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.275 4.648 -5.486 1.00 0.00 H new ATOM 431 N ARG A 29 15.154 2.234 -8.804 1.00 0.00 N ATOM 432 CA ARG A 29 14.678 1.220 -9.733 1.00 0.00 C ATOM 433 C ARG A 29 13.259 0.776 -9.394 1.00 0.00 C ATOM 434 O ARG A 29 12.430 0.600 -10.287 1.00 0.00 O ATOM 435 CB ARG A 29 15.615 0.008 -9.725 1.00 0.00 C ATOM 436 CG ARG A 29 15.062 -1.195 -10.477 1.00 0.00 C ATOM 437 CD ARG A 29 14.771 -0.862 -11.933 1.00 0.00 C ATOM 438 NE ARG A 29 14.008 -1.916 -12.596 1.00 0.00 N ATOM 439 CZ ARG A 29 14.000 -2.101 -13.913 1.00 0.00 C ATOM 440 NH1 ARG A 29 14.712 -1.308 -14.703 1.00 0.00 N ATOM 441 NH2 ARG A 29 13.279 -3.081 -14.442 1.00 0.00 N ATOM 0 H ARG A 29 15.475 1.869 -7.907 1.00 0.00 H new ATOM 0 HA ARG A 29 14.669 1.663 -10.729 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.570 0.294 -10.166 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.815 -0.280 -8.693 1.00 0.00 H new ATOM 0 HG2 ARG A 29 15.777 -2.016 -10.427 1.00 0.00 H new ATOM 0 HG3 ARG A 29 14.148 -1.539 -9.992 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.216 0.075 -11.986 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.710 -0.707 -12.464 1.00 0.00 H new ATOM 0 HE ARG A 29 13.451 -2.545 -12.017 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.268 -0.553 -14.301 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.703 -1.453 -15.713 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.730 -3.693 -13.839 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.273 -3.222 -15.452 1.00 0.00 H new ATOM 455 N LEU A 30 12.975 0.594 -8.105 1.00 0.00 N ATOM 456 CA LEU A 30 11.658 0.149 -7.660 1.00 0.00 C ATOM 457 C LEU A 30 10.581 1.198 -7.891 1.00 0.00 C ATOM 458 O LEU A 30 9.421 0.857 -8.080 1.00 0.00 O ATOM 459 CB LEU A 30 11.708 -0.203 -6.172 1.00 0.00 C ATOM 460 CG LEU A 30 12.200 -1.616 -5.850 1.00 0.00 C ATOM 461 CD1 LEU A 30 13.681 -1.753 -6.174 1.00 0.00 C ATOM 462 CD2 LEU A 30 11.941 -1.944 -4.387 1.00 0.00 C ATOM 0 H LEU A 30 13.643 0.749 -7.350 1.00 0.00 H new ATOM 0 HA LEU A 30 11.398 -0.728 -8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.357 0.513 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.710 -0.079 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 30 11.648 -2.325 -6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.013 -2.764 -5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.841 -1.556 -7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.251 -1.037 -5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.296 -2.952 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.470 -1.230 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.872 -1.885 -4.185 1.00 0.00 H new ATOM 474 N MET A 31 10.962 2.468 -7.841 1.00 0.00 N ATOM 475 CA MET A 31 10.019 3.568 -8.041 1.00 0.00 C ATOM 476 C MET A 31 8.911 3.220 -9.036 1.00 0.00 C ATOM 477 O MET A 31 7.770 3.650 -8.872 1.00 0.00 O ATOM 478 CB MET A 31 10.765 4.814 -8.511 1.00 0.00 C ATOM 479 CG MET A 31 11.992 4.497 -9.349 1.00 0.00 C ATOM 480 SD MET A 31 12.450 5.846 -10.454 1.00 0.00 S ATOM 481 CE MET A 31 10.975 5.978 -11.462 1.00 0.00 C ATOM 0 H MET A 31 11.921 2.766 -7.663 1.00 0.00 H new ATOM 0 HA MET A 31 9.541 3.759 -7.080 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.087 5.438 -9.093 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.068 5.398 -7.642 1.00 0.00 H new ATOM 0 HG2 MET A 31 12.830 4.274 -8.688 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.802 3.599 -9.938 1.00 0.00 H new ATOM 0 HE1 MET A 31 11.243 6.348 -12.452 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.509 4.997 -11.555 1.00 0.00 H new ATOM 0 HE3 MET A 31 10.275 6.669 -10.993 1.00 0.00 H new ATOM 491 N MET A 32 9.247 2.444 -10.058 1.00 0.00 N ATOM 492 CA MET A 32 8.273 2.043 -11.066 1.00 0.00 C ATOM 493 C MET A 32 7.846 0.596 -10.841 1.00 0.00 C ATOM 494 O MET A 32 6.689 0.236 -11.057 1.00 0.00 O ATOM 495 CB MET A 32 8.865 2.204 -12.467 1.00 0.00 C ATOM 496 CG MET A 32 9.990 1.226 -12.767 1.00 0.00 C ATOM 497 SD MET A 32 10.825 1.576 -14.325 1.00 0.00 S ATOM 498 CE MET A 32 11.592 3.151 -13.950 1.00 0.00 C ATOM 0 H MET A 32 10.187 2.079 -10.211 1.00 0.00 H new ATOM 0 HA MET A 32 7.397 2.685 -10.979 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.073 2.072 -13.205 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.239 3.222 -12.580 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.717 1.256 -11.956 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.587 0.214 -12.796 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.444 3.308 -14.612 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.867 3.952 -14.095 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.932 3.153 -12.914 1.00 0.00 H new ATOM 508 N ARG A 33 8.796 -0.225 -10.407 1.00 0.00 N ATOM 509 CA ARG A 33 8.537 -1.635 -10.148 1.00 0.00 C ATOM 510 C ARG A 33 7.652 -1.822 -8.918 1.00 0.00 C ATOM 511 O ARG A 33 7.142 -2.915 -8.676 1.00 0.00 O ATOM 512 CB ARG A 33 9.859 -2.384 -9.951 1.00 0.00 C ATOM 513 CG ARG A 33 10.843 -2.201 -11.095 1.00 0.00 C ATOM 514 CD ARG A 33 10.322 -2.809 -12.386 1.00 0.00 C ATOM 515 NE ARG A 33 10.093 -4.246 -12.259 1.00 0.00 N ATOM 516 CZ ARG A 33 9.790 -5.038 -13.284 1.00 0.00 C ATOM 517 NH1 ARG A 33 9.680 -4.533 -14.506 1.00 0.00 N ATOM 518 NH2 ARG A 33 9.596 -6.335 -13.087 1.00 0.00 N ATOM 0 H ARG A 33 9.757 0.065 -10.227 1.00 0.00 H new ATOM 0 HA ARG A 33 8.011 -2.042 -11.011 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.324 -2.044 -9.026 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.649 -3.447 -9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.034 -1.138 -11.244 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.795 -2.663 -10.834 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.392 -2.317 -12.669 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.037 -2.625 -13.188 1.00 0.00 H new ATOM 0 HE ARG A 33 10.170 -4.666 -11.333 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.828 -3.536 -14.661 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.448 -5.142 -15.291 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.679 -6.726 -12.149 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.364 -6.941 -13.874 1.00 0.00 H new ATOM 532 N GLY A 34 7.473 -0.754 -8.142 1.00 0.00 N ATOM 533 CA GLY A 34 6.657 -0.840 -6.947 1.00 0.00 C ATOM 534 C GLY A 34 5.346 -0.094 -7.081 1.00 0.00 C ATOM 535 O GLY A 34 4.293 -0.611 -6.709 1.00 0.00 O ATOM 0 H GLY A 34 7.878 0.165 -8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.453 -1.888 -6.725 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.215 -0.438 -6.101 1.00 0.00 H new ATOM 539 N GLU A 35 5.407 1.123 -7.614 1.00 0.00 N ATOM 540 CA GLU A 35 4.207 1.930 -7.793 1.00 0.00 C ATOM 541 C GLU A 35 3.204 1.193 -8.668 1.00 0.00 C ATOM 542 O GLU A 35 1.993 1.303 -8.475 1.00 0.00 O ATOM 543 CB GLU A 35 4.551 3.285 -8.419 1.00 0.00 C ATOM 544 CG GLU A 35 5.028 3.191 -9.860 1.00 0.00 C ATOM 545 CD GLU A 35 5.184 4.550 -10.514 1.00 0.00 C ATOM 546 OE1 GLU A 35 4.182 5.069 -11.049 1.00 0.00 O ATOM 547 OE2 GLU A 35 6.307 5.096 -10.492 1.00 0.00 O ATOM 0 H GLU A 35 6.269 1.569 -7.927 1.00 0.00 H new ATOM 0 HA GLU A 35 3.764 2.105 -6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.671 3.928 -8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.325 3.766 -7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.983 2.667 -9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.319 2.595 -10.435 1.00 0.00 H new ATOM 554 N ALA A 36 3.720 0.438 -9.634 1.00 0.00 N ATOM 555 CA ALA A 36 2.871 -0.325 -10.542 1.00 0.00 C ATOM 556 C ALA A 36 2.292 -1.565 -9.862 1.00 0.00 C ATOM 557 O ALA A 36 1.203 -2.021 -10.210 1.00 0.00 O ATOM 558 CB ALA A 36 3.659 -0.723 -11.781 1.00 0.00 C ATOM 0 H ALA A 36 4.720 0.339 -9.807 1.00 0.00 H new ATOM 0 HA ALA A 36 2.036 0.312 -10.835 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.017 -1.292 -12.453 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.013 0.173 -12.290 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.512 -1.335 -11.489 1.00 0.00 H new ATOM 564 N LEU A 37 3.026 -2.111 -8.898 1.00 0.00 N ATOM 565 CA LEU A 37 2.585 -3.307 -8.184 1.00 0.00 C ATOM 566 C LEU A 37 1.452 -3.007 -7.205 1.00 0.00 C ATOM 567 O LEU A 37 0.543 -3.818 -7.034 1.00 0.00 O ATOM 568 CB LEU A 37 3.755 -3.933 -7.430 1.00 0.00 C ATOM 569 CG LEU A 37 3.944 -5.432 -7.665 1.00 0.00 C ATOM 570 CD1 LEU A 37 4.812 -5.674 -8.892 1.00 0.00 C ATOM 571 CD2 LEU A 37 4.557 -6.088 -6.438 1.00 0.00 C ATOM 0 H LEU A 37 3.928 -1.746 -8.592 1.00 0.00 H new ATOM 0 HA LEU A 37 2.208 -4.006 -8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.671 -3.417 -7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.614 -3.762 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 37 2.967 -5.880 -7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.936 -6.746 -9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.334 -5.236 -9.768 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.789 -5.213 -8.743 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.685 -7.155 -6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.527 -5.637 -6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.899 -5.944 -5.581 1.00 0.00 H new ATOM 583 N VAL A 38 1.505 -1.843 -6.564 1.00 0.00 N ATOM 584 CA VAL A 38 0.479 -1.470 -5.595 1.00 0.00 C ATOM 585 C VAL A 38 -0.846 -1.186 -6.288 1.00 0.00 C ATOM 586 O VAL A 38 -1.910 -1.569 -5.801 1.00 0.00 O ATOM 587 CB VAL A 38 0.889 -0.243 -4.754 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.329 -0.377 -4.286 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.696 1.045 -5.537 1.00 0.00 C ATOM 0 H VAL A 38 2.240 -1.148 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 38 0.364 -2.320 -4.923 1.00 0.00 H new ATOM 0 HB VAL A 38 0.243 -0.201 -3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.602 0.497 -3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.431 -1.275 -3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.988 -0.449 -5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.993 1.894 -4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.310 1.019 -6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.353 1.148 -5.815 1.00 0.00 H new ATOM 599 N TYR A 39 -0.776 -0.508 -7.429 1.00 0.00 N ATOM 600 CA TYR A 39 -1.970 -0.176 -8.191 1.00 0.00 C ATOM 601 C TYR A 39 -2.494 -1.403 -8.930 1.00 0.00 C ATOM 602 O TYR A 39 -3.675 -1.482 -9.267 1.00 0.00 O ATOM 603 CB TYR A 39 -1.672 0.968 -9.168 1.00 0.00 C ATOM 604 CG TYR A 39 -1.734 0.581 -10.630 1.00 0.00 C ATOM 605 CD1 TYR A 39 -0.629 0.037 -11.270 1.00 0.00 C ATOM 606 CD2 TYR A 39 -2.897 0.762 -11.367 1.00 0.00 C ATOM 607 CE1 TYR A 39 -0.680 -0.315 -12.605 1.00 0.00 C ATOM 608 CE2 TYR A 39 -2.957 0.413 -12.703 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.846 -0.126 -13.316 1.00 0.00 C ATOM 610 OH TYR A 39 -1.901 -0.475 -14.646 1.00 0.00 O ATOM 0 H TYR A 39 0.095 -0.179 -7.844 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.746 0.155 -7.500 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.382 1.775 -8.989 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.679 1.363 -8.952 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.285 -0.114 -10.715 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.769 1.182 -10.888 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.189 -0.736 -13.089 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.868 0.562 -13.263 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.794 -0.279 -14.999 1.00 0.00 H new ATOM 620 N ALA A 40 -1.603 -2.360 -9.177 1.00 0.00 N ATOM 621 CA ALA A 40 -1.975 -3.589 -9.866 1.00 0.00 C ATOM 622 C ALA A 40 -3.007 -4.362 -9.056 1.00 0.00 C ATOM 623 O ALA A 40 -3.957 -4.919 -9.608 1.00 0.00 O ATOM 624 CB ALA A 40 -0.744 -4.447 -10.118 1.00 0.00 C ATOM 0 H ALA A 40 -0.620 -2.307 -8.910 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.418 -3.328 -10.827 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.037 -5.362 -10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.035 -3.894 -10.735 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.276 -4.701 -9.167 1.00 0.00 H new ATOM 630 N TRP A 41 -2.811 -4.393 -7.742 1.00 0.00 N ATOM 631 CA TRP A 41 -3.727 -5.087 -6.845 1.00 0.00 C ATOM 632 C TRP A 41 -5.006 -4.278 -6.651 1.00 0.00 C ATOM 633 O TRP A 41 -6.087 -4.838 -6.474 1.00 0.00 O ATOM 634 CB TRP A 41 -3.059 -5.331 -5.491 1.00 0.00 C ATOM 635 CG TRP A 41 -2.007 -6.398 -5.521 1.00 0.00 C ATOM 636 CD1 TRP A 41 -0.659 -6.218 -5.637 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.219 -7.811 -5.430 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.018 -7.434 -5.622 1.00 0.00 N ATOM 639 CE2 TRP A 41 -0.955 -8.427 -5.496 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.354 -8.615 -5.298 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -0.798 -9.810 -5.434 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.196 -9.987 -5.237 1.00 0.00 C ATOM 643 CH2 TRP A 41 -1.926 -10.572 -5.304 1.00 0.00 C ATOM 0 H TRP A 41 -2.024 -3.944 -7.274 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.984 -6.046 -7.295 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.610 -4.400 -5.145 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.823 -5.607 -4.764 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.168 -5.260 -5.727 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.990 -7.575 -5.693 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.338 -8.172 -5.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.180 -10.264 -5.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.067 -10.618 -5.136 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.835 -11.647 -5.252 1.00 0.00 H new ATOM 654 N MET A 42 -4.869 -2.955 -6.682 1.00 0.00 N ATOM 655 CA MET A 42 -6.004 -2.059 -6.504 1.00 0.00 C ATOM 656 C MET A 42 -7.064 -2.283 -7.581 1.00 0.00 C ATOM 657 O MET A 42 -8.254 -2.385 -7.282 1.00 0.00 O ATOM 658 CB MET A 42 -5.525 -0.608 -6.538 1.00 0.00 C ATOM 659 CG MET A 42 -6.480 0.363 -5.872 1.00 0.00 C ATOM 660 SD MET A 42 -6.754 -0.019 -4.133 1.00 0.00 S ATOM 661 CE MET A 42 -7.646 1.441 -3.612 1.00 0.00 C ATOM 0 H MET A 42 -3.979 -2.480 -6.829 1.00 0.00 H new ATOM 0 HA MET A 42 -6.458 -2.273 -5.536 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.554 -0.543 -6.047 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.379 -0.307 -7.575 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.084 1.375 -5.960 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.434 0.347 -6.399 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.452 1.628 -2.556 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.316 2.298 -4.199 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.715 1.288 -3.763 1.00 0.00 H new ATOM 671 N ARG A 43 -6.623 -2.355 -8.833 1.00 0.00 N ATOM 672 CA ARG A 43 -7.539 -2.561 -9.951 1.00 0.00 C ATOM 673 C ARG A 43 -8.169 -3.951 -9.893 1.00 0.00 C ATOM 674 O ARG A 43 -9.162 -4.221 -10.571 1.00 0.00 O ATOM 675 CB ARG A 43 -6.818 -2.359 -11.284 1.00 0.00 C ATOM 676 CG ARG A 43 -5.726 -3.377 -11.554 1.00 0.00 C ATOM 677 CD ARG A 43 -5.018 -3.086 -12.866 1.00 0.00 C ATOM 678 NE ARG A 43 -5.945 -3.073 -13.995 1.00 0.00 N ATOM 679 CZ ARG A 43 -5.593 -3.367 -15.243 1.00 0.00 C ATOM 680 NH1 ARG A 43 -4.341 -3.705 -15.521 1.00 0.00 N ATOM 681 NH2 ARG A 43 -6.495 -3.326 -16.214 1.00 0.00 N ATOM 0 H ARG A 43 -5.642 -2.274 -9.099 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.336 -1.822 -9.872 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.549 -2.403 -12.091 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.382 -1.360 -11.302 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.004 -3.365 -10.737 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.157 -4.378 -11.584 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.513 -2.122 -12.800 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.248 -3.838 -13.037 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.918 -2.824 -13.816 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.645 -3.740 -14.776 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.074 -3.930 -16.479 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.459 -3.069 -16.004 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.224 -3.552 -17.171 1.00 0.00 H new ATOM 695 N ARG A 44 -7.588 -4.828 -9.081 1.00 0.00 N ATOM 696 CA ARG A 44 -8.104 -6.184 -8.921 1.00 0.00 C ATOM 697 C ARG A 44 -9.253 -6.203 -7.919 1.00 0.00 C ATOM 698 O ARG A 44 -10.053 -7.139 -7.886 1.00 0.00 O ATOM 699 CB ARG A 44 -6.993 -7.127 -8.451 1.00 0.00 C ATOM 700 CG ARG A 44 -5.907 -7.367 -9.486 1.00 0.00 C ATOM 701 CD ARG A 44 -4.859 -8.341 -8.969 1.00 0.00 C ATOM 702 NE ARG A 44 -3.797 -8.575 -9.944 1.00 0.00 N ATOM 703 CZ ARG A 44 -2.824 -9.466 -9.773 1.00 0.00 C ATOM 704 NH1 ARG A 44 -2.779 -10.198 -8.667 1.00 0.00 N ATOM 705 NH2 ARG A 44 -1.896 -9.625 -10.705 1.00 0.00 N ATOM 0 H ARG A 44 -6.759 -4.624 -8.523 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.473 -6.524 -9.889 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.538 -6.715 -7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.436 -8.084 -8.175 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.353 -7.760 -10.400 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.432 -6.421 -9.744 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.425 -7.951 -8.048 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.337 -9.288 -8.720 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.802 -8.025 -10.803 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.491 -10.078 -7.947 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.032 -10.881 -8.537 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.926 -9.064 -11.556 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.151 -10.309 -10.571 1.00 0.00 H new ATOM 719 N LEU A 45 -9.322 -5.156 -7.102 1.00 0.00 N ATOM 720 CA LEU A 45 -10.361 -5.033 -6.089 1.00 0.00 C ATOM 721 C LEU A 45 -11.660 -4.486 -6.676 1.00 0.00 C ATOM 722 O LEU A 45 -12.747 -4.797 -6.191 1.00 0.00 O ATOM 723 CB LEU A 45 -9.892 -4.123 -4.958 1.00 0.00 C ATOM 724 CG LEU A 45 -8.466 -4.376 -4.466 1.00 0.00 C ATOM 725 CD1 LEU A 45 -8.048 -3.306 -3.470 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.352 -5.759 -3.843 1.00 0.00 C ATOM 0 H LEU A 45 -8.665 -4.376 -7.124 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.556 -6.032 -5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.966 -3.088 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.575 -4.236 -4.116 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.794 -4.330 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.031 -3.502 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.089 -2.328 -3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.725 -3.320 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.330 -5.920 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.036 -5.835 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.608 -6.515 -4.585 1.00 0.00 H new ATOM 738 N CYS A 46 -11.548 -3.673 -7.722 1.00 0.00 N ATOM 739 CA CYS A 46 -12.725 -3.089 -8.360 1.00 0.00 C ATOM 740 C CYS A 46 -12.696 -3.328 -9.868 1.00 0.00 C ATOM 741 O CYS A 46 -11.642 -3.253 -10.499 1.00 0.00 O ATOM 742 CB CYS A 46 -12.799 -1.590 -8.071 1.00 0.00 C ATOM 743 SG CYS A 46 -14.220 -0.763 -8.821 1.00 0.00 S ATOM 0 H CYS A 46 -10.660 -3.404 -8.145 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.610 -3.573 -7.948 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.833 -1.440 -6.992 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.885 -1.116 -8.430 1.00 0.00 H new ATOM 0 HG CYS A 46 -14.196 0.501 -8.518 1.00 0.00 H new ATOM 749 N GLU A 47 -13.863 -3.613 -10.440 1.00 0.00 N ATOM 750 CA GLU A 47 -13.976 -3.863 -11.874 1.00 0.00 C ATOM 751 C GLU A 47 -14.046 -2.550 -12.645 1.00 0.00 C ATOM 752 O GLU A 47 -13.749 -2.499 -13.838 1.00 0.00 O ATOM 753 CB GLU A 47 -15.219 -4.704 -12.168 1.00 0.00 C ATOM 754 CG GLU A 47 -16.520 -4.000 -11.818 1.00 0.00 C ATOM 755 CD GLU A 47 -17.739 -4.854 -12.102 1.00 0.00 C ATOM 756 OE1 GLU A 47 -18.161 -4.915 -13.276 1.00 0.00 O ATOM 757 OE2 GLU A 47 -18.272 -5.463 -11.151 1.00 0.00 O ATOM 0 H GLU A 47 -14.745 -3.677 -9.931 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.090 -4.410 -12.196 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.229 -4.966 -13.226 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.158 -5.638 -11.609 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.509 -3.728 -10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.591 -3.072 -12.385 1.00 0.00 H new ATOM 764 N ARG A 48 -14.442 -1.492 -11.947 1.00 0.00 N ATOM 765 CA ARG A 48 -14.552 -0.169 -12.545 1.00 0.00 C ATOM 766 C ARG A 48 -13.557 0.781 -11.890 1.00 0.00 C ATOM 767 O ARG A 48 -13.910 1.884 -11.469 1.00 0.00 O ATOM 768 CB ARG A 48 -15.980 0.364 -12.395 1.00 0.00 C ATOM 769 CG ARG A 48 -16.453 0.445 -10.952 1.00 0.00 C ATOM 770 CD ARG A 48 -17.893 0.922 -10.861 1.00 0.00 C ATOM 771 NE ARG A 48 -18.080 2.224 -11.494 1.00 0.00 N ATOM 772 CZ ARG A 48 -19.240 2.874 -11.518 1.00 0.00 C ATOM 773 NH1 ARG A 48 -20.312 2.346 -10.944 1.00 0.00 N ATOM 774 NH2 ARG A 48 -19.328 4.054 -12.117 1.00 0.00 N ATOM 0 H ARG A 48 -14.694 -1.527 -10.959 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.321 -0.240 -13.608 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.037 1.356 -12.843 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.659 -0.279 -12.955 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.364 -0.535 -10.484 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.808 1.125 -10.395 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -18.547 0.191 -11.336 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -18.189 0.982 -9.814 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.275 2.660 -11.944 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.249 1.439 -10.482 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.200 2.847 -10.964 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.506 4.464 -12.560 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.218 4.552 -12.135 1.00 0.00 H new ATOM 788 N TYR A 49 -12.304 0.342 -11.817 1.00 0.00 N ATOM 789 CA TYR A 49 -11.245 1.129 -11.199 1.00 0.00 C ATOM 790 C TYR A 49 -10.242 1.618 -12.238 1.00 0.00 C ATOM 791 O TYR A 49 -9.307 0.899 -12.596 1.00 0.00 O ATOM 792 CB TYR A 49 -10.524 0.286 -10.149 1.00 0.00 C ATOM 793 CG TYR A 49 -9.819 1.099 -9.093 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.680 1.836 -9.393 1.00 0.00 C ATOM 795 CD2 TYR A 49 -10.294 1.124 -7.791 1.00 0.00 C ATOM 796 CE1 TYR A 49 -8.037 2.578 -8.422 1.00 0.00 C ATOM 797 CE2 TYR A 49 -9.659 1.862 -6.815 1.00 0.00 C ATOM 798 CZ TYR A 49 -8.531 2.589 -7.134 1.00 0.00 C ATOM 799 OH TYR A 49 -7.892 3.324 -6.162 1.00 0.00 O ATOM 0 H TYR A 49 -11.997 -0.560 -12.181 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.700 2.000 -10.727 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.247 -0.371 -9.666 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.796 -0.354 -10.648 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.292 1.828 -10.401 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.177 0.556 -7.537 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.153 3.146 -8.669 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.043 1.871 -5.806 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.545 3.624 -5.496 1.00 0.00 H new ATOM 809 N ASN A 50 -10.440 2.837 -12.727 1.00 0.00 N ATOM 810 CA ASN A 50 -9.541 3.417 -13.719 1.00 0.00 C ATOM 811 C ASN A 50 -8.168 3.707 -13.114 1.00 0.00 C ATOM 812 O ASN A 50 -7.156 3.172 -13.565 1.00 0.00 O ATOM 813 CB ASN A 50 -10.143 4.703 -14.290 1.00 0.00 C ATOM 814 CG ASN A 50 -11.534 4.494 -14.858 1.00 0.00 C ATOM 815 OD1 ASN A 50 -11.790 3.300 -15.383 1.00 0.00 O flip ATOM 816 ND2 ASN A 50 -12.370 5.396 -14.827 1.00 0.00 N flip ATOM 0 H ASN A 50 -11.214 3.442 -12.453 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.414 2.693 -14.524 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.184 5.459 -13.506 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.490 5.090 -15.072 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.132 6.298 -14.415 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.301 5.242 -15.214 1.00 0.00 H new ATOM 823 N GLY A 51 -8.141 4.560 -12.090 1.00 0.00 N ATOM 824 CA GLY A 51 -6.884 4.904 -11.444 1.00 0.00 C ATOM 825 C GLY A 51 -7.017 6.081 -10.496 1.00 0.00 C ATOM 826 O GLY A 51 -8.122 6.564 -10.246 1.00 0.00 O ATOM 0 H GLY A 51 -8.964 5.017 -11.698 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.514 4.039 -10.893 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.141 5.138 -12.206 1.00 0.00 H new ATOM 830 N ALA A 52 -5.884 6.547 -9.970 1.00 0.00 N ATOM 831 CA ALA A 52 -5.871 7.675 -9.042 1.00 0.00 C ATOM 832 C ALA A 52 -4.442 8.084 -8.687 1.00 0.00 C ATOM 833 O ALA A 52 -3.479 7.457 -9.130 1.00 0.00 O ATOM 834 CB ALA A 52 -6.649 7.329 -7.781 1.00 0.00 C ATOM 0 H ALA A 52 -4.963 6.159 -10.172 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.351 8.521 -9.534 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.631 8.178 -7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.681 7.095 -8.043 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.193 6.465 -7.298 1.00 0.00 H new ATOM 840 N TYR A 53 -4.314 9.142 -7.887 1.00 0.00 N ATOM 841 CA TYR A 53 -3.006 9.637 -7.471 1.00 0.00 C ATOM 842 C TYR A 53 -2.559 8.997 -6.160 1.00 0.00 C ATOM 843 O TYR A 53 -2.962 9.425 -5.079 1.00 0.00 O ATOM 844 CB TYR A 53 -3.042 11.157 -7.317 1.00 0.00 C ATOM 845 CG TYR A 53 -2.869 11.902 -8.619 1.00 0.00 C ATOM 846 CD1 TYR A 53 -1.700 11.778 -9.357 1.00 0.00 C ATOM 847 CD2 TYR A 53 -3.872 12.728 -9.107 1.00 0.00 C ATOM 848 CE1 TYR A 53 -1.535 12.458 -10.548 1.00 0.00 C ATOM 849 CE2 TYR A 53 -3.715 13.412 -10.299 1.00 0.00 C ATOM 850 CZ TYR A 53 -2.545 13.273 -11.015 1.00 0.00 C ATOM 851 OH TYR A 53 -2.384 13.953 -12.201 1.00 0.00 O ATOM 0 H TYR A 53 -5.102 9.672 -7.515 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.287 9.367 -8.245 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.992 11.446 -6.867 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.256 11.462 -6.626 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.907 11.140 -8.995 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.789 12.838 -8.547 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.619 12.352 -11.111 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.504 14.051 -10.667 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.188 14.481 -12.387 1.00 0.00 H new ATOM 861 N TRP A 54 -1.729 7.966 -6.268 1.00 0.00 N ATOM 862 CA TRP A 54 -1.221 7.259 -5.094 1.00 0.00 C ATOM 863 C TRP A 54 -0.151 8.078 -4.374 1.00 0.00 C ATOM 864 O TRP A 54 1.046 7.840 -4.539 1.00 0.00 O ATOM 865 CB TRP A 54 -0.657 5.897 -5.503 1.00 0.00 C ATOM 866 CG TRP A 54 -1.306 5.333 -6.729 1.00 0.00 C ATOM 867 CD1 TRP A 54 -2.623 5.005 -6.886 1.00 0.00 C ATOM 868 CD2 TRP A 54 -0.668 5.036 -7.977 1.00 0.00 C ATOM 869 NE1 TRP A 54 -2.842 4.524 -8.153 1.00 0.00 N ATOM 870 CE2 TRP A 54 -1.657 4.532 -8.842 1.00 0.00 C ATOM 871 CE3 TRP A 54 0.645 5.149 -8.446 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -1.374 4.143 -10.149 1.00 0.00 C ATOM 873 CZ3 TRP A 54 0.924 4.761 -9.742 1.00 0.00 C ATOM 874 CH2 TRP A 54 -0.081 4.263 -10.581 1.00 0.00 C ATOM 0 H TRP A 54 -1.392 7.599 -7.158 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.052 7.110 -4.404 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.415 5.993 -5.679 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.783 5.196 -4.678 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.381 5.109 -6.124 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.740 4.212 -8.522 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.426 5.533 -7.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.147 3.760 -10.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.934 4.843 -10.115 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.170 3.968 -11.589 1.00 0.00 H new ATOM 885 N HIS A 55 -0.599 9.052 -3.589 1.00 0.00 N ATOM 886 CA HIS A 55 0.297 9.919 -2.833 1.00 0.00 C ATOM 887 C HIS A 55 1.342 9.112 -2.077 1.00 0.00 C ATOM 888 O HIS A 55 1.056 8.033 -1.557 1.00 0.00 O ATOM 889 CB HIS A 55 -0.500 10.778 -1.849 1.00 0.00 C ATOM 890 CG HIS A 55 -1.508 11.666 -2.508 1.00 0.00 C ATOM 891 ND1 HIS A 55 -1.186 12.885 -3.068 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.840 11.510 -2.696 1.00 0.00 C ATOM 893 CE1 HIS A 55 -2.275 13.439 -3.570 1.00 0.00 C ATOM 894 NE2 HIS A 55 -3.292 12.625 -3.357 1.00 0.00 N ATOM 0 H HIS A 55 -1.589 9.262 -3.459 1.00 0.00 H new ATOM 0 HA HIS A 55 0.811 10.565 -3.545 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.011 10.125 -1.141 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.192 11.393 -1.273 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.252 13.295 -3.091 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.436 10.665 -2.384 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.325 14.395 -4.070 1.00 0.00 H new ATOM 903 N TYR A 56 2.556 9.644 -2.023 1.00 0.00 N ATOM 904 CA TYR A 56 3.651 8.982 -1.327 1.00 0.00 C ATOM 905 C TYR A 56 3.622 9.326 0.159 1.00 0.00 C ATOM 906 O TYR A 56 3.563 10.497 0.534 1.00 0.00 O ATOM 907 CB TYR A 56 4.998 9.385 -1.937 1.00 0.00 C ATOM 908 CG TYR A 56 5.141 9.051 -3.410 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.273 8.164 -4.040 1.00 0.00 C ATOM 910 CD2 TYR A 56 6.148 9.628 -4.174 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.408 7.865 -5.383 1.00 0.00 C ATOM 912 CE2 TYR A 56 6.288 9.334 -5.516 1.00 0.00 C ATOM 913 CZ TYR A 56 5.416 8.452 -6.116 1.00 0.00 C ATOM 914 OH TYR A 56 5.553 8.156 -7.452 1.00 0.00 O ATOM 0 H TYR A 56 2.807 10.534 -2.454 1.00 0.00 H new ATOM 0 HA TYR A 56 3.527 7.905 -1.439 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.137 10.458 -1.805 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.797 8.889 -1.385 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.481 7.702 -3.470 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.835 10.320 -3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.726 7.174 -5.856 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.077 9.793 -6.093 1.00 0.00 H new ATOM 0 HH TYR A 56 6.312 8.655 -7.821 1.00 0.00 H new ATOM 924 N TYR A 57 3.665 8.298 0.998 1.00 0.00 N ATOM 925 CA TYR A 57 3.634 8.490 2.444 1.00 0.00 C ATOM 926 C TYR A 57 4.894 7.949 3.107 1.00 0.00 C ATOM 927 O TYR A 57 5.407 6.896 2.729 1.00 0.00 O ATOM 928 CB TYR A 57 2.399 7.820 3.044 1.00 0.00 C ATOM 929 CG TYR A 57 1.136 8.634 2.885 1.00 0.00 C ATOM 930 CD1 TYR A 57 0.791 9.597 3.823 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.293 8.441 1.799 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.361 10.346 3.685 1.00 0.00 C ATOM 933 CE2 TYR A 57 -0.861 9.188 1.652 1.00 0.00 C ATOM 934 CZ TYR A 57 -1.184 10.139 2.597 1.00 0.00 C ATOM 935 OH TYR A 57 -2.331 10.884 2.455 1.00 0.00 O ATOM 0 H TYR A 57 3.721 7.323 0.703 1.00 0.00 H new ATOM 0 HA TYR A 57 3.587 9.562 2.633 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.257 6.848 2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.573 7.637 4.104 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.434 9.763 4.675 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.542 7.696 1.058 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.616 11.090 4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.506 9.028 0.801 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.796 10.615 1.636 1.00 0.00 H new ATOM 945 N ALA A 58 5.383 8.682 4.102 1.00 0.00 N ATOM 946 CA ALA A 58 6.580 8.286 4.832 1.00 0.00 C ATOM 947 C ALA A 58 6.237 7.870 6.258 1.00 0.00 C ATOM 948 O ALA A 58 5.884 8.706 7.090 1.00 0.00 O ATOM 949 CB ALA A 58 7.590 9.423 4.841 1.00 0.00 C ATOM 0 H ALA A 58 4.966 9.556 4.421 1.00 0.00 H new ATOM 0 HA ALA A 58 7.020 7.427 4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.480 9.115 5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.864 9.674 3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.151 10.296 5.324 1.00 0.00 H new ATOM 955 N LEU A 59 6.342 6.575 6.534 1.00 0.00 N ATOM 956 CA LEU A 59 6.044 6.050 7.859 1.00 0.00 C ATOM 957 C LEU A 59 7.262 6.148 8.772 1.00 0.00 C ATOM 958 O LEU A 59 8.403 6.079 8.312 1.00 0.00 O ATOM 959 CB LEU A 59 5.570 4.601 7.752 1.00 0.00 C ATOM 960 CG LEU A 59 4.091 4.434 7.400 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.852 3.103 6.705 1.00 0.00 C ATOM 962 CD2 LEU A 59 3.228 4.554 8.646 1.00 0.00 C ATOM 0 H LEU A 59 6.632 5.870 5.856 1.00 0.00 H new ATOM 0 HA LEU A 59 5.248 6.651 8.297 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.168 4.093 6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.762 4.100 8.701 1.00 0.00 H new ATOM 0 HG LEU A 59 3.810 5.232 6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.794 3.004 6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.439 3.061 5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.151 2.289 7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.179 4.432 8.375 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.510 3.780 9.360 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.375 5.535 9.097 1.00 0.00 H new ATOM 974 N SER A 60 7.012 6.312 10.068 1.00 0.00 N ATOM 975 CA SER A 60 8.086 6.435 11.049 1.00 0.00 C ATOM 976 C SER A 60 8.808 5.106 11.255 1.00 0.00 C ATOM 977 O SER A 60 9.975 5.082 11.649 1.00 0.00 O ATOM 978 CB SER A 60 7.530 6.933 12.384 1.00 0.00 C ATOM 979 OG SER A 60 6.637 5.990 12.949 1.00 0.00 O ATOM 0 H SER A 60 6.073 6.363 10.464 1.00 0.00 H new ATOM 0 HA SER A 60 8.805 7.158 10.663 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.351 7.121 13.076 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.015 7.882 12.235 1.00 0.00 H new ATOM 0 HG SER A 60 6.885 5.824 13.882 1.00 0.00 H new ATOM 985 N ASP A 61 8.113 4.006 10.987 1.00 0.00 N ATOM 986 CA ASP A 61 8.698 2.679 11.152 1.00 0.00 C ATOM 987 C ASP A 61 9.742 2.401 10.078 1.00 0.00 C ATOM 988 O ASP A 61 10.733 1.714 10.325 1.00 0.00 O ATOM 989 CB ASP A 61 7.612 1.604 11.103 1.00 0.00 C ATOM 990 CG ASP A 61 6.992 1.335 12.459 1.00 0.00 C ATOM 991 OD1 ASP A 61 7.690 1.519 13.478 1.00 0.00 O ATOM 992 OD2 ASP A 61 5.811 0.934 12.500 1.00 0.00 O ATOM 0 H ASP A 61 7.148 4.006 10.656 1.00 0.00 H new ATOM 0 HA ASP A 61 9.186 2.652 12.126 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.832 1.913 10.407 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.039 0.680 10.714 1.00 0.00 H new ATOM 997 N GLY A 62 9.513 2.940 8.886 1.00 0.00 N ATOM 998 CA GLY A 62 10.437 2.732 7.789 1.00 0.00 C ATOM 999 C GLY A 62 9.831 1.885 6.689 1.00 0.00 C ATOM 1000 O GLY A 62 10.541 1.387 5.815 1.00 0.00 O ATOM 0 H GLY A 62 8.703 3.518 8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.737 3.697 7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.340 2.249 8.162 1.00 0.00 H new ATOM 1004 N GLY A 63 8.512 1.721 6.738 1.00 0.00 N ATOM 1005 CA GLY A 63 7.824 0.930 5.736 1.00 0.00 C ATOM 1006 C GLY A 63 7.503 1.727 4.489 1.00 0.00 C ATOM 1007 O GLY A 63 7.778 1.283 3.374 1.00 0.00 O ATOM 0 H GLY A 63 7.908 2.123 7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.442 0.073 5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.900 0.536 6.160 1.00 0.00 H new ATOM 1011 N PHE A 64 6.923 2.909 4.683 1.00 0.00 N ATOM 1012 CA PHE A 64 6.556 3.786 3.573 1.00 0.00 C ATOM 1013 C PHE A 64 5.476 3.143 2.708 1.00 0.00 C ATOM 1014 O PHE A 64 5.633 2.016 2.238 1.00 0.00 O ATOM 1015 CB PHE A 64 7.786 4.118 2.724 1.00 0.00 C ATOM 1016 CG PHE A 64 8.951 4.616 3.530 1.00 0.00 C ATOM 1017 CD1 PHE A 64 9.008 5.935 3.950 1.00 0.00 C ATOM 1018 CD2 PHE A 64 9.990 3.764 3.872 1.00 0.00 C ATOM 1019 CE1 PHE A 64 10.077 6.395 4.695 1.00 0.00 C ATOM 1020 CE2 PHE A 64 11.061 4.218 4.616 1.00 0.00 C ATOM 1021 CZ PHE A 64 11.105 5.535 5.029 1.00 0.00 C ATOM 0 H PHE A 64 6.696 3.284 5.604 1.00 0.00 H new ATOM 0 HA PHE A 64 6.157 4.711 3.989 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.089 3.228 2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.516 4.873 1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.207 6.612 3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.961 2.733 3.553 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.109 7.426 5.016 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.864 3.543 4.875 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.941 5.892 5.612 1.00 0.00 H new ATOM 1031 N TYR A 65 4.378 3.864 2.499 1.00 0.00 N ATOM 1032 CA TYR A 65 3.276 3.349 1.694 1.00 0.00 C ATOM 1033 C TYR A 65 2.666 4.441 0.815 1.00 0.00 C ATOM 1034 O TYR A 65 2.955 5.624 0.984 1.00 0.00 O ATOM 1035 CB TYR A 65 2.201 2.736 2.598 1.00 0.00 C ATOM 1036 CG TYR A 65 1.179 3.731 3.108 1.00 0.00 C ATOM 1037 CD1 TYR A 65 1.431 4.511 4.232 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.040 3.887 2.461 1.00 0.00 C ATOM 1039 CE1 TYR A 65 0.496 5.417 4.693 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -0.979 4.792 2.917 1.00 0.00 C ATOM 1041 CZ TYR A 65 -0.707 5.554 4.032 1.00 0.00 C ATOM 1042 OH TYR A 65 -1.639 6.456 4.489 1.00 0.00 O ATOM 0 H TYR A 65 4.228 4.801 2.874 1.00 0.00 H new ATOM 0 HA TYR A 65 3.676 2.576 1.038 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.684 1.950 2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.686 2.261 3.451 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.372 4.407 4.752 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.257 3.291 1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.706 6.016 5.567 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.922 4.902 2.402 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.430 6.430 3.911 1.00 0.00 H new ATOM 1052 N MET A 66 1.817 4.026 -0.124 1.00 0.00 N ATOM 1053 CA MET A 66 1.149 4.955 -1.035 1.00 0.00 C ATOM 1054 C MET A 66 -0.364 4.779 -0.965 1.00 0.00 C ATOM 1055 O MET A 66 -0.861 3.673 -0.752 1.00 0.00 O ATOM 1056 CB MET A 66 1.632 4.734 -2.470 1.00 0.00 C ATOM 1057 CG MET A 66 3.144 4.629 -2.596 1.00 0.00 C ATOM 1058 SD MET A 66 3.719 4.802 -4.297 1.00 0.00 S ATOM 1059 CE MET A 66 2.703 3.586 -5.130 1.00 0.00 C ATOM 0 H MET A 66 1.574 3.047 -0.274 1.00 0.00 H new ATOM 0 HA MET A 66 1.399 5.971 -0.730 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.179 3.822 -2.860 1.00 0.00 H new ATOM 0 HB3 MET A 66 1.280 5.556 -3.093 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.609 5.399 -1.980 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.470 3.666 -2.203 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.867 3.650 -6.206 1.00 0.00 H new ATOM 0 HE2 MET A 66 2.970 2.588 -4.781 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.653 3.778 -4.911 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.091 5.876 -1.145 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.548 5.843 -1.102 1.00 0.00 C ATOM 1071 C ALA A 67 -3.156 6.686 -2.222 1.00 0.00 C ATOM 1072 O ALA A 67 -2.842 7.869 -2.357 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.045 6.325 0.253 1.00 0.00 C ATOM 0 H ALA A 67 -0.695 6.799 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.866 4.811 -1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.134 6.296 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.651 5.678 1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.707 7.347 0.422 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.038 6.083 -3.042 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.694 6.782 -4.154 1.00 0.00 C ATOM 1081 C PRO A 68 -5.443 8.030 -3.694 1.00 0.00 C ATOM 1082 O PRO A 68 -5.732 8.190 -2.508 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.674 5.742 -4.706 1.00 0.00 C ATOM 1084 CG PRO A 68 -5.121 4.428 -4.277 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.461 4.674 -2.951 1.00 0.00 C ATOM 0 HA PRO A 68 -3.973 7.138 -4.890 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.678 5.896 -4.310 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.746 5.805 -5.792 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.911 3.682 -4.188 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.405 4.049 -5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.150 4.513 -2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.612 4.008 -2.794 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.751 8.914 -4.639 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.464 10.148 -4.327 1.00 0.00 C ATOM 1095 C ASP A 69 -7.922 10.081 -4.776 1.00 0.00 C ATOM 1096 O ASP A 69 -8.255 10.467 -5.897 1.00 0.00 O ATOM 1097 CB ASP A 69 -5.771 11.340 -4.991 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.447 12.656 -4.664 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -6.238 13.170 -3.545 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -7.187 13.175 -5.527 1.00 0.00 O ATOM 0 H ASP A 69 -5.518 8.799 -5.625 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.449 10.275 -3.245 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.731 11.379 -4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.764 11.197 -6.072 1.00 0.00 H new ATOM 1105 N LEU A 70 -8.783 9.582 -3.896 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.208 9.470 -4.193 1.00 0.00 C ATOM 1107 C LEU A 70 -11.044 9.871 -2.981 1.00 0.00 C ATOM 1108 O LEU A 70 -11.083 9.156 -1.981 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.556 8.041 -4.616 1.00 0.00 C ATOM 1110 CG LEU A 70 -9.686 7.467 -5.736 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -9.883 5.962 -5.847 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -10.004 8.146 -7.060 1.00 0.00 C ATOM 0 H LEU A 70 -8.519 9.248 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.437 10.148 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.476 7.391 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.597 8.017 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.641 7.660 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.256 5.571 -6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.605 5.488 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.929 5.747 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.376 7.725 -7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.053 7.985 -7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.812 9.216 -6.976 1.00 0.00 H new ATOM 1124 N ALA A 71 -11.710 11.018 -3.078 1.00 0.00 N ATOM 1125 CA ALA A 71 -12.541 11.513 -1.987 1.00 0.00 C ATOM 1126 C ALA A 71 -13.999 11.106 -2.172 1.00 0.00 C ATOM 1127 O ALA A 71 -14.696 11.636 -3.037 1.00 0.00 O ATOM 1128 CB ALA A 71 -12.425 13.027 -1.882 1.00 0.00 C ATOM 0 H ALA A 71 -11.690 11.621 -3.900 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.182 11.064 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -13.050 13.384 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.387 13.300 -1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.754 13.483 -2.816 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.454 10.161 -1.354 1.00 0.00 N ATOM 1135 CA GLY A 72 -15.828 9.701 -1.443 1.00 0.00 C ATOM 1136 C GLY A 72 -15.970 8.224 -1.129 1.00 0.00 C ATOM 1137 O GLY A 72 -15.099 7.630 -0.493 1.00 0.00 O ATOM 0 H GLY A 72 -13.896 9.706 -0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.445 10.276 -0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.207 9.893 -2.447 1.00 0.00 H new ATOM 1141 N ARG A 73 -17.074 7.633 -1.576 1.00 0.00 N ATOM 1142 CA ARG A 73 -17.336 6.220 -1.344 1.00 0.00 C ATOM 1143 C ARG A 73 -17.168 5.422 -2.632 1.00 0.00 C ATOM 1144 O ARG A 73 -17.965 5.545 -3.562 1.00 0.00 O ATOM 1145 CB ARG A 73 -18.748 6.026 -0.787 1.00 0.00 C ATOM 1146 CG ARG A 73 -18.951 6.658 0.581 1.00 0.00 C ATOM 1147 CD ARG A 73 -20.377 6.476 1.076 1.00 0.00 C ATOM 1148 NE ARG A 73 -20.559 7.001 2.426 1.00 0.00 N ATOM 1149 CZ ARG A 73 -21.733 7.045 3.050 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -22.827 6.600 2.446 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -21.813 7.535 4.280 1.00 0.00 N ATOM 0 H ARG A 73 -17.803 8.114 -2.103 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.614 5.854 -0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -19.468 6.452 -1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -18.961 4.959 -0.721 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -18.258 6.212 1.295 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.716 7.721 0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -21.064 6.979 0.396 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -20.633 5.417 1.061 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.739 7.354 2.919 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.770 6.223 1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -23.726 6.635 2.927 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -20.974 7.878 4.748 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -22.713 7.569 4.758 1.00 0.00 H new ATOM 1165 N LEU A 74 -16.124 4.605 -2.672 1.00 0.00 N ATOM 1166 CA LEU A 74 -15.840 3.782 -3.843 1.00 0.00 C ATOM 1167 C LEU A 74 -15.951 2.299 -3.509 1.00 0.00 C ATOM 1168 O LEU A 74 -15.186 1.777 -2.697 1.00 0.00 O ATOM 1169 CB LEU A 74 -14.442 4.088 -4.384 1.00 0.00 C ATOM 1170 CG LEU A 74 -14.135 5.573 -4.579 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -13.393 6.124 -3.369 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -13.322 5.786 -5.846 1.00 0.00 C ATOM 0 H LEU A 74 -15.458 4.493 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 74 -16.579 4.021 -4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.704 3.667 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.319 3.579 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 74 -15.077 6.111 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -13.181 7.182 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.009 6.003 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.456 5.582 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.112 6.848 -5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.383 5.237 -5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.887 5.425 -6.706 1.00 0.00 H new ATOM 1184 N GLU A 75 -16.906 1.626 -4.142 1.00 0.00 N ATOM 1185 CA GLU A 75 -17.118 0.201 -3.915 1.00 0.00 C ATOM 1186 C GLU A 75 -15.898 -0.606 -4.346 1.00 0.00 C ATOM 1187 O GLU A 75 -15.643 -0.774 -5.539 1.00 0.00 O ATOM 1188 CB GLU A 75 -18.356 -0.278 -4.676 1.00 0.00 C ATOM 1189 CG GLU A 75 -19.625 0.474 -4.308 1.00 0.00 C ATOM 1190 CD GLU A 75 -20.841 -0.032 -5.059 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -21.071 0.432 -6.197 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -21.563 -0.891 -4.511 1.00 0.00 O ATOM 0 H GLU A 75 -17.546 2.045 -4.817 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.274 0.047 -2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -18.178 -0.172 -5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -18.504 -1.340 -4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -19.800 0.381 -3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -19.488 1.535 -4.518 1.00 0.00 H new ATOM 1199 N ILE A 76 -15.146 -1.100 -3.368 1.00 0.00 N ATOM 1200 CA ILE A 76 -13.952 -1.889 -3.643 1.00 0.00 C ATOM 1201 C ILE A 76 -14.094 -3.310 -3.102 1.00 0.00 C ATOM 1202 O ILE A 76 -14.080 -3.534 -1.890 1.00 0.00 O ATOM 1203 CB ILE A 76 -12.689 -1.219 -3.049 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -12.076 -0.250 -4.066 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -11.663 -2.262 -2.618 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -11.242 -0.926 -5.133 1.00 0.00 C ATOM 0 H ILE A 76 -15.343 -0.967 -2.376 1.00 0.00 H new ATOM 0 HA ILE A 76 -13.839 -1.940 -4.726 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.987 -0.658 -2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.877 0.311 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.454 0.472 -3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.787 -1.762 -2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.101 -2.912 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.367 -2.859 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.843 -0.174 -5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.418 -1.464 -4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.863 -1.627 -5.690 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.250 -4.265 -4.012 1.00 0.00 N ATOM 1219 CA GLU A 77 -14.382 -5.666 -3.633 1.00 0.00 C ATOM 1220 C GLU A 77 -13.012 -6.262 -3.345 1.00 0.00 C ATOM 1221 O GLU A 77 -12.164 -6.351 -4.231 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.079 -6.461 -4.737 1.00 0.00 C ATOM 1223 CG GLU A 77 -16.436 -5.899 -5.131 1.00 0.00 C ATOM 1224 CD GLU A 77 -17.112 -6.716 -6.213 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -17.854 -7.661 -5.869 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -16.898 -6.415 -7.406 1.00 0.00 O ATOM 0 H GLU A 77 -14.288 -4.094 -5.017 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.991 -5.722 -2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.436 -6.485 -5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.205 -7.492 -4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.080 -5.863 -4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.314 -4.873 -5.478 1.00 0.00 H new ATOM 1233 N VAL A 78 -12.807 -6.677 -2.107 1.00 0.00 N ATOM 1234 CA VAL A 78 -11.540 -7.241 -1.692 1.00 0.00 C ATOM 1235 C VAL A 78 -11.495 -8.744 -1.934 1.00 0.00 C ATOM 1236 O VAL A 78 -11.936 -9.524 -1.092 1.00 0.00 O ATOM 1237 CB VAL A 78 -11.305 -6.962 -0.201 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -9.899 -7.341 0.196 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -11.581 -5.501 0.120 1.00 0.00 C ATOM 0 H VAL A 78 -13.509 -6.632 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.757 -6.771 -2.287 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.998 -7.574 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.752 -7.136 1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.741 -8.403 0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.186 -6.759 -0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.409 -5.323 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.916 -4.868 -0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.616 -5.264 -0.124 1.00 0.00 H new ATOM 1249 N ASN A 79 -10.969 -9.154 -3.088 1.00 0.00 N ATOM 1250 CA ASN A 79 -10.877 -10.575 -3.413 1.00 0.00 C ATOM 1251 C ASN A 79 -9.916 -11.287 -2.469 1.00 0.00 C ATOM 1252 O ASN A 79 -10.124 -12.447 -2.115 1.00 0.00 O ATOM 1253 CB ASN A 79 -10.416 -10.760 -4.861 1.00 0.00 C ATOM 1254 CG ASN A 79 -8.984 -10.311 -5.075 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -8.048 -11.103 -4.962 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -8.804 -9.032 -5.381 1.00 0.00 N ATOM 0 H ASN A 79 -10.604 -8.529 -3.806 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.868 -11.014 -3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.509 -11.810 -5.138 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.073 -10.196 -5.523 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.862 -8.672 -5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.608 -8.410 -5.465 1.00 0.00 H new ATOM 1263 N GLY A 80 -8.855 -10.580 -2.082 1.00 0.00 N ATOM 1264 CA GLY A 80 -7.860 -11.136 -1.178 1.00 0.00 C ATOM 1265 C GLY A 80 -8.460 -11.961 -0.052 1.00 0.00 C ATOM 1266 O GLY A 80 -7.816 -12.876 0.463 1.00 0.00 O ATOM 0 H GLY A 80 -8.666 -9.624 -2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.171 -11.760 -1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.274 -10.323 -0.750 1.00 0.00 H new ATOM 1270 N ASN A 81 -9.691 -11.640 0.333 1.00 0.00 N ATOM 1271 CA ASN A 81 -10.367 -12.366 1.398 1.00 0.00 C ATOM 1272 C ASN A 81 -11.879 -12.352 1.193 1.00 0.00 C ATOM 1273 O ASN A 81 -12.640 -12.699 2.096 1.00 0.00 O ATOM 1274 CB ASN A 81 -10.019 -11.765 2.757 1.00 0.00 C ATOM 1275 CG ASN A 81 -10.826 -10.523 3.066 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -11.889 -10.599 3.682 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -10.325 -9.370 2.642 1.00 0.00 N ATOM 0 H ASN A 81 -10.238 -10.883 -0.077 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.025 -13.400 1.370 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.192 -12.509 3.535 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.957 -11.520 2.781 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.825 -8.499 2.823 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.440 -9.354 2.135 1.00 0.00 H new ATOM 1284 N GLY A 82 -12.310 -11.953 -0.002 1.00 0.00 N ATOM 1285 CA GLY A 82 -13.727 -11.909 -0.304 1.00 0.00 C ATOM 1286 C GLY A 82 -14.465 -10.846 0.483 1.00 0.00 C ATOM 1287 O GLY A 82 -15.691 -10.881 0.583 1.00 0.00 O ATOM 0 H GLY A 82 -11.701 -11.660 -0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.861 -11.723 -1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.169 -12.883 -0.092 1.00 0.00 H new ATOM 1291 N PHE A 83 -13.723 -9.897 1.046 1.00 0.00 N ATOM 1292 CA PHE A 83 -14.328 -8.827 1.825 1.00 0.00 C ATOM 1293 C PHE A 83 -14.923 -7.758 0.920 1.00 0.00 C ATOM 1294 O PHE A 83 -14.263 -6.776 0.581 1.00 0.00 O ATOM 1295 CB PHE A 83 -13.303 -8.199 2.771 1.00 0.00 C ATOM 1296 CG PHE A 83 -13.810 -6.983 3.496 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -14.939 -7.055 4.297 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -13.155 -5.768 3.377 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -15.406 -5.938 4.964 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -13.617 -4.647 4.041 1.00 0.00 C ATOM 1301 CZ PHE A 83 -14.744 -4.732 4.836 1.00 0.00 C ATOM 0 H PHE A 83 -12.707 -9.849 0.977 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.132 -9.264 2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -12.994 -8.945 3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.415 -7.926 2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.460 -7.995 4.401 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.273 -5.696 2.758 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.287 -6.008 5.584 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.098 -3.706 3.938 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.107 -3.858 5.356 1.00 0.00 H new ATOM 1311 N ARG A 84 -16.169 -7.964 0.519 1.00 0.00 N ATOM 1312 CA ARG A 84 -16.857 -7.008 -0.332 1.00 0.00 C ATOM 1313 C ARG A 84 -17.260 -5.793 0.491 1.00 0.00 C ATOM 1314 O ARG A 84 -18.184 -5.866 1.301 1.00 0.00 O ATOM 1315 CB ARG A 84 -18.091 -7.649 -0.971 1.00 0.00 C ATOM 1316 CG ARG A 84 -18.838 -6.725 -1.920 1.00 0.00 C ATOM 1317 CD ARG A 84 -20.001 -7.436 -2.594 1.00 0.00 C ATOM 1318 NE ARG A 84 -20.985 -7.917 -1.629 1.00 0.00 N ATOM 1319 CZ ARG A 84 -22.196 -8.354 -1.965 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -22.573 -8.366 -3.237 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -23.034 -8.778 -1.028 1.00 0.00 N ATOM 0 H ARG A 84 -16.722 -8.784 0.769 1.00 0.00 H new ATOM 0 HA ARG A 84 -16.184 -6.695 -1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.785 -8.543 -1.514 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.771 -7.972 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -19.209 -5.860 -1.370 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -18.151 -6.349 -2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -20.484 -6.755 -3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -19.623 -8.277 -3.175 1.00 0.00 H new ATOM 0 HE ARG A 84 -20.730 -7.918 -0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -21.934 -8.039 -3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -23.502 -8.702 -3.490 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -22.750 -8.769 -0.048 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -23.962 -9.113 -1.287 1.00 0.00 H new ATOM 1335 N GLY A 85 -16.566 -4.680 0.287 1.00 0.00 N ATOM 1336 CA GLY A 85 -16.879 -3.483 1.048 1.00 0.00 C ATOM 1337 C GLY A 85 -16.253 -2.226 0.483 1.00 0.00 C ATOM 1338 O GLY A 85 -15.078 -2.218 0.114 1.00 0.00 O ATOM 0 H GLY A 85 -15.802 -4.583 -0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.961 -3.357 1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.541 -3.617 2.076 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.043 -1.159 0.422 1.00 0.00 N ATOM 1343 CA GLU A 86 -16.566 0.120 -0.088 1.00 0.00 C ATOM 1344 C GLU A 86 -15.598 0.755 0.902 1.00 0.00 C ATOM 1345 O GLU A 86 -15.722 0.565 2.111 1.00 0.00 O ATOM 1346 CB GLU A 86 -17.745 1.061 -0.345 1.00 0.00 C ATOM 1347 CG GLU A 86 -18.603 1.308 0.885 1.00 0.00 C ATOM 1348 CD GLU A 86 -19.716 2.303 0.629 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -20.756 1.900 0.067 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -19.550 3.486 0.993 1.00 0.00 O ATOM 0 H GLU A 86 -18.018 -1.156 0.720 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.043 -0.054 -1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.365 2.015 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.368 0.642 -1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.034 0.364 1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.973 1.674 1.695 1.00 0.00 H new ATOM 1357 N LEU A 87 -14.635 1.508 0.386 1.00 0.00 N ATOM 1358 CA LEU A 87 -13.648 2.161 1.237 1.00 0.00 C ATOM 1359 C LEU A 87 -12.965 3.307 0.497 1.00 0.00 C ATOM 1360 O LEU A 87 -12.792 3.256 -0.720 1.00 0.00 O ATOM 1361 CB LEU A 87 -12.608 1.141 1.706 1.00 0.00 C ATOM 1362 CG LEU A 87 -12.055 1.374 3.114 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -13.171 1.294 4.147 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -10.965 0.361 3.429 1.00 0.00 C ATOM 0 H LEU A 87 -14.516 1.681 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.161 2.575 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.054 0.147 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.776 1.144 1.001 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.622 2.373 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.759 1.462 5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.921 2.055 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.633 0.308 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.582 0.540 4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.377 -0.646 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.154 0.463 2.708 1.00 0.00 H new ATOM 1376 N SER A 88 -12.580 4.339 1.241 1.00 0.00 N ATOM 1377 CA SER A 88 -11.917 5.499 0.654 1.00 0.00 C ATOM 1378 C SER A 88 -10.525 5.129 0.156 1.00 0.00 C ATOM 1379 O SER A 88 -9.938 4.144 0.603 1.00 0.00 O ATOM 1380 CB SER A 88 -11.826 6.633 1.676 1.00 0.00 C ATOM 1381 OG SER A 88 -11.057 6.244 2.802 1.00 0.00 O ATOM 0 H SER A 88 -12.715 4.396 2.250 1.00 0.00 H new ATOM 0 HA SER A 88 -12.510 5.837 -0.196 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.377 7.511 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.828 6.919 1.997 1.00 0.00 H new ATOM 0 HG SER A 88 -11.012 6.987 3.440 1.00 0.00 H new ATOM 1387 N ALA A 89 -9.999 5.928 -0.769 1.00 0.00 N ATOM 1388 CA ALA A 89 -8.676 5.679 -1.332 1.00 0.00 C ATOM 1389 C ALA A 89 -7.593 5.739 -0.259 1.00 0.00 C ATOM 1390 O ALA A 89 -6.437 5.398 -0.515 1.00 0.00 O ATOM 1391 CB ALA A 89 -8.373 6.678 -2.435 1.00 0.00 C ATOM 0 H ALA A 89 -10.469 6.752 -1.144 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.679 4.673 -1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.383 6.479 -2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.118 6.585 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.401 7.689 -2.028 1.00 0.00 H new ATOM 1397 N ASP A 90 -7.968 6.173 0.938 1.00 0.00 N ATOM 1398 CA ASP A 90 -7.025 6.272 2.041 1.00 0.00 C ATOM 1399 C ASP A 90 -6.934 4.943 2.776 1.00 0.00 C ATOM 1400 O ASP A 90 -5.854 4.373 2.910 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.449 7.383 3.005 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.499 7.525 4.179 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -5.496 8.258 4.046 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -6.759 6.905 5.231 1.00 0.00 O ATOM 0 H ASP A 90 -8.919 6.462 1.168 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.042 6.517 1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.499 8.329 2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.452 7.174 3.376 1.00 0.00 H new ATOM 1409 N ALA A 91 -8.076 4.451 3.247 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.123 3.182 3.964 1.00 0.00 C ATOM 1411 C ALA A 91 -8.030 2.002 3.002 1.00 0.00 C ATOM 1412 O ALA A 91 -7.865 0.858 3.427 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.394 3.092 4.795 1.00 0.00 C ATOM 0 H ALA A 91 -8.980 4.912 3.145 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.263 3.139 4.632 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.416 2.140 5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.416 3.909 5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.263 3.163 4.140 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.137 2.283 1.706 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.059 1.239 0.689 1.00 0.00 C ATOM 1421 C ALA A 92 -6.652 1.157 0.120 1.00 0.00 C ATOM 1422 O ALA A 92 -6.163 0.073 -0.199 1.00 0.00 O ATOM 1423 CB ALA A 92 -9.070 1.494 -0.418 1.00 0.00 C ATOM 0 H ALA A 92 -8.278 3.223 1.336 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.298 0.284 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.997 0.705 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.076 1.503 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.864 2.457 -0.884 1.00 0.00 H new ATOM 1429 N GLY A 93 -6.005 2.311 -0.010 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.652 2.341 -0.524 1.00 0.00 C ATOM 1431 C GLY A 93 -3.721 1.524 0.343 1.00 0.00 C ATOM 1432 O GLY A 93 -2.649 1.110 -0.096 1.00 0.00 O ATOM 0 H GLY A 93 -6.394 3.223 0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.638 1.954 -1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.300 3.372 -0.570 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.143 1.293 1.583 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.358 0.512 2.529 1.00 0.00 C ATOM 1438 C ILE A 94 -3.280 -0.941 2.081 1.00 0.00 C ATOM 1439 O ILE A 94 -2.232 -1.578 2.171 1.00 0.00 O ATOM 1440 CB ILE A 94 -3.962 0.559 3.949 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -4.562 1.939 4.243 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -2.908 0.200 4.985 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -3.585 3.083 4.078 1.00 0.00 C ATOM 0 H ILE A 94 -5.028 1.638 1.955 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.361 0.952 2.556 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.765 -0.176 4.003 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.412 2.103 3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.946 1.947 5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.349 0.238 5.981 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.535 -0.806 4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.083 0.910 4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.086 4.024 4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.746 2.946 4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.219 3.104 3.051 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.404 -1.455 1.595 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.486 -2.831 1.129 1.00 0.00 C ATOM 1457 C VAL A 95 -3.761 -3.006 -0.202 1.00 0.00 C ATOM 1458 O VAL A 95 -3.181 -4.057 -0.471 1.00 0.00 O ATOM 1459 CB VAL A 95 -5.953 -3.273 0.962 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.036 -4.764 0.676 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.763 -2.915 2.200 1.00 0.00 C ATOM 0 H VAL A 95 -5.277 -0.933 1.514 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.005 -3.453 1.884 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.377 -2.741 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.080 -5.055 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.494 -4.989 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.593 -5.318 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.796 -3.235 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.339 -3.417 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.734 -1.836 2.354 1.00 0.00 H new ATOM 1471 N ALA A 96 -3.792 -1.966 -1.031 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.144 -2.011 -2.339 1.00 0.00 C ATOM 1473 C ALA A 96 -1.623 -2.074 -2.218 1.00 0.00 C ATOM 1474 O ALA A 96 -0.974 -2.879 -2.887 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.557 -0.807 -3.170 1.00 0.00 C ATOM 0 H ALA A 96 -4.258 -1.083 -0.821 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.471 -2.923 -2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.068 -0.851 -4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.638 -0.813 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.262 0.108 -2.657 1.00 0.00 H new ATOM 1481 N THR A 97 -1.058 -1.224 -1.365 1.00 0.00 N ATOM 1482 CA THR A 97 0.390 -1.185 -1.176 1.00 0.00 C ATOM 1483 C THR A 97 0.889 -2.406 -0.410 1.00 0.00 C ATOM 1484 O THR A 97 1.927 -2.976 -0.745 1.00 0.00 O ATOM 1485 CB THR A 97 0.830 0.095 -0.438 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.232 0.036 -0.147 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.047 0.280 0.853 1.00 0.00 C ATOM 0 H THR A 97 -1.577 -0.556 -0.796 1.00 0.00 H new ATOM 0 HA THR A 97 0.833 -1.189 -2.172 1.00 0.00 H new ATOM 0 HB THR A 97 0.628 0.946 -1.088 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.504 0.853 0.320 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.378 1.191 1.352 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.016 0.357 0.626 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.217 -0.575 1.507 1.00 0.00 H new ATOM 1495 N LEU A 98 0.148 -2.802 0.621 1.00 0.00 N ATOM 1496 CA LEU A 98 0.520 -3.962 1.429 1.00 0.00 C ATOM 1497 C LEU A 98 0.650 -5.216 0.567 1.00 0.00 C ATOM 1498 O LEU A 98 1.654 -5.924 0.635 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.513 -4.195 2.533 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.344 -3.320 3.776 1.00 0.00 C ATOM 1501 CD1 LEU A 98 -1.550 -3.459 4.694 1.00 0.00 C ATOM 1502 CD2 LEU A 98 0.933 -3.687 4.517 1.00 0.00 C ATOM 0 H LEU A 98 -0.711 -2.339 0.917 1.00 0.00 H new ATOM 0 HA LEU A 98 1.489 -3.756 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.507 -4.024 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.469 -5.241 2.836 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.271 -2.280 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.412 -2.830 5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.450 -3.149 4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.653 -4.499 5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.037 -3.054 5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.888 -4.732 4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.790 -3.538 3.860 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.371 -5.483 -0.241 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.374 -6.654 -1.114 1.00 0.00 C ATOM 1516 C PHE A 99 0.829 -6.655 -2.052 1.00 0.00 C ATOM 1517 O PHE A 99 1.312 -7.715 -2.453 1.00 0.00 O ATOM 1518 CB PHE A 99 -1.670 -6.705 -1.926 1.00 0.00 C ATOM 1519 CG PHE A 99 -2.732 -7.570 -1.309 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -2.771 -8.930 -1.573 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -3.689 -7.026 -0.468 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -3.745 -9.731 -1.009 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -4.666 -7.824 0.099 1.00 0.00 C ATOM 1524 CZ PHE A 99 -4.693 -9.178 -0.173 1.00 0.00 C ATOM 0 H PHE A 99 -1.208 -4.904 -0.310 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.309 -7.540 -0.482 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.058 -5.693 -2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.448 -7.075 -2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.032 -9.368 -2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.672 -5.968 -0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.764 -10.790 -1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.407 -7.389 0.754 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.455 -9.803 0.268 1.00 0.00 H new ATOM 1534 N ALA A 100 1.309 -5.467 -2.399 1.00 0.00 N ATOM 1535 CA ALA A 100 2.456 -5.336 -3.291 1.00 0.00 C ATOM 1536 C ALA A 100 3.728 -5.877 -2.643 1.00 0.00 C ATOM 1537 O ALA A 100 4.518 -6.570 -3.287 1.00 0.00 O ATOM 1538 CB ALA A 100 2.643 -3.882 -3.697 1.00 0.00 C ATOM 0 H ALA A 100 0.922 -4.580 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 100 2.259 -5.930 -4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.502 -3.798 -4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.749 -3.530 -4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.812 -3.275 -2.808 1.00 0.00 H new ATOM 1544 N LEU A 101 3.921 -5.553 -1.368 1.00 0.00 N ATOM 1545 CA LEU A 101 5.098 -6.003 -0.629 1.00 0.00 C ATOM 1546 C LEU A 101 5.200 -7.527 -0.622 1.00 0.00 C ATOM 1547 O LEU A 101 6.285 -8.086 -0.784 1.00 0.00 O ATOM 1548 CB LEU A 101 5.048 -5.488 0.812 1.00 0.00 C ATOM 1549 CG LEU A 101 5.078 -3.966 0.964 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.812 -3.570 2.409 1.00 0.00 C ATOM 1551 CD2 LEU A 101 6.412 -3.410 0.491 1.00 0.00 C ATOM 0 H LEU A 101 3.277 -4.980 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 101 5.978 -5.600 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.141 -5.866 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.891 -5.908 1.360 1.00 0.00 H new ATOM 0 HG LEU A 101 4.290 -3.540 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.837 -2.484 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.831 -3.937 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.577 -4.005 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.416 -2.326 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.217 -3.841 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.560 -3.664 -0.559 1.00 0.00 H new ATOM 1563 N GLY A 102 4.064 -8.188 -0.431 1.00 0.00 N ATOM 1564 CA GLY A 102 4.044 -9.639 -0.391 1.00 0.00 C ATOM 1565 C GLY A 102 4.312 -10.285 -1.738 1.00 0.00 C ATOM 1566 O GLY A 102 4.575 -11.485 -1.810 1.00 0.00 O ATOM 0 H GLY A 102 3.155 -7.744 -0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.790 -9.985 0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.073 -9.971 -0.024 1.00 0.00 H new ATOM 1570 N GLN A 103 4.251 -9.497 -2.807 1.00 0.00 N ATOM 1571 CA GLN A 103 4.485 -10.024 -4.150 1.00 0.00 C ATOM 1572 C GLN A 103 5.956 -9.913 -4.542 1.00 0.00 C ATOM 1573 O GLN A 103 6.536 -10.860 -5.075 1.00 0.00 O ATOM 1574 CB GLN A 103 3.610 -9.294 -5.173 1.00 0.00 C ATOM 1575 CG GLN A 103 3.642 -9.925 -6.556 1.00 0.00 C ATOM 1576 CD GLN A 103 2.527 -9.426 -7.454 1.00 0.00 C ATOM 1577 OE1 GLN A 103 2.796 -8.360 -8.196 1.00 0.00 O flip ATOM 1578 NE2 GLN A 103 1.436 -9.996 -7.484 1.00 0.00 N flip ATOM 0 H GLN A 103 4.043 -8.499 -2.772 1.00 0.00 H new ATOM 0 HA GLN A 103 4.215 -11.080 -4.143 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.581 -9.277 -4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.939 -8.257 -5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.603 -9.713 -7.025 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.567 -11.008 -6.458 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.271 -10.813 -6.896 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.697 -9.651 -8.096 1.00 0.00 H new ATOM 1587 N LEU A 104 6.556 -8.756 -4.279 1.00 0.00 N ATOM 1588 CA LEU A 104 7.961 -8.532 -4.609 1.00 0.00 C ATOM 1589 C LEU A 104 8.862 -9.477 -3.822 1.00 0.00 C ATOM 1590 O LEU A 104 9.900 -9.916 -4.317 1.00 0.00 O ATOM 1591 CB LEU A 104 8.353 -7.083 -4.321 1.00 0.00 C ATOM 1592 CG LEU A 104 7.683 -6.039 -5.218 1.00 0.00 C ATOM 1593 CD1 LEU A 104 8.104 -4.636 -4.811 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.018 -6.297 -6.680 1.00 0.00 C ATOM 0 H LEU A 104 6.093 -7.960 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 104 8.092 -8.732 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 104 8.110 -6.857 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.434 -6.988 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 104 6.603 -6.121 -5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.618 -3.908 -5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.811 -4.454 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.186 -4.539 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.533 -5.545 -7.303 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.098 -6.243 -6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.664 -7.288 -6.965 1.00 0.00 H new ATOM 1606 N ALA A 105 8.457 -9.783 -2.596 1.00 0.00 N ATOM 1607 CA ALA A 105 9.224 -10.674 -1.735 1.00 0.00 C ATOM 1608 C ALA A 105 9.295 -12.081 -2.318 1.00 0.00 C ATOM 1609 O ALA A 105 10.329 -12.743 -2.247 1.00 0.00 O ATOM 1610 CB ALA A 105 8.608 -10.713 -0.346 1.00 0.00 C ATOM 0 H ALA A 105 7.599 -9.426 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 105 10.241 -10.287 -1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.188 -11.381 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.612 -9.711 0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.582 -11.075 -0.413 1.00 0.00 H new ATOM 1616 N ALA A 106 8.189 -12.529 -2.903 1.00 0.00 N ATOM 1617 CA ALA A 106 8.115 -13.864 -3.486 1.00 0.00 C ATOM 1618 C ALA A 106 8.631 -13.884 -4.921 1.00 0.00 C ATOM 1619 O ALA A 106 8.800 -14.953 -5.509 1.00 0.00 O ATOM 1620 CB ALA A 106 6.684 -14.372 -3.439 1.00 0.00 C ATOM 0 H ALA A 106 7.330 -11.986 -2.986 1.00 0.00 H new ATOM 0 HA ALA A 106 8.754 -14.521 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.637 -15.369 -3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.347 -14.414 -2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.040 -13.698 -4.004 1.00 0.00 H new ATOM 1626 N GLU A 107 8.881 -12.707 -5.481 1.00 0.00 N ATOM 1627 CA GLU A 107 9.368 -12.605 -6.853 1.00 0.00 C ATOM 1628 C GLU A 107 10.892 -12.709 -6.912 1.00 0.00 C ATOM 1629 O GLU A 107 11.477 -12.739 -7.995 1.00 0.00 O ATOM 1630 CB GLU A 107 8.910 -11.284 -7.477 1.00 0.00 C ATOM 1631 CG GLU A 107 9.158 -11.196 -8.975 1.00 0.00 C ATOM 1632 CD GLU A 107 8.731 -9.863 -9.560 1.00 0.00 C ATOM 1633 OE1 GLU A 107 7.529 -9.704 -9.858 1.00 0.00 O ATOM 1634 OE2 GLU A 107 9.599 -8.979 -9.720 1.00 0.00 O ATOM 0 H GLU A 107 8.755 -11.812 -5.009 1.00 0.00 H new ATOM 0 HA GLU A 107 8.950 -13.437 -7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.845 -11.152 -7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.427 -10.461 -6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.218 -11.353 -9.174 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.617 -11.999 -9.477 1.00 0.00 H new ATOM 1641 N ILE A 108 11.530 -12.768 -5.747 1.00 0.00 N ATOM 1642 CA ILE A 108 12.985 -12.863 -5.685 1.00 0.00 C ATOM 1643 C ILE A 108 13.444 -14.236 -5.199 1.00 0.00 C ATOM 1644 O ILE A 108 14.244 -14.898 -5.860 1.00 0.00 O ATOM 1645 CB ILE A 108 13.586 -11.773 -4.774 1.00 0.00 C ATOM 1646 CG1 ILE A 108 12.892 -11.771 -3.409 1.00 0.00 C ATOM 1647 CG2 ILE A 108 13.470 -10.409 -5.436 1.00 0.00 C ATOM 1648 CD1 ILE A 108 13.513 -10.815 -2.413 1.00 0.00 C ATOM 0 H ILE A 108 11.066 -12.752 -4.839 1.00 0.00 H new ATOM 0 HA ILE A 108 13.345 -12.713 -6.703 1.00 0.00 H new ATOM 0 HB ILE A 108 14.642 -11.993 -4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.843 -11.509 -3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.918 -12.780 -2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.898 -9.649 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.009 -10.417 -6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 108 12.420 -10.181 -5.618 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.969 -10.868 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 108 14.555 -11.089 -2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.463 -9.799 -2.804 1.00 0.00 H new ATOM 1660 N ALA A 109 12.932 -14.662 -4.046 1.00 0.00 N ATOM 1661 CA ALA A 109 13.301 -15.955 -3.477 1.00 0.00 C ATOM 1662 C ALA A 109 12.485 -16.258 -2.224 1.00 0.00 C ATOM 1663 O ALA A 109 11.384 -15.737 -2.049 1.00 0.00 O ATOM 1664 CB ALA A 109 14.789 -15.981 -3.158 1.00 0.00 C ATOM 0 H ALA A 109 12.262 -14.132 -3.489 1.00 0.00 H new ATOM 0 HA ALA A 109 13.082 -16.726 -4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 109 15.053 -16.950 -2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 109 15.360 -15.817 -4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 109 15.021 -15.195 -2.439 1.00 0.00 H new ATOM 1670 N ASP A 110 13.030 -17.113 -1.362 1.00 0.00 N ATOM 1671 CA ASP A 110 12.359 -17.489 -0.121 1.00 0.00 C ATOM 1672 C ASP A 110 13.355 -17.548 1.033 1.00 0.00 C ATOM 1673 O ASP A 110 14.396 -18.198 0.930 1.00 0.00 O ATOM 1674 CB ASP A 110 11.666 -18.843 -0.284 1.00 0.00 C ATOM 1675 CG ASP A 110 12.636 -19.944 -0.666 1.00 0.00 C ATOM 1676 OD1 ASP A 110 12.853 -20.149 -1.879 1.00 0.00 O ATOM 1677 OD2 ASP A 110 13.178 -20.601 0.247 1.00 0.00 O ATOM 0 H ASP A 110 13.937 -17.559 -1.501 1.00 0.00 H new ATOM 0 HA ASP A 110 11.609 -16.731 0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 110 11.168 -19.108 0.649 1.00 0.00 H new ATOM 0 HB3 ASP A 110 10.892 -18.763 -1.047 1.00 0.00 H new ATOM 1682 N THR A 111 13.028 -16.868 2.131 1.00 0.00 N ATOM 1683 CA THR A 111 13.895 -16.834 3.308 1.00 0.00 C ATOM 1684 C THR A 111 15.217 -16.140 2.991 1.00 0.00 C ATOM 1685 O THR A 111 15.910 -16.514 2.045 1.00 0.00 O ATOM 1686 CB THR A 111 14.181 -18.251 3.844 1.00 0.00 C ATOM 1687 OG1 THR A 111 12.950 -18.911 4.161 1.00 0.00 O ATOM 1688 CG2 THR A 111 15.064 -18.195 5.082 1.00 0.00 C ATOM 0 H THR A 111 12.166 -16.332 2.230 1.00 0.00 H new ATOM 0 HA THR A 111 13.365 -16.271 4.076 1.00 0.00 H new ATOM 0 HB THR A 111 14.705 -18.810 3.069 1.00 0.00 H new ATOM 0 HG1 THR A 111 13.139 -19.811 4.499 1.00 0.00 H new ATOM 0 HG21 THR A 111 15.252 -19.207 5.441 1.00 0.00 H new ATOM 0 HG22 THR A 111 16.011 -17.717 4.832 1.00 0.00 H new ATOM 0 HG23 THR A 111 14.563 -17.621 5.861 1.00 0.00 H new ATOM 1696 N ASP A 112 15.550 -15.118 3.781 1.00 0.00 N ATOM 1697 CA ASP A 112 16.784 -14.360 3.587 1.00 0.00 C ATOM 1698 C ASP A 112 16.671 -13.491 2.344 1.00 0.00 C ATOM 1699 O ASP A 112 17.661 -12.973 1.827 1.00 0.00 O ATOM 1700 CB ASP A 112 17.977 -15.298 3.465 1.00 0.00 C ATOM 1701 CG ASP A 112 18.419 -15.855 4.804 1.00 0.00 C ATOM 1702 OD1 ASP A 112 19.018 -15.096 5.594 1.00 0.00 O ATOM 1703 OD2 ASP A 112 18.165 -17.050 5.063 1.00 0.00 O ATOM 0 H ASP A 112 14.979 -14.797 4.563 1.00 0.00 H new ATOM 0 HA ASP A 112 16.938 -13.720 4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 112 17.720 -16.122 2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 112 18.809 -14.764 3.005 1.00 0.00 H new ATOM 1708 N ALA A 113 15.440 -13.343 1.883 1.00 0.00 N ATOM 1709 CA ALA A 113 15.130 -12.548 0.707 1.00 0.00 C ATOM 1710 C ALA A 113 13.656 -12.155 0.713 1.00 0.00 C ATOM 1711 O ALA A 113 13.311 -10.982 0.577 1.00 0.00 O ATOM 1712 CB ALA A 113 15.467 -13.326 -0.553 1.00 0.00 C ATOM 0 H ALA A 113 14.623 -13.774 2.317 1.00 0.00 H new ATOM 0 HA ALA A 113 15.732 -11.639 0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 113 15.231 -12.721 -1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 113 16.529 -13.570 -0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 113 14.883 -14.246 -0.580 1.00 0.00 H new ATOM 1718 N ALA A 114 12.795 -13.154 0.883 1.00 0.00 N ATOM 1719 CA ALA A 114 11.353 -12.938 0.913 1.00 0.00 C ATOM 1720 C ALA A 114 10.859 -12.730 2.337 1.00 0.00 C ATOM 1721 O ALA A 114 9.657 -12.628 2.579 1.00 0.00 O ATOM 1722 CB ALA A 114 10.638 -14.121 0.291 1.00 0.00 C ATOM 0 H ALA A 114 13.074 -14.128 1.003 1.00 0.00 H new ATOM 0 HA ALA A 114 11.134 -12.038 0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 114 9.562 -13.951 0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.961 -14.239 -0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.876 -15.025 0.851 1.00 0.00 H new ATOM 1728 N ASP A 115 11.794 -12.685 3.274 1.00 0.00 N ATOM 1729 CA ASP A 115 11.460 -12.493 4.679 1.00 0.00 C ATOM 1730 C ASP A 115 12.203 -11.297 5.263 1.00 0.00 C ATOM 1731 O ASP A 115 12.048 -10.980 6.443 1.00 0.00 O ATOM 1732 CB ASP A 115 11.789 -13.753 5.481 1.00 0.00 C ATOM 1733 CG ASP A 115 10.925 -14.934 5.083 1.00 0.00 C ATOM 1734 OD1 ASP A 115 11.222 -15.565 4.047 1.00 0.00 O ATOM 1735 OD2 ASP A 115 9.952 -15.228 5.809 1.00 0.00 O ATOM 0 H ASP A 115 12.792 -12.779 3.087 1.00 0.00 H new ATOM 0 HA ASP A 115 10.390 -12.297 4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.839 -14.009 5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 115 11.654 -13.550 6.543 1.00 0.00 H new ATOM 1740 N ALA A 116 13.011 -10.633 4.440 1.00 0.00 N ATOM 1741 CA ALA A 116 13.771 -9.475 4.891 1.00 0.00 C ATOM 1742 C ALA A 116 13.020 -8.180 4.607 1.00 0.00 C ATOM 1743 O ALA A 116 12.708 -7.421 5.525 1.00 0.00 O ATOM 1744 CB ALA A 116 15.138 -9.449 4.225 1.00 0.00 C ATOM 0 H ALA A 116 13.155 -10.878 3.460 1.00 0.00 H new ATOM 0 HA ALA A 116 13.905 -9.558 5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 116 15.695 -8.578 4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 116 15.685 -10.356 4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 116 15.015 -9.394 3.143 1.00 0.00 H new ATOM 1750 N LEU A 117 12.730 -7.928 3.332 1.00 0.00 N ATOM 1751 CA LEU A 117 12.013 -6.719 2.941 1.00 0.00 C ATOM 1752 C LEU A 117 10.607 -6.725 3.528 1.00 0.00 C ATOM 1753 O LEU A 117 9.938 -5.691 3.578 1.00 0.00 O ATOM 1754 CB LEU A 117 11.969 -6.581 1.406 1.00 0.00 C ATOM 1755 CG LEU A 117 10.956 -7.463 0.657 1.00 0.00 C ATOM 1756 CD1 LEU A 117 10.993 -8.895 1.168 1.00 0.00 C ATOM 1757 CD2 LEU A 117 9.550 -6.885 0.755 1.00 0.00 C ATOM 0 H LEU A 117 12.979 -8.542 2.557 1.00 0.00 H new ATOM 0 HA LEU A 117 12.547 -5.856 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.756 -5.540 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.963 -6.801 1.017 1.00 0.00 H new ATOM 0 HG LEU A 117 11.241 -7.477 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.267 -9.496 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.991 -9.308 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.748 -8.909 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.854 -7.528 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.253 -6.825 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.535 -5.887 0.316 1.00 0.00 H new ATOM 1769 N ILE A 118 10.168 -7.898 3.975 1.00 0.00 N ATOM 1770 CA ILE A 118 8.845 -8.048 4.563 1.00 0.00 C ATOM 1771 C ILE A 118 8.714 -7.181 5.810 1.00 0.00 C ATOM 1772 O ILE A 118 7.609 -6.838 6.233 1.00 0.00 O ATOM 1773 CB ILE A 118 8.556 -9.525 4.913 1.00 0.00 C ATOM 1774 CG1 ILE A 118 8.302 -10.331 3.637 1.00 0.00 C ATOM 1775 CG2 ILE A 118 7.370 -9.643 5.862 1.00 0.00 C ATOM 1776 CD1 ILE A 118 7.124 -9.838 2.824 1.00 0.00 C ATOM 0 H ILE A 118 10.713 -8.760 3.940 1.00 0.00 H new ATOM 0 HA ILE A 118 8.112 -7.721 3.825 1.00 0.00 H new ATOM 0 HB ILE A 118 9.432 -9.932 5.419 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.197 -10.301 3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.135 -11.374 3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 118 7.190 -10.693 6.091 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.586 -9.103 6.784 1.00 0.00 H new ATOM 0 HG23 ILE A 118 6.484 -9.217 5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.009 -10.460 1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.217 -9.894 3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.296 -8.805 2.523 1.00 0.00 H new ATOM 1788 N ASP A 119 9.856 -6.821 6.387 1.00 0.00 N ATOM 1789 CA ASP A 119 9.887 -5.986 7.578 1.00 0.00 C ATOM 1790 C ASP A 119 8.982 -4.771 7.415 1.00 0.00 C ATOM 1791 O ASP A 119 8.204 -4.441 8.308 1.00 0.00 O ATOM 1792 CB ASP A 119 11.317 -5.531 7.858 1.00 0.00 C ATOM 1793 CG ASP A 119 12.004 -6.383 8.908 1.00 0.00 C ATOM 1794 OD1 ASP A 119 12.456 -7.495 8.566 1.00 0.00 O ATOM 1795 OD2 ASP A 119 12.090 -5.937 10.071 1.00 0.00 O ATOM 0 H ASP A 119 10.776 -7.098 6.045 1.00 0.00 H new ATOM 0 HA ASP A 119 9.523 -6.577 8.419 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.893 -5.565 6.933 1.00 0.00 H new ATOM 0 HB3 ASP A 119 11.306 -4.492 8.188 1.00 0.00 H new ATOM 1800 N ARG A 120 9.090 -4.113 6.264 1.00 0.00 N ATOM 1801 CA ARG A 120 8.285 -2.931 5.975 1.00 0.00 C ATOM 1802 C ARG A 120 6.795 -3.248 6.059 1.00 0.00 C ATOM 1803 O ARG A 120 6.010 -2.446 6.567 1.00 0.00 O ATOM 1804 CB ARG A 120 8.620 -2.383 4.585 1.00 0.00 C ATOM 1805 CG ARG A 120 9.981 -1.707 4.497 1.00 0.00 C ATOM 1806 CD ARG A 120 11.119 -2.708 4.615 1.00 0.00 C ATOM 1807 NE ARG A 120 12.423 -2.086 4.403 1.00 0.00 N ATOM 1808 CZ ARG A 120 13.573 -2.634 4.782 1.00 0.00 C ATOM 1809 NH1 ARG A 120 13.579 -3.809 5.399 1.00 0.00 N ATOM 1810 NH2 ARG A 120 14.717 -2.009 4.546 1.00 0.00 N ATOM 0 H ARG A 120 9.729 -4.380 5.515 1.00 0.00 H new ATOM 0 HA ARG A 120 8.521 -2.175 6.724 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.585 -3.201 3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.851 -1.668 4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 120 10.062 -1.175 3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 120 10.069 -0.963 5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 120 11.094 -3.169 5.602 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.976 -3.506 3.887 1.00 0.00 H new ATOM 0 HE ARG A 120 12.453 -1.179 3.937 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.700 -4.293 5.583 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.462 -4.228 5.689 1.00 0.00 H new ATOM 0 HH21 ARG A 120 14.716 -1.105 4.073 1.00 0.00 H new ATOM 0 HH22 ARG A 120 15.598 -2.431 4.838 1.00 0.00 H new ATOM 1824 N TYR A 121 6.411 -4.416 5.552 1.00 0.00 N ATOM 1825 CA TYR A 121 5.012 -4.833 5.568 1.00 0.00 C ATOM 1826 C TYR A 121 4.444 -4.781 6.983 1.00 0.00 C ATOM 1827 O TYR A 121 3.435 -4.123 7.231 1.00 0.00 O ATOM 1828 CB TYR A 121 4.870 -6.247 5.000 1.00 0.00 C ATOM 1829 CG TYR A 121 3.435 -6.711 4.865 1.00 0.00 C ATOM 1830 CD1 TYR A 121 2.726 -7.176 5.966 1.00 0.00 C ATOM 1831 CD2 TYR A 121 2.791 -6.686 3.635 1.00 0.00 C ATOM 1832 CE1 TYR A 121 1.416 -7.604 5.844 1.00 0.00 C ATOM 1833 CE2 TYR A 121 1.482 -7.112 3.504 1.00 0.00 C ATOM 1834 CZ TYR A 121 0.801 -7.569 4.611 1.00 0.00 C ATOM 1835 OH TYR A 121 -0.503 -7.994 4.485 1.00 0.00 O ATOM 0 H TYR A 121 7.047 -5.090 5.126 1.00 0.00 H new ATOM 0 HA TYR A 121 4.447 -4.141 4.943 1.00 0.00 H new ATOM 0 HB2 TYR A 121 5.348 -6.285 4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 121 5.408 -6.943 5.644 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.206 -7.204 6.933 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.322 -6.328 2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.879 -7.963 6.709 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.996 -7.087 2.540 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.788 -7.904 3.552 1.00 0.00 H new ATOM 1845 N HIS A 122 5.097 -5.483 7.902 1.00 0.00 N ATOM 1846 CA HIS A 122 4.656 -5.519 9.294 1.00 0.00 C ATOM 1847 C HIS A 122 4.555 -4.112 9.872 1.00 0.00 C ATOM 1848 O HIS A 122 3.734 -3.850 10.752 1.00 0.00 O ATOM 1849 CB HIS A 122 5.616 -6.361 10.135 1.00 0.00 C ATOM 1850 CG HIS A 122 5.484 -7.833 9.900 1.00 0.00 C ATOM 1851 ND1 HIS A 122 6.058 -8.639 8.976 1.00 0.00 N flip ATOM 1852 CD2 HIS A 122 4.680 -8.648 10.670 1.00 0.00 C flip ATOM 1853 CE1 HIS A 122 5.596 -9.913 9.204 1.00 0.00 C flip ATOM 1854 NE2 HIS A 122 4.767 -9.891 10.231 1.00 0.00 N flip ATOM 0 H HIS A 122 5.933 -6.035 7.710 1.00 0.00 H new ATOM 0 HA HIS A 122 3.666 -5.974 9.321 1.00 0.00 H new ATOM 0 HB2 HIS A 122 6.640 -6.057 9.917 1.00 0.00 H new ATOM 0 HB3 HIS A 122 5.440 -6.153 11.190 1.00 0.00 H new ATOM 0 HD2 HIS A 122 4.074 -8.321 11.502 1.00 0.00 H new ATOM 0 HE1 HIS A 122 5.867 -10.790 8.635 1.00 0.00 H new ATOM 0 HE2 HIS A 122 4.277 -10.697 10.620 1.00 0.00 H new ATOM 1863 N PHE A 123 5.395 -3.211 9.374 1.00 0.00 N ATOM 1864 CA PHE A 123 5.399 -1.831 9.844 1.00 0.00 C ATOM 1865 C PHE A 123 4.114 -1.112 9.442 1.00 0.00 C ATOM 1866 O PHE A 123 3.379 -0.615 10.295 1.00 0.00 O ATOM 1867 CB PHE A 123 6.614 -1.082 9.290 1.00 0.00 C ATOM 1868 CG PHE A 123 7.930 -1.556 9.848 1.00 0.00 C ATOM 1869 CD1 PHE A 123 8.049 -1.909 11.184 1.00 0.00 C ATOM 1870 CD2 PHE A 123 9.048 -1.640 9.035 1.00 0.00 C ATOM 1871 CE1 PHE A 123 9.258 -2.339 11.696 1.00 0.00 C ATOM 1872 CE2 PHE A 123 10.260 -2.070 9.543 1.00 0.00 C ATOM 1873 CZ PHE A 123 10.365 -2.419 10.875 1.00 0.00 C ATOM 0 H PHE A 123 6.081 -3.411 8.646 1.00 0.00 H new ATOM 0 HA PHE A 123 5.458 -1.847 10.932 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.631 -1.189 8.205 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.502 -0.019 9.504 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.187 -1.847 11.831 1.00 0.00 H new ATOM 0 HD2 PHE A 123 8.972 -1.367 7.993 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.337 -2.612 12.738 1.00 0.00 H new ATOM 0 HE2 PHE A 123 11.124 -2.133 8.898 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.311 -2.754 11.274 1.00 0.00 H new ATOM 1883 N LEU A 124 3.849 -1.060 8.139 1.00 0.00 N ATOM 1884 CA LEU A 124 2.652 -0.402 7.628 1.00 0.00 C ATOM 1885 C LEU A 124 1.394 -1.040 8.205 1.00 0.00 C ATOM 1886 O LEU A 124 0.509 -0.348 8.708 1.00 0.00 O ATOM 1887 CB LEU A 124 2.619 -0.475 6.100 1.00 0.00 C ATOM 1888 CG LEU A 124 1.295 -0.053 5.456 1.00 0.00 C ATOM 1889 CD1 LEU A 124 0.969 1.394 5.794 1.00 0.00 C ATOM 1890 CD2 LEU A 124 1.352 -0.252 3.950 1.00 0.00 C ATOM 0 H LEU A 124 4.447 -1.466 7.419 1.00 0.00 H new ATOM 0 HA LEU A 124 2.682 0.643 7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.415 0.157 5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.843 -1.498 5.796 1.00 0.00 H new ATOM 0 HG LEU A 124 0.501 -0.682 5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.025 1.673 5.327 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.886 1.505 6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.763 2.042 5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.404 0.052 3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 124 2.158 0.352 3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.535 -1.303 3.729 1.00 0.00 H new ATOM 1902 N ARG A 125 1.321 -2.364 8.111 1.00 0.00 N ATOM 1903 CA ARG A 125 0.181 -3.113 8.628 1.00 0.00 C ATOM 1904 C ARG A 125 -0.202 -2.644 10.029 1.00 0.00 C ATOM 1905 O ARG A 125 -1.383 -2.582 10.370 1.00 0.00 O ATOM 1906 CB ARG A 125 0.505 -4.607 8.647 1.00 0.00 C ATOM 1907 CG ARG A 125 -0.610 -5.468 9.218 1.00 0.00 C ATOM 1908 CD ARG A 125 -0.240 -6.942 9.192 1.00 0.00 C ATOM 1909 NE ARG A 125 -1.259 -7.774 9.823 1.00 0.00 N ATOM 1910 CZ ARG A 125 -1.168 -9.096 9.929 1.00 0.00 C ATOM 1911 NH1 ARG A 125 -0.108 -9.732 9.449 1.00 0.00 N ATOM 1912 NH2 ARG A 125 -2.138 -9.784 10.516 1.00 0.00 N ATOM 0 H ARG A 125 2.042 -2.943 7.679 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.669 -2.934 7.969 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.721 -4.936 7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 125 1.411 -4.766 9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.820 -5.162 10.243 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.524 -5.310 8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.099 -7.262 8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 125 0.712 -7.086 9.703 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.087 -7.316 10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 125 0.640 -9.207 8.997 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -0.041 -10.746 9.532 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.955 -9.299 10.887 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -2.067 -10.798 10.597 1.00 0.00 H new ATOM 1926 N GLY A 126 0.802 -2.314 10.837 1.00 0.00 N ATOM 1927 CA GLY A 126 0.548 -1.857 12.191 1.00 0.00 C ATOM 1928 C GLY A 126 -0.156 -0.516 12.237 1.00 0.00 C ATOM 1929 O GLY A 126 -0.984 -0.274 13.114 1.00 0.00 O ATOM 0 H GLY A 126 1.788 -2.355 10.577 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -0.058 -2.598 12.712 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.494 -1.784 12.728 1.00 0.00 H new ATOM 1933 N PHE A 127 0.171 0.361 11.291 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.440 1.684 11.235 1.00 0.00 C ATOM 1935 C PHE A 127 -1.909 1.581 10.844 1.00 0.00 C ATOM 1936 O PHE A 127 -2.726 2.417 11.229 1.00 0.00 O ATOM 1937 CB PHE A 127 0.310 2.576 10.243 1.00 0.00 C ATOM 1938 CG PHE A 127 -0.239 3.974 10.153 1.00 0.00 C ATOM 1939 CD1 PHE A 127 -0.418 4.738 11.295 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -0.571 4.523 8.924 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -0.920 6.023 11.214 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.073 5.807 8.838 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.248 6.558 9.983 1.00 0.00 C ATOM 0 H PHE A 127 0.854 0.179 10.555 1.00 0.00 H new ATOM 0 HA PHE A 127 -0.377 2.133 12.226 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.359 2.625 10.533 1.00 0.00 H new ATOM 0 HB3 PHE A 127 0.274 2.116 9.255 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -0.162 4.325 12.259 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -0.436 3.941 8.025 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.056 6.608 12.112 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.329 6.223 7.875 1.00 0.00 H new ATOM 0 HZ PHE A 127 -1.641 7.562 9.917 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.234 0.549 10.075 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.603 0.324 9.633 1.00 0.00 C ATOM 1955 C ALA A 128 -4.520 0.069 10.820 1.00 0.00 C ATOM 1956 O ALA A 128 -5.738 0.204 10.715 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.655 -0.845 8.663 1.00 0.00 C ATOM 0 H ALA A 128 -1.565 -0.147 9.744 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.951 1.222 9.122 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.684 -1.004 8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.031 -0.626 7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.287 -1.744 9.157 1.00 0.00 H new ATOM 1963 N ALA A 129 -3.926 -0.302 11.951 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.688 -0.577 13.163 1.00 0.00 C ATOM 1965 C ALA A 129 -5.117 0.716 13.849 1.00 0.00 C ATOM 1966 O ALA A 129 -6.111 0.744 14.575 1.00 0.00 O ATOM 1967 CB ALA A 129 -3.870 -1.437 14.115 1.00 0.00 C ATOM 0 H ALA A 129 -2.918 -0.419 12.052 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.589 -1.122 12.881 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.450 -1.635 15.016 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.620 -2.380 13.630 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -2.953 -0.912 14.382 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.361 1.784 13.615 1.00 0.00 N ATOM 1974 CA GLY A 130 -4.681 3.067 14.217 1.00 0.00 C ATOM 1975 C GLY A 130 -5.724 3.826 13.421 1.00 0.00 C ATOM 1976 O GLY A 130 -6.226 4.859 13.867 1.00 0.00 O ATOM 0 H GLY A 130 -3.533 1.785 13.020 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.044 2.910 15.233 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.775 3.668 14.292 1.00 0.00 H new ATOM 1980 N HIS A 131 -6.047 3.311 12.240 1.00 0.00 N ATOM 1981 CA HIS A 131 -7.036 3.935 11.371 1.00 0.00 C ATOM 1982 C HIS A 131 -8.457 3.625 11.841 1.00 0.00 C ATOM 1983 O HIS A 131 -8.705 2.576 12.434 1.00 0.00 O ATOM 1984 CB HIS A 131 -6.847 3.452 9.931 1.00 0.00 C ATOM 1985 CG HIS A 131 -5.819 4.225 9.166 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -6.119 5.353 8.433 1.00 0.00 N ATOM 1987 CD2 HIS A 131 -4.488 4.024 9.019 1.00 0.00 C ATOM 1988 CE1 HIS A 131 -5.017 5.811 7.865 1.00 0.00 C ATOM 1989 NE2 HIS A 131 -4.014 5.024 8.205 1.00 0.00 N ATOM 0 H HIS A 131 -5.635 2.458 11.861 1.00 0.00 H new ATOM 0 HA HIS A 131 -6.891 5.014 11.413 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.562 2.400 9.945 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -7.801 3.517 9.408 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -3.908 3.227 9.459 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -4.949 6.682 7.230 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -3.044 5.139 7.911 1.00 0.00 H new ATOM 1998 N PRO A 132 -9.411 4.540 11.581 1.00 0.00 N ATOM 1999 CA PRO A 132 -10.811 4.352 11.975 1.00 0.00 C ATOM 2000 C PRO A 132 -11.454 3.181 11.242 1.00 0.00 C ATOM 2001 O PRO A 132 -12.449 2.617 11.699 1.00 0.00 O ATOM 2002 CB PRO A 132 -11.482 5.670 11.573 1.00 0.00 C ATOM 2003 CG PRO A 132 -10.596 6.246 10.523 1.00 0.00 C ATOM 2004 CD PRO A 132 -9.201 5.822 10.883 1.00 0.00 C ATOM 0 HA PRO A 132 -10.910 4.122 13.036 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -12.489 5.500 11.191 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -11.574 6.343 12.426 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -10.873 5.880 9.534 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -10.679 7.332 10.495 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -8.575 5.702 9.999 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -8.710 6.554 11.524 1.00 0.00 H new ATOM 2012 N GLU A 133 -10.873 2.825 10.102 1.00 0.00 N ATOM 2013 CA GLU A 133 -11.371 1.717 9.297 1.00 0.00 C ATOM 2014 C GLU A 133 -10.468 0.501 9.448 1.00 0.00 C ATOM 2015 O GLU A 133 -10.505 -0.417 8.629 1.00 0.00 O ATOM 2016 CB GLU A 133 -11.460 2.130 7.827 1.00 0.00 C ATOM 2017 CG GLU A 133 -12.596 3.097 7.545 1.00 0.00 C ATOM 2018 CD GLU A 133 -12.217 4.171 6.543 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -11.599 5.176 6.955 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -12.537 4.009 5.348 1.00 0.00 O ATOM 0 H GLU A 133 -10.053 3.290 9.713 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.368 1.454 9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -10.518 2.589 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.589 1.239 7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -13.455 2.542 7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -12.905 3.569 8.477 1.00 0.00 H new ATOM 2027 N ALA A 134 -9.654 0.512 10.501 1.00 0.00 N ATOM 2028 CA ALA A 134 -8.732 -0.581 10.782 1.00 0.00 C ATOM 2029 C ALA A 134 -9.393 -1.932 10.551 1.00 0.00 C ATOM 2030 O ALA A 134 -8.831 -2.800 9.887 1.00 0.00 O ATOM 2031 CB ALA A 134 -8.223 -0.483 12.211 1.00 0.00 C ATOM 0 H ALA A 134 -9.616 1.274 11.178 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.889 -0.497 10.096 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.535 -1.305 12.409 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -7.704 0.466 12.348 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -9.064 -0.539 12.902 1.00 0.00 H new ATOM 2037 N ALA A 135 -10.587 -2.102 11.106 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.328 -3.345 10.961 1.00 0.00 C ATOM 2039 C ALA A 135 -11.432 -3.775 9.499 1.00 0.00 C ATOM 2040 O ALA A 135 -11.207 -4.938 9.169 1.00 0.00 O ATOM 2041 CB ALA A 135 -12.714 -3.203 11.570 1.00 0.00 C ATOM 0 H ALA A 135 -11.062 -1.391 11.662 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.780 -4.122 11.494 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.259 -4.140 11.455 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.623 -2.963 12.629 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.254 -2.404 11.062 1.00 0.00 H new ATOM 2047 N ALA A 136 -11.776 -2.834 8.627 1.00 0.00 N ATOM 2048 CA ALA A 136 -11.920 -3.129 7.205 1.00 0.00 C ATOM 2049 C ALA A 136 -10.569 -3.337 6.522 1.00 0.00 C ATOM 2050 O ALA A 136 -10.429 -4.199 5.656 1.00 0.00 O ATOM 2051 CB ALA A 136 -12.691 -2.015 6.513 1.00 0.00 C ATOM 0 H ALA A 136 -11.960 -1.863 8.878 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.477 -4.062 7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -12.792 -2.247 5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -13.681 -1.925 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.153 -1.074 6.629 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.580 -2.545 6.917 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.246 -2.620 6.327 1.00 0.00 C ATOM 2059 C ILE A 137 -7.519 -3.931 6.633 1.00 0.00 C ATOM 2060 O ILE A 137 -7.037 -4.600 5.719 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.372 -1.445 6.805 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -7.998 -0.115 6.380 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -5.960 -1.575 6.253 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.309 1.094 6.970 1.00 0.00 C ATOM 0 H ILE A 137 -9.676 -1.839 7.647 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.398 -2.570 5.249 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.316 -1.469 7.893 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -7.973 -0.042 5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -9.047 -0.106 6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.355 -0.737 6.600 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.518 -2.509 6.600 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -5.994 -1.572 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -7.806 2.001 6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.357 1.045 8.058 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.266 1.109 6.653 1.00 0.00 H new ATOM 2076 N TYR A 138 -7.436 -4.299 7.909 1.00 0.00 N ATOM 2077 CA TYR A 138 -6.726 -5.516 8.304 1.00 0.00 C ATOM 2078 C TYR A 138 -7.410 -6.767 7.759 1.00 0.00 C ATOM 2079 O TYR A 138 -6.742 -7.733 7.391 1.00 0.00 O ATOM 2080 CB TYR A 138 -6.589 -5.596 9.829 1.00 0.00 C ATOM 2081 CG TYR A 138 -7.695 -6.360 10.521 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -8.898 -5.745 10.838 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -7.532 -7.697 10.863 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -9.909 -6.440 11.476 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -8.538 -8.400 11.499 1.00 0.00 C ATOM 2086 CZ TYR A 138 -9.724 -7.767 11.804 1.00 0.00 C ATOM 2087 OH TYR A 138 -10.727 -8.461 12.439 1.00 0.00 O ATOM 0 H TYR A 138 -7.848 -3.778 8.683 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.728 -5.469 7.869 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -5.635 -6.065 10.071 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -6.558 -4.584 10.231 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -9.047 -4.706 10.582 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.603 -8.195 10.628 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.839 -5.946 11.716 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.396 -9.439 11.756 1.00 0.00 H new ATOM 0 HH TYR A 138 -10.437 -9.383 12.598 1.00 0.00 H new ATOM 2097 N ARG A 139 -8.736 -6.752 7.710 1.00 0.00 N ATOM 2098 CA ARG A 139 -9.477 -7.895 7.195 1.00 0.00 C ATOM 2099 C ARG A 139 -9.340 -7.954 5.680 1.00 0.00 C ATOM 2100 O ARG A 139 -9.365 -9.030 5.083 1.00 0.00 O ATOM 2101 CB ARG A 139 -10.951 -7.817 7.600 1.00 0.00 C ATOM 2102 CG ARG A 139 -11.735 -6.731 6.880 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.141 -6.602 7.442 1.00 0.00 C ATOM 2104 NE ARG A 139 -13.876 -7.862 7.369 1.00 0.00 N ATOM 2105 CZ ARG A 139 -14.946 -8.136 8.110 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -15.399 -7.245 8.981 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -15.561 -9.304 7.981 1.00 0.00 N ATOM 0 H ARG A 139 -9.315 -5.970 8.017 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.061 -8.806 7.626 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -11.422 -8.780 7.405 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.013 -7.644 8.674 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.214 -5.779 6.976 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -11.786 -6.961 5.816 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -13.088 -6.273 8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -13.683 -5.833 6.891 1.00 0.00 H new ATOM 0 HE ARG A 139 -13.550 -8.572 6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -14.927 -6.347 9.084 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -16.220 -7.458 9.548 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -15.213 -9.992 7.313 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -16.382 -9.514 8.549 1.00 0.00 H new ATOM 2121 N ALA A 140 -9.189 -6.782 5.070 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.031 -6.681 3.626 1.00 0.00 C ATOM 2123 C ALA A 140 -7.732 -7.341 3.179 1.00 0.00 C ATOM 2124 O ALA A 140 -7.659 -7.927 2.100 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.065 -5.226 3.190 1.00 0.00 C ATOM 0 H ALA A 140 -9.173 -5.886 5.558 1.00 0.00 H new ATOM 0 HA ALA A 140 -9.861 -7.205 3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -8.946 -5.167 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.020 -4.783 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.254 -4.682 3.674 1.00 0.00 H new ATOM 2131 N ILE A 141 -6.707 -7.242 4.020 1.00 0.00 N ATOM 2132 CA ILE A 141 -5.411 -7.834 3.714 1.00 0.00 C ATOM 2133 C ILE A 141 -5.292 -9.229 4.317 1.00 0.00 C ATOM 2134 O ILE A 141 -4.385 -9.989 3.976 1.00 0.00 O ATOM 2135 CB ILE A 141 -4.253 -6.961 4.235 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -4.320 -6.844 5.760 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -4.299 -5.584 3.589 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -3.107 -6.176 6.371 1.00 0.00 C ATOM 0 H ILE A 141 -6.749 -6.758 4.917 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.342 -7.900 2.628 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.309 -7.435 3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -5.211 -6.280 6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -4.430 -7.840 6.188 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.475 -4.978 3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.209 -5.686 2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.246 -5.100 3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -3.225 -6.128 7.454 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -2.214 -6.752 6.128 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -3.008 -5.167 5.972 1.00 0.00 H new ATOM 2150 N ASP A 142 -6.214 -9.557 5.217 1.00 0.00 N ATOM 2151 CA ASP A 142 -6.219 -10.861 5.871 1.00 0.00 C ATOM 2152 C ASP A 142 -6.546 -11.969 4.876 1.00 0.00 C ATOM 2153 O ASP A 142 -7.736 -12.326 4.756 1.00 0.00 O ATOM 2154 CB ASP A 142 -7.229 -10.875 7.020 1.00 0.00 C ATOM 2155 CG ASP A 142 -7.252 -12.200 7.755 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -6.457 -12.366 8.704 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -8.065 -13.072 7.382 1.00 0.00 O ATOM 2158 OXT ASP A 142 -5.608 -12.472 4.221 1.00 0.00 O ATOM 0 H ASP A 142 -6.968 -8.936 5.510 1.00 0.00 H new ATOM 0 HA ASP A 142 -5.222 -11.042 6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -6.987 -10.078 7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.224 -10.663 6.628 1.00 0.00 H new TER 2163 ASP A 142