USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 426 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 Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.328 K(o=-0.33,f=-6.5!) USER MOD Single : A 62 THR OG1 : rot 130:sc= -0.0977 USER MOD Single : A 70 THR OG1 : rot 67:sc= 1.17 USER MOD Single : A 71 MET CE :methyl 149:sc= 0 (180deg=-0.682) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 153:sc= 1.23 (180deg=1.12) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.35 F(o=-5.1!,f=-1.4) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 93:sc= 0.309 USER MOD Single : A 107 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.6!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -2.61! C(o=-2.6!,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 48 14.198 -0.903 -1.269 1.00 0.00 N ATOM 29 CA LEU A 48 12.997 -0.166 -1.630 1.00 0.00 C ATOM 30 C LEU A 48 12.819 1.140 -0.861 1.00 0.00 C ATOM 31 O LEU A 48 11.803 1.812 -1.028 1.00 0.00 O ATOM 32 CB LEU A 48 11.775 -1.066 -1.442 1.00 0.00 C ATOM 33 CG LEU A 48 11.257 -1.714 -2.725 1.00 0.00 C ATOM 34 CD1 LEU A 48 10.611 -0.660 -3.601 1.00 0.00 C ATOM 35 CD2 LEU A 48 12.383 -2.413 -3.476 1.00 0.00 C ATOM 0 HA LEU A 48 13.105 0.120 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.026 -1.852 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.972 -0.478 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 48 10.514 -2.467 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.242 -1.124 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.780 -0.202 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.346 0.104 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.988 -2.866 -4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.152 -1.686 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.816 -3.188 -2.843 1.00 0.00 H new ATOM 47 N GLN A 49 13.782 1.499 -0.017 1.00 0.00 N ATOM 48 CA GLN A 49 13.661 2.711 0.799 1.00 0.00 C ATOM 49 C GLN A 49 13.449 3.967 -0.050 1.00 0.00 C ATOM 50 O GLN A 49 12.783 4.902 0.394 1.00 0.00 O ATOM 51 CB GLN A 49 14.870 2.892 1.714 1.00 0.00 C ATOM 52 CG GLN A 49 14.937 1.867 2.828 1.00 0.00 C ATOM 53 CD GLN A 49 15.740 2.354 4.013 1.00 0.00 C ATOM 54 OE1 GLN A 49 15.196 2.978 4.925 1.00 0.00 O ATOM 55 NE2 GLN A 49 17.028 2.069 4.019 1.00 0.00 N ATOM 0 H GLN A 49 14.647 0.977 0.122 1.00 0.00 H new ATOM 0 HA GLN A 49 12.773 2.575 1.417 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.781 2.831 1.118 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.841 3.891 2.150 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.926 1.622 3.154 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.380 0.948 2.446 1.00 0.00 H new ATOM 0 HE21 GLN A 49 17.439 1.550 3.243 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.613 2.368 4.799 1.00 0.00 H new ATOM 64 N ASP A 50 14.003 3.992 -1.259 1.00 0.00 N ATOM 65 CA ASP A 50 13.760 5.102 -2.186 1.00 0.00 C ATOM 66 C ASP A 50 12.266 5.236 -2.449 1.00 0.00 C ATOM 67 O ASP A 50 11.659 6.280 -2.182 1.00 0.00 O ATOM 68 CB ASP A 50 14.495 4.896 -3.518 1.00 0.00 C ATOM 69 CG ASP A 50 16.004 4.965 -3.390 1.00 0.00 C ATOM 70 OD1 ASP A 50 16.549 6.080 -3.263 1.00 0.00 O ATOM 71 OD2 ASP A 50 16.654 3.903 -3.438 1.00 0.00 O ATOM 0 H ASP A 50 14.619 3.264 -1.621 1.00 0.00 H new ATOM 0 HA ASP A 50 14.141 6.012 -1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.217 3.927 -3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.163 5.653 -4.228 1.00 0.00 H new ATOM 76 N MET A 51 11.672 4.153 -2.940 1.00 0.00 N ATOM 77 CA MET A 51 10.239 4.119 -3.199 1.00 0.00 C ATOM 78 C MET A 51 9.469 4.379 -1.906 1.00 0.00 C ATOM 79 O MET A 51 8.404 4.986 -1.919 1.00 0.00 O ATOM 80 CB MET A 51 9.827 2.764 -3.793 1.00 0.00 C ATOM 81 CG MET A 51 8.368 2.701 -4.238 1.00 0.00 C ATOM 82 SD MET A 51 8.050 3.671 -5.725 1.00 0.00 S ATOM 83 CE MET A 51 6.290 3.410 -5.931 1.00 0.00 C ATOM 0 H MET A 51 12.162 3.288 -3.166 1.00 0.00 H new ATOM 0 HA MET A 51 10.000 4.899 -3.921 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.467 2.543 -4.647 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.005 1.985 -3.052 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.093 1.662 -4.421 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.731 3.062 -3.431 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.943 3.949 -6.813 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.092 2.345 -6.055 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.762 3.777 -5.051 1.00 0.00 H new ATOM 93 N ILE A 52 10.033 3.932 -0.786 1.00 0.00 N ATOM 94 CA ILE A 52 9.402 4.116 0.517 1.00 0.00 C ATOM 95 C ILE A 52 9.316 5.600 0.863 1.00 0.00 C ATOM 96 O ILE A 52 8.300 6.069 1.376 1.00 0.00 O ATOM 97 CB ILE A 52 10.160 3.361 1.641 1.00 0.00 C ATOM 98 CG1 ILE A 52 10.011 1.847 1.463 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.659 3.786 3.017 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.709 1.035 2.532 1.00 0.00 C ATOM 0 H ILE A 52 10.926 3.440 -0.756 1.00 0.00 H new ATOM 0 HA ILE A 52 8.398 3.698 0.449 1.00 0.00 H new ATOM 0 HB ILE A 52 11.217 3.619 1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.951 1.593 1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.408 1.564 0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.206 3.242 3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.817 4.857 3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.595 3.563 3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.559 -0.027 2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.776 1.258 2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.296 1.288 3.509 1.00 0.00 H new ATOM 112 N ASN A 53 10.374 6.335 0.534 1.00 0.00 N ATOM 113 CA ASN A 53 10.440 7.763 0.830 1.00 0.00 C ATOM 114 C ASN A 53 9.544 8.551 -0.119 1.00 0.00 C ATOM 115 O ASN A 53 9.178 9.690 0.162 1.00 0.00 O ATOM 116 CB ASN A 53 11.881 8.290 0.755 1.00 0.00 C ATOM 117 CG ASN A 53 12.707 7.976 1.996 1.00 0.00 C ATOM 118 OD1 ASN A 53 12.483 6.816 2.596 1.00 0.00 O flip ATOM 119 ND2 ASN A 53 13.556 8.771 2.404 1.00 0.00 N flip ATOM 0 H ASN A 53 11.199 5.965 0.062 1.00 0.00 H new ATOM 0 HA ASN A 53 10.084 7.901 1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.372 7.859 -0.118 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.858 9.370 0.607 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.702 9.655 1.917 1.00 0.00 H new ATOM 0 HD22 ASN A 53 14.113 8.544 3.228 1.00 0.00 H new ATOM 126 N GLU A 54 9.196 7.946 -1.249 1.00 0.00 N ATOM 127 CA GLU A 54 8.267 8.567 -2.184 1.00 0.00 C ATOM 128 C GLU A 54 6.816 8.330 -1.763 1.00 0.00 C ATOM 129 O GLU A 54 5.946 9.169 -2.003 1.00 0.00 O ATOM 130 CB GLU A 54 8.475 8.005 -3.591 1.00 0.00 C ATOM 131 CG GLU A 54 9.824 8.338 -4.202 1.00 0.00 C ATOM 132 CD GLU A 54 9.998 7.713 -5.568 1.00 0.00 C ATOM 133 OE1 GLU A 54 9.209 8.039 -6.480 1.00 0.00 O ATOM 134 OE2 GLU A 54 10.923 6.894 -5.740 1.00 0.00 O ATOM 0 H GLU A 54 9.541 7.031 -1.538 1.00 0.00 H new ATOM 0 HA GLU A 54 8.465 9.639 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.362 6.921 -3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.689 8.388 -4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.928 9.420 -4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.617 7.990 -3.540 1.00 0.00 H new ATOM 141 N VAL A 55 6.565 7.184 -1.140 1.00 0.00 N ATOM 142 CA VAL A 55 5.197 6.765 -0.834 1.00 0.00 C ATOM 143 C VAL A 55 4.678 7.360 0.480 1.00 0.00 C ATOM 144 O VAL A 55 3.484 7.650 0.606 1.00 0.00 O ATOM 145 CB VAL A 55 5.094 5.220 -0.787 1.00 0.00 C ATOM 146 CG1 VAL A 55 3.729 4.764 -0.292 1.00 0.00 C ATOM 147 CG2 VAL A 55 5.376 4.632 -2.161 1.00 0.00 C ATOM 0 H VAL A 55 7.286 6.529 -0.837 1.00 0.00 H new ATOM 0 HA VAL A 55 4.569 7.148 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 55 5.842 4.859 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.694 3.675 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.559 5.150 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.955 5.140 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.300 3.546 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.649 5.016 -2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.381 4.913 -2.478 1.00 0.00 H new ATOM 157 N ASP A 56 5.561 7.553 1.453 1.00 0.00 N ATOM 158 CA ASP A 56 5.155 8.173 2.711 1.00 0.00 C ATOM 159 C ASP A 56 4.640 9.592 2.480 1.00 0.00 C ATOM 160 O ASP A 56 5.250 10.387 1.763 1.00 0.00 O ATOM 161 CB ASP A 56 6.291 8.170 3.747 1.00 0.00 C ATOM 162 CG ASP A 56 7.441 9.104 3.416 1.00 0.00 C ATOM 163 OD1 ASP A 56 7.310 10.324 3.648 1.00 0.00 O ATOM 164 OD2 ASP A 56 8.499 8.614 2.977 1.00 0.00 O ATOM 0 H ASP A 56 6.546 7.295 1.399 1.00 0.00 H new ATOM 0 HA ASP A 56 4.342 7.572 3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.882 8.447 4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.678 7.155 3.842 1.00 0.00 H new ATOM 169 N ALA A 57 3.489 9.885 3.066 1.00 0.00 N ATOM 170 CA ALA A 57 2.873 11.198 2.926 1.00 0.00 C ATOM 171 C ALA A 57 3.228 12.088 4.107 1.00 0.00 C ATOM 172 O ALA A 57 3.293 13.310 3.985 1.00 0.00 O ATOM 173 CB ALA A 57 1.363 11.066 2.798 1.00 0.00 C ATOM 0 H ALA A 57 2.961 9.231 3.644 1.00 0.00 H new ATOM 0 HA ALA A 57 3.260 11.661 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.919 12.056 2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.123 10.467 1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.963 10.580 3.688 1.00 0.00 H new ATOM 179 N ASP A 58 3.457 11.459 5.252 1.00 0.00 N ATOM 180 CA ASP A 58 3.805 12.181 6.473 1.00 0.00 C ATOM 181 C ASP A 58 5.146 11.685 6.991 1.00 0.00 C ATOM 182 O ASP A 58 5.655 12.162 8.005 1.00 0.00 O ATOM 183 CB ASP A 58 2.741 11.992 7.551 1.00 0.00 C ATOM 184 CG ASP A 58 2.738 10.589 8.102 1.00 0.00 C ATOM 185 OD1 ASP A 58 2.340 9.660 7.383 1.00 0.00 O ATOM 186 OD2 ASP A 58 3.146 10.409 9.267 1.00 0.00 O ATOM 0 H ASP A 58 3.408 10.446 5.363 1.00 0.00 H new ATOM 0 HA ASP A 58 3.865 13.243 6.236 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.917 12.699 8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.759 12.220 7.136 1.00 0.00 H new ATOM 191 N GLY A 59 5.714 10.723 6.278 1.00 0.00 N ATOM 192 CA GLY A 59 6.959 10.125 6.697 1.00 0.00 C ATOM 193 C GLY A 59 6.817 9.030 7.735 1.00 0.00 C ATOM 194 O GLY A 59 7.753 8.792 8.497 1.00 0.00 O ATOM 0 H GLY A 59 5.330 10.346 5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.462 9.714 5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.605 10.906 7.098 1.00 0.00 H new ATOM 198 N ASN A 60 5.671 8.353 7.797 1.00 0.00 N ATOM 199 CA ASN A 60 5.557 7.172 8.651 1.00 0.00 C ATOM 200 C ASN A 60 6.233 5.949 8.024 1.00 0.00 C ATOM 201 O ASN A 60 6.336 4.901 8.658 1.00 0.00 O ATOM 202 CB ASN A 60 4.086 6.859 9.001 1.00 0.00 C ATOM 203 CG ASN A 60 3.156 6.706 7.799 1.00 0.00 C ATOM 204 OD1 ASN A 60 3.298 7.381 6.779 1.00 0.00 O ATOM 205 ND2 ASN A 60 2.166 5.833 7.925 1.00 0.00 N ATOM 0 H ASN A 60 4.826 8.594 7.279 1.00 0.00 H new ATOM 0 HA ASN A 60 6.081 7.406 9.578 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.055 5.939 9.585 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.703 7.655 9.639 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.497 5.707 7.165 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.073 5.287 8.782 1.00 0.00 H new ATOM 212 N GLY A 61 6.687 6.084 6.777 1.00 0.00 N ATOM 213 CA GLY A 61 7.456 5.021 6.136 1.00 0.00 C ATOM 214 C GLY A 61 6.582 3.921 5.567 1.00 0.00 C ATOM 215 O GLY A 61 7.072 2.956 4.980 1.00 0.00 O ATOM 0 H GLY A 61 6.537 6.910 6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.060 5.449 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.146 4.591 6.862 1.00 0.00 H new ATOM 219 N THR A 62 5.289 4.069 5.752 1.00 0.00 N ATOM 220 CA THR A 62 4.324 3.119 5.249 1.00 0.00 C ATOM 221 C THR A 62 3.080 3.871 4.821 1.00 0.00 C ATOM 222 O THR A 62 2.865 5.009 5.234 1.00 0.00 O ATOM 223 CB THR A 62 3.944 2.075 6.327 1.00 0.00 C ATOM 224 OG1 THR A 62 3.034 1.105 5.785 1.00 0.00 O ATOM 225 CG2 THR A 62 3.311 2.750 7.533 1.00 0.00 C ATOM 0 H THR A 62 4.877 4.854 6.257 1.00 0.00 H new ATOM 0 HA THR A 62 4.765 2.588 4.405 1.00 0.00 H new ATOM 0 HB THR A 62 4.857 1.572 6.645 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.359 0.203 5.987 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.052 1.997 8.277 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.017 3.460 7.965 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.409 3.278 7.223 1.00 0.00 H new ATOM 233 N ILE A 63 2.279 3.261 3.979 1.00 0.00 N ATOM 234 CA ILE A 63 0.988 3.816 3.667 1.00 0.00 C ATOM 235 C ILE A 63 -0.022 3.299 4.685 1.00 0.00 C ATOM 236 O ILE A 63 0.063 2.149 5.128 1.00 0.00 O ATOM 237 CB ILE A 63 0.560 3.479 2.211 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.395 4.769 1.400 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.720 2.653 2.173 1.00 0.00 C ATOM 240 CD1 ILE A 63 0.099 4.535 -0.067 1.00 0.00 C ATOM 0 H ILE A 63 2.498 2.387 3.502 1.00 0.00 H new ATOM 0 HA ILE A 63 1.035 4.903 3.727 1.00 0.00 H new ATOM 0 HB ILE A 63 1.348 2.874 1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.412 5.359 1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.306 5.361 1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.984 2.439 1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.565 1.717 2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.528 3.212 2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.004 5.494 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.916 3.972 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.828 3.970 -0.166 1.00 0.00 H new ATOM 252 N ASP A 64 -0.954 4.149 5.069 1.00 0.00 N ATOM 253 CA ASP A 64 -2.004 3.767 5.996 1.00 0.00 C ATOM 254 C ASP A 64 -3.282 3.731 5.184 1.00 0.00 C ATOM 255 O ASP A 64 -3.255 4.126 4.016 1.00 0.00 O ATOM 256 CB ASP A 64 -2.116 4.775 7.144 1.00 0.00 C ATOM 257 CG ASP A 64 -2.833 4.215 8.360 1.00 0.00 C ATOM 258 OD1 ASP A 64 -4.080 4.235 8.386 1.00 0.00 O ATOM 259 OD2 ASP A 64 -2.151 3.762 9.300 1.00 0.00 O ATOM 0 H ASP A 64 -1.006 5.117 4.751 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.795 2.800 6.454 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.116 5.097 7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.646 5.660 6.792 1.00 0.00 H new ATOM 264 N PHE A 65 -4.382 3.274 5.759 1.00 0.00 N ATOM 265 CA PHE A 65 -5.631 3.160 5.010 1.00 0.00 C ATOM 266 C PHE A 65 -5.989 4.458 4.271 1.00 0.00 C ATOM 267 O PHE A 65 -6.169 4.435 3.054 1.00 0.00 O ATOM 268 CB PHE A 65 -6.775 2.710 5.922 1.00 0.00 C ATOM 269 CG PHE A 65 -6.589 1.318 6.451 1.00 0.00 C ATOM 270 CD1 PHE A 65 -7.024 0.225 5.720 1.00 0.00 C ATOM 271 CD2 PHE A 65 -5.971 1.100 7.670 1.00 0.00 C ATOM 272 CE1 PHE A 65 -6.846 -1.060 6.198 1.00 0.00 C ATOM 273 CE2 PHE A 65 -5.793 -0.181 8.155 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.230 -1.263 7.418 1.00 0.00 C ATOM 0 H PHE A 65 -4.440 2.977 6.733 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.479 2.396 4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.859 3.403 6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.714 2.761 5.370 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.507 0.378 4.766 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.623 1.942 8.250 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.188 -1.904 5.618 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.312 -0.336 9.110 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.091 -2.266 7.794 1.00 0.00 H new ATOM 284 N PRO A 66 -6.083 5.611 4.970 1.00 0.00 N ATOM 285 CA PRO A 66 -6.365 6.894 4.316 1.00 0.00 C ATOM 286 C PRO A 66 -5.306 7.275 3.279 1.00 0.00 C ATOM 287 O PRO A 66 -5.637 7.787 2.211 1.00 0.00 O ATOM 288 CB PRO A 66 -6.363 7.901 5.469 1.00 0.00 C ATOM 289 CG PRO A 66 -6.618 7.088 6.686 1.00 0.00 C ATOM 290 CD PRO A 66 -5.956 5.768 6.433 1.00 0.00 C ATOM 0 HA PRO A 66 -7.304 6.860 3.763 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.409 8.424 5.536 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.133 8.660 5.332 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.206 7.570 7.573 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.687 6.964 6.858 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.913 5.772 6.750 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.450 4.959 6.971 1.00 0.00 H new ATOM 298 N GLU A 67 -4.037 6.997 3.576 1.00 0.00 N ATOM 299 CA GLU A 67 -2.948 7.402 2.693 1.00 0.00 C ATOM 300 C GLU A 67 -2.991 6.618 1.382 1.00 0.00 C ATOM 301 O GLU A 67 -2.810 7.190 0.306 1.00 0.00 O ATOM 302 CB GLU A 67 -1.596 7.228 3.392 1.00 0.00 C ATOM 303 CG GLU A 67 -1.443 8.131 4.607 1.00 0.00 C ATOM 304 CD GLU A 67 -0.129 7.956 5.350 1.00 0.00 C ATOM 305 OE1 GLU A 67 -0.020 7.087 6.227 1.00 0.00 O ATOM 306 OE2 GLU A 67 0.862 8.609 5.001 1.00 0.00 O ATOM 0 H GLU A 67 -3.741 6.497 4.414 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.074 8.458 2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.482 6.189 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.795 7.440 2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.532 9.169 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.266 7.938 5.296 1.00 0.00 H new ATOM 313 N PHE A 68 -3.238 5.315 1.478 1.00 0.00 N ATOM 314 CA PHE A 68 -3.366 4.470 0.291 1.00 0.00 C ATOM 315 C PHE A 68 -4.446 5.003 -0.635 1.00 0.00 C ATOM 316 O PHE A 68 -4.221 5.177 -1.832 1.00 0.00 O ATOM 317 CB PHE A 68 -3.702 3.028 0.680 1.00 0.00 C ATOM 318 CG PHE A 68 -3.784 2.089 -0.493 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.640 1.722 -1.185 1.00 0.00 C ATOM 320 CD2 PHE A 68 -5.004 1.571 -0.898 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.712 0.859 -2.262 1.00 0.00 C ATOM 322 CE2 PHE A 68 -5.081 0.707 -1.974 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.936 0.362 -2.666 1.00 0.00 C ATOM 0 H PHE A 68 -3.354 4.820 2.363 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.407 4.485 -0.228 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.946 2.663 1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.654 3.017 1.211 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.682 2.115 -0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.904 1.845 -0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.812 0.573 -2.787 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.036 0.302 -2.274 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.998 -0.295 -3.521 1.00 0.00 H new ATOM 333 N LEU A 69 -5.603 5.287 -0.061 1.00 0.00 N ATOM 334 CA LEU A 69 -6.747 5.733 -0.825 1.00 0.00 C ATOM 335 C LEU A 69 -6.498 7.068 -1.492 1.00 0.00 C ATOM 336 O LEU A 69 -6.963 7.304 -2.607 1.00 0.00 O ATOM 337 CB LEU A 69 -7.967 5.812 0.076 1.00 0.00 C ATOM 338 CG LEU A 69 -8.778 4.530 0.137 1.00 0.00 C ATOM 339 CD1 LEU A 69 -9.245 4.169 -1.258 1.00 0.00 C ATOM 340 CD2 LEU A 69 -7.966 3.395 0.736 1.00 0.00 C ATOM 0 H LEU A 69 -5.772 5.214 0.942 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.924 5.005 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.644 6.073 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.611 6.620 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.643 4.691 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.828 3.249 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.863 4.974 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.380 4.024 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.573 2.490 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.082 3.218 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.660 3.661 1.748 1.00 0.00 H new ATOM 352 N THR A 70 -5.746 7.931 -0.831 1.00 0.00 N ATOM 353 CA THR A 70 -5.489 9.249 -1.367 1.00 0.00 C ATOM 354 C THR A 70 -4.440 9.178 -2.478 1.00 0.00 C ATOM 355 O THR A 70 -4.600 9.783 -3.531 1.00 0.00 O ATOM 356 CB THR A 70 -5.017 10.223 -0.269 1.00 0.00 C ATOM 357 OG1 THR A 70 -5.920 10.181 0.845 1.00 0.00 O ATOM 358 CG2 THR A 70 -4.936 11.648 -0.803 1.00 0.00 C ATOM 0 H THR A 70 -5.307 7.742 0.070 1.00 0.00 H new ATOM 0 HA THR A 70 -6.426 9.625 -1.777 1.00 0.00 H new ATOM 0 HB THR A 70 -4.023 9.914 0.053 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.860 9.306 1.282 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.601 12.316 -0.009 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.229 11.686 -1.632 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.920 11.963 -1.150 1.00 0.00 H new ATOM 366 N MET A 71 -3.372 8.428 -2.222 1.00 0.00 N ATOM 367 CA MET A 71 -2.300 8.218 -3.196 1.00 0.00 C ATOM 368 C MET A 71 -2.810 7.493 -4.432 1.00 0.00 C ATOM 369 O MET A 71 -2.373 7.777 -5.546 1.00 0.00 O ATOM 370 CB MET A 71 -1.144 7.427 -2.576 1.00 0.00 C ATOM 371 CG MET A 71 -0.317 8.222 -1.579 1.00 0.00 C ATOM 372 SD MET A 71 0.455 9.677 -2.317 1.00 0.00 S ATOM 373 CE MET A 71 1.438 10.269 -0.943 1.00 0.00 C ATOM 0 H MET A 71 -3.223 7.948 -1.334 1.00 0.00 H new ATOM 0 HA MET A 71 -1.937 9.202 -3.494 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.547 6.545 -2.078 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.491 7.072 -3.373 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.954 8.534 -0.752 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.457 7.578 -1.160 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.335 10.759 -1.322 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.855 10.981 -0.359 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.723 9.428 -0.311 1.00 0.00 H new ATOM 383 N MET A 72 -3.716 6.546 -4.237 1.00 0.00 N ATOM 384 CA MET A 72 -4.359 5.894 -5.367 1.00 0.00 C ATOM 385 C MET A 72 -5.190 6.915 -6.134 1.00 0.00 C ATOM 386 O MET A 72 -4.895 7.222 -7.294 1.00 0.00 O ATOM 387 CB MET A 72 -5.231 4.720 -4.912 1.00 0.00 C ATOM 388 CG MET A 72 -5.856 3.950 -6.066 1.00 0.00 C ATOM 389 SD MET A 72 -4.631 3.355 -7.251 1.00 0.00 S ATOM 390 CE MET A 72 -5.682 2.469 -8.401 1.00 0.00 C ATOM 0 H MET A 72 -4.019 6.216 -3.321 1.00 0.00 H new ATOM 0 HA MET A 72 -3.587 5.490 -6.022 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.626 4.038 -4.315 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.023 5.095 -4.264 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.415 3.102 -5.671 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.571 4.592 -6.580 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.072 2.041 -9.196 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.205 1.670 -7.875 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.410 3.156 -8.833 1.00 0.00 H new ATOM 400 N ALA A 73 -6.221 7.444 -5.471 1.00 0.00 N ATOM 401 CA ALA A 73 -7.072 8.500 -6.022 1.00 0.00 C ATOM 402 C ALA A 73 -6.295 9.692 -6.562 1.00 0.00 C ATOM 403 O ALA A 73 -6.873 10.528 -7.262 1.00 0.00 O ATOM 404 CB ALA A 73 -8.060 8.977 -4.969 1.00 0.00 C ATOM 0 H ALA A 73 -6.490 7.150 -4.532 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.596 8.055 -6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.688 9.762 -5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.686 8.142 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.515 9.369 -4.110 1.00 0.00 H new ATOM 410 N ARG A 74 -5.007 9.795 -6.218 1.00 0.00 N ATOM 411 CA ARG A 74 -4.180 10.881 -6.717 1.00 0.00 C ATOM 412 C ARG A 74 -4.372 11.048 -8.219 1.00 0.00 C ATOM 413 O ARG A 74 -4.501 12.163 -8.725 1.00 0.00 O ATOM 414 CB ARG A 74 -2.691 10.676 -6.420 1.00 0.00 C ATOM 415 CG ARG A 74 -2.271 11.080 -5.015 1.00 0.00 C ATOM 416 CD ARG A 74 -2.766 12.472 -4.649 1.00 0.00 C ATOM 417 NE ARG A 74 -2.370 13.481 -5.630 1.00 0.00 N ATOM 418 CZ ARG A 74 -3.187 14.427 -6.092 1.00 0.00 C ATOM 419 NH1 ARG A 74 -4.445 14.486 -5.667 1.00 0.00 N ATOM 420 NH2 ARG A 74 -2.752 15.313 -6.976 1.00 0.00 N ATOM 0 H ARG A 74 -4.524 9.142 -5.601 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.503 11.781 -6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.443 9.625 -6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.107 11.249 -7.140 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.660 10.357 -4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.184 11.050 -4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.853 12.458 -4.565 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.374 12.748 -3.670 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.413 13.460 -5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.786 13.807 -4.987 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.070 15.210 -6.021 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.788 15.273 -7.306 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.381 16.035 -7.326 1.00 0.00 H new ATOM 544 N GLU A 82 -14.112 -0.092 2.676 1.00 0.00 N ATOM 545 CA GLU A 82 -13.072 -0.092 3.700 1.00 0.00 C ATOM 546 C GLU A 82 -12.572 -1.503 4.000 1.00 0.00 C ATOM 547 O GLU A 82 -11.364 -1.728 4.098 1.00 0.00 O ATOM 548 CB GLU A 82 -13.567 0.576 4.980 1.00 0.00 C ATOM 549 CG GLU A 82 -12.481 0.733 6.030 1.00 0.00 C ATOM 550 CD GLU A 82 -12.971 1.423 7.280 1.00 0.00 C ATOM 551 OE1 GLU A 82 -13.655 0.770 8.095 1.00 0.00 O ATOM 552 OE2 GLU A 82 -12.664 2.615 7.466 1.00 0.00 O ATOM 0 HA GLU A 82 -12.234 0.483 3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.973 1.558 4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.384 -0.012 5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.091 -0.250 6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.653 1.302 5.607 1.00 0.00 H new ATOM 559 N GLU A 83 -13.494 -2.455 4.110 1.00 0.00 N ATOM 560 CA GLU A 83 -13.128 -3.836 4.417 1.00 0.00 C ATOM 561 C GLU A 83 -12.326 -4.480 3.280 1.00 0.00 C ATOM 562 O GLU A 83 -11.371 -5.221 3.532 1.00 0.00 O ATOM 563 CB GLU A 83 -14.372 -4.665 4.741 1.00 0.00 C ATOM 564 CG GLU A 83 -15.426 -4.650 3.650 1.00 0.00 C ATOM 565 CD GLU A 83 -16.626 -5.499 4.003 1.00 0.00 C ATOM 566 OE1 GLU A 83 -16.597 -6.718 3.732 1.00 0.00 O ATOM 567 OE2 GLU A 83 -17.608 -4.952 4.542 1.00 0.00 O ATOM 0 H GLU A 83 -14.495 -2.298 3.992 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.485 -3.816 5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.071 -5.696 4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.815 -4.291 5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.749 -3.624 3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.988 -5.012 2.720 1.00 0.00 H new ATOM 574 N GLU A 84 -12.699 -4.186 2.034 1.00 0.00 N ATOM 575 CA GLU A 84 -11.943 -4.672 0.882 1.00 0.00 C ATOM 576 C GLU A 84 -10.554 -4.058 0.894 1.00 0.00 C ATOM 577 O GLU A 84 -9.564 -4.717 0.589 1.00 0.00 O ATOM 578 CB GLU A 84 -12.641 -4.317 -0.434 1.00 0.00 C ATOM 579 CG GLU A 84 -13.946 -5.056 -0.674 1.00 0.00 C ATOM 580 CD GLU A 84 -14.517 -4.781 -2.051 1.00 0.00 C ATOM 581 OE1 GLU A 84 -13.955 -5.296 -3.043 1.00 0.00 O ATOM 582 OE2 GLU A 84 -15.522 -4.042 -2.151 1.00 0.00 O ATOM 0 H GLU A 84 -13.513 -3.618 1.799 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.877 -5.758 0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.837 -3.245 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.961 -4.528 -1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.781 -6.127 -0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.672 -4.762 0.084 1.00 0.00 H new ATOM 589 N ILE A 85 -10.505 -2.790 1.276 1.00 0.00 N ATOM 590 CA ILE A 85 -9.254 -2.065 1.369 1.00 0.00 C ATOM 591 C ILE A 85 -8.330 -2.740 2.382 1.00 0.00 C ATOM 592 O ILE A 85 -7.133 -2.879 2.150 1.00 0.00 O ATOM 593 CB ILE A 85 -9.462 -0.584 1.760 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.372 0.118 0.744 1.00 0.00 C ATOM 595 CG2 ILE A 85 -8.125 0.138 1.856 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.838 0.093 -0.674 1.00 0.00 C ATOM 0 H ILE A 85 -11.327 -2.241 1.528 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.797 -2.084 0.380 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.943 -0.554 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.354 -0.356 0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.513 1.154 1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.293 1.179 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.505 -0.343 2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.619 0.096 0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.535 0.608 -1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.870 0.593 -0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.724 -0.940 -1.002 1.00 0.00 H new ATOM 608 N ARG A 86 -8.903 -3.194 3.496 1.00 0.00 N ATOM 609 CA ARG A 86 -8.135 -3.888 4.528 1.00 0.00 C ATOM 610 C ARG A 86 -7.527 -5.168 3.970 1.00 0.00 C ATOM 611 O ARG A 86 -6.358 -5.486 4.220 1.00 0.00 O ATOM 612 CB ARG A 86 -9.017 -4.244 5.725 1.00 0.00 C ATOM 613 CG ARG A 86 -9.712 -3.059 6.372 1.00 0.00 C ATOM 614 CD ARG A 86 -10.482 -3.490 7.609 1.00 0.00 C ATOM 615 NE ARG A 86 -11.502 -2.520 8.000 1.00 0.00 N ATOM 616 CZ ARG A 86 -12.777 -2.845 8.206 1.00 0.00 C ATOM 617 NH1 ARG A 86 -13.178 -4.102 8.048 1.00 0.00 N ATOM 618 NH2 ARG A 86 -13.659 -1.919 8.551 1.00 0.00 N ATOM 0 H ARG A 86 -9.896 -3.094 3.707 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.343 -3.214 4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.773 -4.960 5.403 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.404 -4.743 6.476 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.974 -2.303 6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.393 -2.597 5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.955 -4.454 7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.785 -3.633 8.435 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.224 -1.546 8.121 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.509 -4.819 7.769 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.155 -4.349 8.206 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.364 -0.949 8.661 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.634 -2.176 8.707 1.00 0.00 H new ATOM 632 N GLU A 87 -8.321 -5.894 3.193 1.00 0.00 N ATOM 633 CA GLU A 87 -7.868 -7.149 2.623 1.00 0.00 C ATOM 634 C GLU A 87 -6.871 -6.869 1.505 1.00 0.00 C ATOM 635 O GLU A 87 -5.973 -7.666 1.242 1.00 0.00 O ATOM 636 CB GLU A 87 -9.051 -7.985 2.121 1.00 0.00 C ATOM 637 CG GLU A 87 -8.673 -9.424 1.814 1.00 0.00 C ATOM 638 CD GLU A 87 -9.874 -10.314 1.565 1.00 0.00 C ATOM 639 OE1 GLU A 87 -10.514 -10.751 2.545 1.00 0.00 O ATOM 640 OE2 GLU A 87 -10.200 -10.564 0.387 1.00 0.00 O ATOM 0 H GLU A 87 -9.276 -5.634 2.946 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.370 -7.732 3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.841 -7.975 2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.460 -7.523 1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.025 -9.444 0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.096 -9.827 2.646 1.00 0.00 H new ATOM 647 N ALA A 88 -7.014 -5.710 0.874 1.00 0.00 N ATOM 648 CA ALA A 88 -6.060 -5.258 -0.123 1.00 0.00 C ATOM 649 C ALA A 88 -4.727 -4.941 0.540 1.00 0.00 C ATOM 650 O ALA A 88 -3.673 -5.247 -0.001 1.00 0.00 O ATOM 651 CB ALA A 88 -6.594 -4.041 -0.865 1.00 0.00 C ATOM 0 H ALA A 88 -7.787 -5.065 1.039 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.909 -6.056 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.864 -3.718 -1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.528 -4.300 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.773 -3.232 -0.156 1.00 0.00 H new ATOM 657 N PHE A 89 -4.785 -4.338 1.727 1.00 0.00 N ATOM 658 CA PHE A 89 -3.586 -4.084 2.527 1.00 0.00 C ATOM 659 C PHE A 89 -2.876 -5.386 2.863 1.00 0.00 C ATOM 660 O PHE A 89 -1.661 -5.419 3.041 1.00 0.00 O ATOM 661 CB PHE A 89 -3.944 -3.339 3.816 1.00 0.00 C ATOM 662 CG PHE A 89 -3.927 -1.845 3.672 1.00 0.00 C ATOM 663 CD1 PHE A 89 -4.825 -1.198 2.842 1.00 0.00 C ATOM 664 CD2 PHE A 89 -2.999 -1.090 4.364 1.00 0.00 C ATOM 665 CE1 PHE A 89 -4.797 0.174 2.706 1.00 0.00 C ATOM 666 CE2 PHE A 89 -2.968 0.282 4.235 1.00 0.00 C ATOM 667 CZ PHE A 89 -3.865 0.914 3.401 1.00 0.00 C ATOM 0 H PHE A 89 -5.652 -4.015 2.157 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.914 -3.462 1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.935 -3.653 4.144 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.243 -3.628 4.599 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.556 -1.774 2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.290 -1.581 5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.504 0.668 2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.242 0.861 4.787 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.838 1.988 3.292 1.00 0.00 H new ATOM 677 N ARG A 90 -3.653 -6.453 2.965 1.00 0.00 N ATOM 678 CA ARG A 90 -3.105 -7.780 3.202 1.00 0.00 C ATOM 679 C ARG A 90 -2.467 -8.350 1.926 1.00 0.00 C ATOM 680 O ARG A 90 -1.462 -9.056 1.989 1.00 0.00 O ATOM 681 CB ARG A 90 -4.219 -8.702 3.695 1.00 0.00 C ATOM 682 CG ARG A 90 -3.768 -10.100 4.076 1.00 0.00 C ATOM 683 CD ARG A 90 -4.962 -10.976 4.408 1.00 0.00 C ATOM 684 NE ARG A 90 -4.573 -12.259 4.985 1.00 0.00 N ATOM 685 CZ ARG A 90 -5.137 -13.418 4.656 1.00 0.00 C ATOM 686 NH1 ARG A 90 -6.006 -13.481 3.655 1.00 0.00 N ATOM 687 NH2 ARG A 90 -4.802 -14.520 5.310 1.00 0.00 N ATOM 0 H ARG A 90 -4.670 -6.426 2.887 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.325 -7.709 3.960 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.696 -8.241 4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.978 -8.780 2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.203 -10.542 3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.097 -10.050 4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.611 -10.449 5.107 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.543 -11.150 3.503 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.826 -12.267 5.680 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.245 -12.638 3.133 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.435 -14.373 3.407 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.114 -14.478 6.062 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.232 -15.411 5.061 1.00 0.00 H new ATOM 701 N VAL A 91 -3.051 -8.023 0.776 1.00 0.00 N ATOM 702 CA VAL A 91 -2.586 -8.545 -0.510 1.00 0.00 C ATOM 703 C VAL A 91 -1.395 -7.747 -1.042 1.00 0.00 C ATOM 704 O VAL A 91 -0.436 -8.317 -1.565 1.00 0.00 O ATOM 705 CB VAL A 91 -3.722 -8.531 -1.559 1.00 0.00 C ATOM 706 CG1 VAL A 91 -3.218 -8.977 -2.925 1.00 0.00 C ATOM 707 CG2 VAL A 91 -4.874 -9.410 -1.104 1.00 0.00 C ATOM 0 H VAL A 91 -3.852 -7.395 0.707 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.269 -9.574 -0.339 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.080 -7.506 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.040 -8.956 -3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.429 -8.303 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.824 -9.991 -2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.665 -9.389 -1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.522 -10.434 -0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.262 -9.039 -0.156 1.00 0.00 H new ATOM 717 N PHE A 92 -1.458 -6.430 -0.890 1.00 0.00 N ATOM 718 CA PHE A 92 -0.406 -5.527 -1.358 1.00 0.00 C ATOM 719 C PHE A 92 0.795 -5.524 -0.412 1.00 0.00 C ATOM 720 O PHE A 92 1.630 -4.620 -0.446 1.00 0.00 O ATOM 721 CB PHE A 92 -0.941 -4.109 -1.549 1.00 0.00 C ATOM 722 CG PHE A 92 -1.810 -3.953 -2.768 1.00 0.00 C ATOM 723 CD1 PHE A 92 -1.261 -3.977 -4.041 1.00 0.00 C ATOM 724 CD2 PHE A 92 -3.180 -3.780 -2.636 1.00 0.00 C ATOM 725 CE1 PHE A 92 -2.061 -3.829 -5.158 1.00 0.00 C ATOM 726 CE2 PHE A 92 -3.984 -3.633 -3.750 1.00 0.00 C ATOM 727 CZ PHE A 92 -3.408 -3.671 -5.026 1.00 0.00 C ATOM 0 H PHE A 92 -2.239 -5.954 -0.439 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.069 -5.899 -2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.513 -3.823 -0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.100 -3.419 -1.621 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.196 -4.113 -4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.623 -3.760 -1.651 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.616 -3.839 -6.142 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.049 -3.490 -3.638 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.030 -3.575 -5.904 1.00 0.00 H new ATOM 737 N ASP A 93 0.861 -6.537 0.428 1.00 0.00 N ATOM 738 CA ASP A 93 1.916 -6.665 1.416 1.00 0.00 C ATOM 739 C ASP A 93 2.503 -8.070 1.311 1.00 0.00 C ATOM 740 O ASP A 93 1.778 -9.030 1.058 1.00 0.00 O ATOM 741 CB ASP A 93 1.345 -6.420 2.818 1.00 0.00 C ATOM 742 CG ASP A 93 2.404 -6.378 3.910 1.00 0.00 C ATOM 743 OD1 ASP A 93 3.462 -7.000 3.780 1.00 0.00 O ATOM 744 OD2 ASP A 93 2.200 -5.740 4.945 1.00 0.00 O ATOM 0 H ASP A 93 0.182 -7.298 0.446 1.00 0.00 H new ATOM 0 HA ASP A 93 2.699 -5.928 1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.798 -5.477 2.818 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.626 -7.206 3.051 1.00 0.00 H new ATOM 749 N LYS A 94 3.810 -8.189 1.520 1.00 0.00 N ATOM 750 CA LYS A 94 4.487 -9.471 1.380 1.00 0.00 C ATOM 751 C LYS A 94 4.220 -10.337 2.611 1.00 0.00 C ATOM 752 O LYS A 94 4.278 -11.568 2.556 1.00 0.00 O ATOM 753 CB LYS A 94 5.999 -9.285 1.193 1.00 0.00 C ATOM 754 CG LYS A 94 6.752 -8.923 2.471 1.00 0.00 C ATOM 755 CD LYS A 94 8.258 -9.027 2.280 1.00 0.00 C ATOM 756 CE LYS A 94 8.815 -7.862 1.480 1.00 0.00 C ATOM 757 NZ LYS A 94 8.855 -6.613 2.285 1.00 0.00 N ATOM 0 H LYS A 94 4.419 -7.415 1.786 1.00 0.00 H new ATOM 0 HA LYS A 94 4.093 -9.966 0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.419 -10.205 0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.168 -8.503 0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.492 -7.908 2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.440 -9.586 3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.745 -9.062 3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.495 -9.961 1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.820 -8.105 1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.202 -7.704 0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.610 -5.994 1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.941 -6.122 2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.042 -6.848 3.281 1.00 0.00 H new ATOM 771 N ASP A 95 3.962 -9.661 3.724 1.00 0.00 N ATOM 772 CA ASP A 95 3.713 -10.311 5.006 1.00 0.00 C ATOM 773 C ASP A 95 2.295 -10.047 5.511 1.00 0.00 C ATOM 774 O ASP A 95 1.901 -10.530 6.573 1.00 0.00 O ATOM 775 CB ASP A 95 4.726 -9.811 6.043 1.00 0.00 C ATOM 776 CG ASP A 95 4.777 -8.294 6.102 1.00 0.00 C ATOM 777 OD1 ASP A 95 3.761 -7.660 6.422 1.00 0.00 O ATOM 778 OD2 ASP A 95 5.851 -7.708 5.894 1.00 0.00 O ATOM 0 H ASP A 95 3.919 -8.643 3.763 1.00 0.00 H new ATOM 0 HA ASP A 95 3.823 -11.386 4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.463 -10.204 7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.715 -10.198 5.799 1.00 0.00 H new ATOM 783 N GLY A 96 1.532 -9.298 4.714 1.00 0.00 N ATOM 784 CA GLY A 96 0.183 -8.883 5.083 1.00 0.00 C ATOM 785 C GLY A 96 0.033 -8.333 6.496 1.00 0.00 C ATOM 786 O GLY A 96 -0.918 -8.695 7.183 1.00 0.00 O ATOM 0 H GLY A 96 1.833 -8.964 3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.151 -8.122 4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.485 -9.737 4.971 1.00 0.00 H new ATOM 790 N ASN A 97 0.929 -7.442 6.941 1.00 0.00 N ATOM 791 CA ASN A 97 0.813 -6.858 8.285 1.00 0.00 C ATOM 792 C ASN A 97 -0.264 -5.771 8.352 1.00 0.00 C ATOM 793 O ASN A 97 -0.300 -4.981 9.298 1.00 0.00 O ATOM 794 CB ASN A 97 2.162 -6.292 8.791 1.00 0.00 C ATOM 795 CG ASN A 97 2.691 -5.091 8.006 1.00 0.00 C ATOM 796 OD1 ASN A 97 2.252 -3.894 8.366 1.00 0.00 O flip ATOM 797 ND2 ASN A 97 3.506 -5.237 7.090 1.00 0.00 N flip ATOM 0 H ASN A 97 1.730 -7.114 6.401 1.00 0.00 H new ATOM 0 HA ASN A 97 0.515 -7.676 8.941 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.049 -6.003 9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.908 -7.086 8.758 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.825 -6.172 6.836 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.860 -4.423 6.588 1.00 0.00 H new ATOM 804 N GLY A 98 -1.145 -5.736 7.361 1.00 0.00 N ATOM 805 CA GLY A 98 -2.244 -4.788 7.385 1.00 0.00 C ATOM 806 C GLY A 98 -1.827 -3.392 6.970 1.00 0.00 C ATOM 807 O GLY A 98 -2.502 -2.416 7.293 1.00 0.00 O ATOM 0 H GLY A 98 -1.120 -6.345 6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.034 -5.138 6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.665 -4.752 8.390 1.00 0.00 H new ATOM 811 N TYR A 99 -0.728 -3.301 6.237 1.00 0.00 N ATOM 812 CA TYR A 99 -0.202 -2.018 5.792 1.00 0.00 C ATOM 813 C TYR A 99 0.491 -2.182 4.463 1.00 0.00 C ATOM 814 O TYR A 99 1.115 -3.208 4.205 1.00 0.00 O ATOM 815 CB TYR A 99 0.766 -1.405 6.806 1.00 0.00 C ATOM 816 CG TYR A 99 0.089 -0.842 8.028 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.542 0.393 7.992 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.087 -1.547 9.218 1.00 0.00 C ATOM 819 CE1 TYR A 99 -1.155 0.911 9.113 1.00 0.00 C ATOM 820 CE2 TYR A 99 -0.522 -1.038 10.343 1.00 0.00 C ATOM 821 CZ TYR A 99 -1.172 0.201 10.266 1.00 0.00 C ATOM 822 OH TYR A 99 -1.758 0.696 11.410 1.00 0.00 O ATOM 0 H TYR A 99 -0.179 -4.106 5.936 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.047 -1.337 5.692 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.482 -2.166 7.117 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.334 -0.612 6.319 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.553 0.958 7.071 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.571 -2.512 9.265 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.622 1.884 9.072 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.499 -1.587 11.273 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.670 0.040 12.133 1.00 0.00 H new ATOM 832 N ILE A 100 0.387 -1.172 3.626 1.00 0.00 N ATOM 833 CA ILE A 100 0.983 -1.226 2.312 1.00 0.00 C ATOM 834 C ILE A 100 2.156 -0.268 2.254 1.00 0.00 C ATOM 835 O ILE A 100 1.987 0.940 2.121 1.00 0.00 O ATOM 836 CB ILE A 100 -0.054 -0.878 1.219 1.00 0.00 C ATOM 837 CG1 ILE A 100 -1.207 -1.880 1.270 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.583 -0.878 -0.167 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.360 -1.548 0.349 1.00 0.00 C ATOM 0 H ILE A 100 -0.106 -0.303 3.834 1.00 0.00 H new ATOM 0 HA ILE A 100 1.334 -2.241 2.125 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.434 0.125 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.826 -2.869 1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.579 -1.937 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.171 -0.630 -0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.383 -0.139 -0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.993 -1.866 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.135 -2.309 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.771 -0.575 0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.006 -1.521 -0.682 1.00 0.00 H new ATOM 851 N SER A 101 3.348 -0.808 2.380 1.00 0.00 N ATOM 852 CA SER A 101 4.543 -0.008 2.264 1.00 0.00 C ATOM 853 C SER A 101 5.110 -0.185 0.868 1.00 0.00 C ATOM 854 O SER A 101 4.733 -1.123 0.172 1.00 0.00 O ATOM 855 CB SER A 101 5.574 -0.398 3.328 1.00 0.00 C ATOM 856 OG SER A 101 6.687 0.482 3.310 1.00 0.00 O ATOM 0 H SER A 101 3.514 -1.798 2.563 1.00 0.00 H new ATOM 0 HA SER A 101 4.296 1.041 2.429 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.108 -0.380 4.313 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.912 -1.420 3.154 1.00 0.00 H new ATOM 0 HG SER A 101 6.543 1.205 3.956 1.00 0.00 H new ATOM 862 N ALA A 102 5.990 0.707 0.456 1.00 0.00 N ATOM 863 CA ALA A 102 6.553 0.650 -0.884 1.00 0.00 C ATOM 864 C ALA A 102 7.156 -0.721 -1.166 1.00 0.00 C ATOM 865 O ALA A 102 6.824 -1.361 -2.164 1.00 0.00 O ATOM 866 CB ALA A 102 7.596 1.728 -1.055 1.00 0.00 C ATOM 0 H ALA A 102 6.332 1.480 1.027 1.00 0.00 H new ATOM 0 HA ALA A 102 5.749 0.818 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.011 1.676 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.138 2.705 -0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.393 1.582 -0.326 1.00 0.00 H new ATOM 872 N ALA A 103 8.051 -1.154 -0.286 1.00 0.00 N ATOM 873 CA ALA A 103 8.647 -2.481 -0.376 1.00 0.00 C ATOM 874 C ALA A 103 7.595 -3.573 -0.535 1.00 0.00 C ATOM 875 O ALA A 103 7.701 -4.417 -1.424 1.00 0.00 O ATOM 876 CB ALA A 103 9.508 -2.747 0.848 1.00 0.00 C ATOM 0 H ALA A 103 8.382 -0.600 0.504 1.00 0.00 H new ATOM 0 HA ALA A 103 9.271 -2.504 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.950 -3.741 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.301 -2.001 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.892 -2.691 1.745 1.00 0.00 H new ATOM 882 N GLU A 104 6.583 -3.537 0.314 1.00 0.00 N ATOM 883 CA GLU A 104 5.487 -4.503 0.258 1.00 0.00 C ATOM 884 C GLU A 104 4.819 -4.437 -1.096 1.00 0.00 C ATOM 885 O GLU A 104 4.665 -5.448 -1.784 1.00 0.00 O ATOM 886 CB GLU A 104 4.433 -4.162 1.294 1.00 0.00 C ATOM 887 CG GLU A 104 4.998 -3.777 2.656 1.00 0.00 C ATOM 888 CD GLU A 104 5.603 -4.943 3.414 1.00 0.00 C ATOM 889 OE1 GLU A 104 6.479 -5.635 2.856 1.00 0.00 O ATOM 890 OE2 GLU A 104 5.182 -5.181 4.575 1.00 0.00 O ATOM 0 H GLU A 104 6.493 -2.845 1.058 1.00 0.00 H new ATOM 0 HA GLU A 104 5.900 -5.494 0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.824 -3.339 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.770 -5.018 1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.759 -3.009 2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.204 -3.336 3.258 1.00 0.00 H new ATOM 897 N LEU A 105 4.484 -3.210 -1.478 1.00 0.00 N ATOM 898 CA LEU A 105 3.702 -2.944 -2.662 1.00 0.00 C ATOM 899 C LEU A 105 4.422 -3.510 -3.861 1.00 0.00 C ATOM 900 O LEU A 105 3.855 -4.258 -4.631 1.00 0.00 O ATOM 901 CB LEU A 105 3.498 -1.428 -2.829 1.00 0.00 C ATOM 902 CG LEU A 105 2.159 -0.998 -3.442 1.00 0.00 C ATOM 903 CD1 LEU A 105 2.016 0.514 -3.379 1.00 0.00 C ATOM 904 CD2 LEU A 105 2.031 -1.483 -4.876 1.00 0.00 C ATOM 0 H LEU A 105 4.754 -2.371 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 105 2.723 -3.414 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.596 -0.957 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.303 -1.039 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 105 1.357 -1.454 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.062 0.808 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.054 0.840 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.829 0.980 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.072 -1.163 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.839 -1.063 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.090 -2.571 -4.899 1.00 0.00 H new ATOM 916 N ARG A 106 5.705 -3.211 -3.949 1.00 0.00 N ATOM 917 CA ARG A 106 6.490 -3.590 -5.110 1.00 0.00 C ATOM 918 C ARG A 106 6.812 -5.076 -5.140 1.00 0.00 C ATOM 919 O ARG A 106 6.910 -5.651 -6.213 1.00 0.00 O ATOM 920 CB ARG A 106 7.772 -2.786 -5.193 1.00 0.00 C ATOM 921 CG ARG A 106 7.599 -1.461 -5.908 1.00 0.00 C ATOM 922 CD ARG A 106 8.938 -0.925 -6.371 1.00 0.00 C ATOM 923 NE ARG A 106 8.799 0.286 -7.176 1.00 0.00 N ATOM 924 CZ ARG A 106 9.745 0.749 -7.996 1.00 0.00 C ATOM 925 NH1 ARG A 106 10.901 0.101 -8.123 1.00 0.00 N ATOM 926 NH2 ARG A 106 9.528 1.853 -8.703 1.00 0.00 N ATOM 0 H ARG A 106 6.226 -2.707 -3.231 1.00 0.00 H new ATOM 0 HA ARG A 106 5.871 -3.368 -5.979 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.144 -2.602 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.530 -3.375 -5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.936 -1.588 -6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.124 -0.741 -5.241 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.562 -0.713 -5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.452 -1.690 -6.954 1.00 0.00 H new ATOM 0 HE ARG A 106 7.926 0.809 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.067 -0.754 -7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.620 0.459 -8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.639 2.346 -8.619 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.250 2.207 -9.330 1.00 0.00 H new ATOM 940 N HIS A 107 6.928 -5.710 -3.983 1.00 0.00 N ATOM 941 CA HIS A 107 7.347 -7.110 -3.939 1.00 0.00 C ATOM 942 C HIS A 107 6.175 -8.030 -4.251 1.00 0.00 C ATOM 943 O HIS A 107 6.357 -9.156 -4.696 1.00 0.00 O ATOM 944 CB HIS A 107 7.981 -7.463 -2.590 1.00 0.00 C ATOM 945 CG HIS A 107 9.421 -7.048 -2.494 1.00 0.00 C ATOM 946 ND1 HIS A 107 9.817 -5.761 -2.217 1.00 0.00 N ATOM 947 CD2 HIS A 107 10.560 -7.757 -2.666 1.00 0.00 C ATOM 948 CE1 HIS A 107 11.137 -5.694 -2.226 1.00 0.00 C ATOM 949 NE2 HIS A 107 11.610 -6.894 -2.495 1.00 0.00 N ATOM 0 H HIS A 107 6.742 -5.289 -3.073 1.00 0.00 H new ATOM 0 HA HIS A 107 8.109 -7.256 -4.705 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.416 -6.982 -1.792 1.00 0.00 H new ATOM 0 HB3 HIS A 107 7.907 -8.539 -2.430 1.00 0.00 H new ATOM 0 HD1 HIS A 107 9.189 -4.979 -2.033 1.00 0.00 H new ATOM 0 HD2 HIS A 107 10.629 -8.810 -2.896 1.00 0.00 H new ATOM 0 HE1 HIS A 107 11.727 -4.808 -2.044 1.00 0.00 H new ATOM 958 N VAL A 108 4.972 -7.536 -4.010 1.00 0.00 N ATOM 959 CA VAL A 108 3.781 -8.239 -4.426 1.00 0.00 C ATOM 960 C VAL A 108 3.433 -7.823 -5.850 1.00 0.00 C ATOM 961 O VAL A 108 2.780 -8.551 -6.598 1.00 0.00 O ATOM 962 CB VAL A 108 2.596 -7.980 -3.484 1.00 0.00 C ATOM 963 CG1 VAL A 108 2.920 -8.450 -2.078 1.00 0.00 C ATOM 964 CG2 VAL A 108 2.187 -6.517 -3.485 1.00 0.00 C ATOM 0 H VAL A 108 4.800 -6.653 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 108 3.983 -9.309 -4.388 1.00 0.00 H new ATOM 0 HB VAL A 108 1.747 -8.555 -3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.069 -8.258 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.133 -9.519 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.791 -7.911 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.346 -6.374 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.026 -5.904 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.895 -6.222 -4.493 1.00 0.00 H new ATOM 974 N MET A 109 3.880 -6.619 -6.193 1.00 0.00 N ATOM 975 CA MET A 109 3.570 -5.996 -7.468 1.00 0.00 C ATOM 976 C MET A 109 4.407 -6.587 -8.607 1.00 0.00 C ATOM 977 O MET A 109 3.883 -7.343 -9.423 1.00 0.00 O ATOM 978 CB MET A 109 3.796 -4.484 -7.350 1.00 0.00 C ATOM 979 CG MET A 109 3.126 -3.663 -8.437 1.00 0.00 C ATOM 980 SD MET A 109 3.560 -1.914 -8.346 1.00 0.00 S ATOM 981 CE MET A 109 2.595 -1.255 -9.704 1.00 0.00 C ATOM 0 H MET A 109 4.470 -6.048 -5.588 1.00 0.00 H new ATOM 0 HA MET A 109 2.526 -6.193 -7.711 1.00 0.00 H new ATOM 0 HB2 MET A 109 3.429 -4.149 -6.380 1.00 0.00 H new ATOM 0 HB3 MET A 109 4.868 -4.286 -7.371 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.412 -4.055 -9.413 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.044 -3.771 -8.355 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.757 -0.180 -9.777 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.903 -1.733 -10.634 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.537 -1.451 -9.528 1.00 0.00 H new ATOM 991 N THR A 110 5.700 -6.263 -8.671 1.00 0.00 N ATOM 992 CA THR A 110 6.556 -6.758 -9.746 1.00 0.00 C ATOM 993 C THR A 110 7.848 -7.378 -9.200 1.00 0.00 C ATOM 994 O THR A 110 8.455 -8.246 -9.833 1.00 0.00 O ATOM 995 CB THR A 110 6.910 -5.616 -10.720 1.00 0.00 C ATOM 996 OG1 THR A 110 7.402 -4.485 -9.984 1.00 0.00 O ATOM 997 CG2 THR A 110 5.697 -5.203 -11.541 1.00 0.00 C ATOM 0 H THR A 110 6.173 -5.664 -7.995 1.00 0.00 H new ATOM 0 HA THR A 110 5.999 -7.532 -10.274 1.00 0.00 H new ATOM 0 HB THR A 110 7.681 -5.975 -11.402 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.627 -3.762 -10.607 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.974 -4.396 -12.219 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.341 -6.056 -12.118 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.906 -4.860 -10.874 1.00 0.00 H new ATOM 1005 N ASN A 111 8.264 -6.917 -8.024 1.00 0.00 N ATOM 1006 CA ASN A 111 9.466 -7.419 -7.364 1.00 0.00 C ATOM 1007 C ASN A 111 9.244 -8.834 -6.838 1.00 0.00 C ATOM 1008 O ASN A 111 8.212 -9.450 -7.104 1.00 0.00 O ATOM 1009 CB ASN A 111 9.888 -6.495 -6.214 1.00 0.00 C ATOM 1010 CG ASN A 111 10.482 -5.183 -6.693 1.00 0.00 C ATOM 1011 OD1 ASN A 111 9.760 -4.248 -7.028 1.00 0.00 O ATOM 1012 ND2 ASN A 111 11.804 -5.093 -6.695 1.00 0.00 N ATOM 0 H ASN A 111 7.779 -6.187 -7.502 1.00 0.00 H new ATOM 0 HA ASN A 111 10.266 -7.440 -8.104 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.022 -6.287 -5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 111 10.618 -7.011 -5.590 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.256 -4.225 -6.982 1.00 0.00 H new ATOM 0 HD22 ASN A 111 12.370 -5.892 -6.410 1.00 0.00 H new