USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 767 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0213) USER MOD Single : A 3 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.76) USER MOD Single : A 5 LYS NZ :NH3+ 179:sc=-0.00324 (180deg=-0.00543) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-2.3!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0334) USER MOD Single : A 26 MET CE :methyl -126:sc= -2.23! (180deg=-2.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0326 K(o=-0.033,f=-1) USER MOD Single : A 48 ASN : amide:sc= -0.74 X(o=-0.74,f=-0.34) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 56:sc= 0.0427 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -94:sc= 1.91 USER MOD Single : A 70 ASN :FLIP amide:sc= 0.723 F(o=-0.038,f=0.72) USER MOD Single : A 72 THR OG1 : rot 80:sc= 0.328 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 71:sc= 0.862 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.656 USER MOD Single : A 94 SER OG : rot -170:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 97 HIS : no HD1:sc=-0.00479 K(o=-0.0048,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.419 9.006 4.359 1.00 0.00 N ATOM 2 CA MET A 1 -12.821 9.314 5.689 1.00 0.00 C ATOM 3 C MET A 1 -11.411 9.897 5.555 1.00 0.00 C ATOM 4 O MET A 1 -11.054 10.838 6.266 1.00 0.00 O ATOM 5 CB MET A 1 -12.794 8.032 6.528 1.00 0.00 C ATOM 6 CG MET A 1 -13.947 7.924 7.515 1.00 0.00 C ATOM 7 SD MET A 1 -13.464 8.351 9.199 1.00 0.00 S ATOM 8 CE MET A 1 -14.673 9.612 9.591 1.00 0.00 C ATOM 0 H1 MET A 1 -14.397 8.677 4.486 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.415 9.863 3.770 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.862 8.262 3.892 1.00 0.00 H new ATOM 0 HA MET A 1 -13.433 10.069 6.182 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.817 7.171 5.860 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.853 7.986 7.076 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.756 8.581 7.196 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.338 6.907 7.500 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.504 9.976 10.604 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.577 10.439 8.888 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.675 9.190 9.520 1.00 0.00 H new ATOM 20 N VAL A 2 -10.617 9.334 4.642 1.00 0.00 N ATOM 21 CA VAL A 2 -9.244 9.798 4.413 1.00 0.00 C ATOM 22 C VAL A 2 -8.845 9.672 2.942 1.00 0.00 C ATOM 23 O VAL A 2 -9.575 9.088 2.142 1.00 0.00 O ATOM 24 CB VAL A 2 -8.229 9.000 5.259 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.387 9.316 6.738 1.00 0.00 C ATOM 26 CG2 VAL A 2 -8.378 7.505 5.002 1.00 0.00 C ATOM 0 H VAL A 2 -10.900 8.555 4.048 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.224 10.847 4.708 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.225 9.299 4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.661 8.741 7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.219 10.380 6.903 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.394 9.053 7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.655 6.958 5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.387 7.189 5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.200 7.298 3.947 1.00 0.00 H new ATOM 36 N ASN A 3 -7.668 10.206 2.601 1.00 0.00 N ATOM 37 CA ASN A 3 -7.153 10.136 1.232 1.00 0.00 C ATOM 38 C ASN A 3 -5.640 9.912 1.230 1.00 0.00 C ATOM 39 O ASN A 3 -4.873 10.769 1.672 1.00 0.00 O ATOM 40 CB ASN A 3 -7.499 11.404 0.438 1.00 0.00 C ATOM 41 CG ASN A 3 -7.157 12.687 1.175 1.00 0.00 C ATOM 42 OD1 ASN A 3 -6.022 13.160 1.128 1.00 0.00 O ATOM 43 ND2 ASN A 3 -8.144 13.264 1.857 1.00 0.00 N ATOM 0 H ASN A 3 -7.054 10.692 3.255 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.634 9.287 0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -6.965 11.386 -0.512 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.564 11.400 0.206 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -7.973 14.131 2.366 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.071 12.839 1.870 1.00 0.00 H new ATOM 50 N VAL A 4 -5.222 8.749 0.732 1.00 0.00 N ATOM 51 CA VAL A 4 -3.804 8.399 0.668 1.00 0.00 C ATOM 52 C VAL A 4 -3.350 8.202 -0.779 1.00 0.00 C ATOM 53 O VAL A 4 -4.013 7.513 -1.558 1.00 0.00 O ATOM 54 CB VAL A 4 -3.498 7.116 1.470 1.00 0.00 C ATOM 55 CG1 VAL A 4 -3.614 7.370 2.967 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.420 5.981 1.042 1.00 0.00 C ATOM 0 H VAL A 4 -5.848 8.031 0.366 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.256 9.231 1.110 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.471 6.820 1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.394 6.451 3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.905 8.144 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.627 7.697 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.188 5.086 1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.457 6.268 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.276 5.776 -0.019 1.00 0.00 H new ATOM 66 N LYS A 5 -2.218 8.808 -1.130 1.00 0.00 N ATOM 67 CA LYS A 5 -1.671 8.698 -2.481 1.00 0.00 C ATOM 68 C LYS A 5 -0.448 7.784 -2.496 1.00 0.00 C ATOM 69 O LYS A 5 0.632 8.173 -2.049 1.00 0.00 O ATOM 70 CB LYS A 5 -1.297 10.083 -3.018 1.00 0.00 C ATOM 71 CG LYS A 5 -1.536 10.244 -4.514 1.00 0.00 C ATOM 72 CD LYS A 5 -1.209 11.654 -4.988 1.00 0.00 C ATOM 73 CE LYS A 5 0.292 11.907 -5.011 1.00 0.00 C ATOM 74 NZ LYS A 5 0.617 13.339 -4.761 1.00 0.00 N ATOM 0 H LYS A 5 -1.661 9.381 -0.497 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.436 8.264 -3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.873 10.838 -2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.245 10.274 -2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.924 9.526 -5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.577 10.015 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.619 11.806 -5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.690 12.379 -4.332 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.776 11.288 -4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.696 11.606 -5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.649 13.467 -4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.190 13.927 -5.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.239 13.624 -3.835 1.00 0.00 H new ATOM 88 N VAL A 6 -0.627 6.570 -3.013 1.00 0.00 N ATOM 89 CA VAL A 6 0.464 5.598 -3.088 1.00 0.00 C ATOM 90 C VAL A 6 0.983 5.454 -4.515 1.00 0.00 C ATOM 91 O VAL A 6 0.213 5.515 -5.474 1.00 0.00 O ATOM 92 CB VAL A 6 0.035 4.207 -2.577 1.00 0.00 C ATOM 93 CG1 VAL A 6 -0.166 4.223 -1.070 1.00 0.00 C ATOM 94 CG2 VAL A 6 -1.224 3.736 -3.290 1.00 0.00 C ATOM 0 H VAL A 6 -1.515 6.235 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 6 1.257 5.983 -2.446 1.00 0.00 H new ATOM 0 HB VAL A 6 0.834 3.500 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.468 3.232 -0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.767 4.504 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.941 4.945 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.509 2.753 -2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.033 4.443 -3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.034 3.674 -4.361 1.00 0.00 H new ATOM 104 N GLU A 7 2.292 5.250 -4.648 1.00 0.00 N ATOM 105 CA GLU A 7 2.914 5.085 -5.959 1.00 0.00 C ATOM 106 C GLU A 7 3.323 3.632 -6.189 1.00 0.00 C ATOM 107 O GLU A 7 3.890 2.994 -5.304 1.00 0.00 O ATOM 108 CB GLU A 7 4.135 5.999 -6.093 1.00 0.00 C ATOM 109 CG GLU A 7 3.820 7.349 -6.723 1.00 0.00 C ATOM 110 CD GLU A 7 4.525 8.507 -6.036 1.00 0.00 C ATOM 111 OE1 GLU A 7 5.613 8.290 -5.457 1.00 0.00 O ATOM 112 OE2 GLU A 7 3.989 9.634 -6.080 1.00 0.00 O ATOM 0 H GLU A 7 2.942 5.195 -3.864 1.00 0.00 H new ATOM 0 HA GLU A 7 2.180 5.362 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.568 6.160 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.892 5.495 -6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.108 7.329 -7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.743 7.516 -6.690 1.00 0.00 H new ATOM 119 N PHE A 8 3.034 3.119 -7.382 1.00 0.00 N ATOM 120 CA PHE A 8 3.374 1.742 -7.731 1.00 0.00 C ATOM 121 C PHE A 8 4.328 1.706 -8.919 1.00 0.00 C ATOM 122 O PHE A 8 3.976 2.123 -10.026 1.00 0.00 O ATOM 123 CB PHE A 8 2.108 0.941 -8.041 1.00 0.00 C ATOM 124 CG PHE A 8 1.240 0.707 -6.837 1.00 0.00 C ATOM 125 CD1 PHE A 8 1.693 -0.069 -5.782 1.00 0.00 C ATOM 126 CD2 PHE A 8 -0.028 1.262 -6.760 1.00 0.00 C ATOM 127 CE1 PHE A 8 0.899 -0.287 -4.673 1.00 0.00 C ATOM 128 CE2 PHE A 8 -0.826 1.047 -5.653 1.00 0.00 C ATOM 129 CZ PHE A 8 -0.363 0.272 -4.608 1.00 0.00 C ATOM 0 H PHE A 8 2.564 3.637 -8.125 1.00 0.00 H new ATOM 0 HA PHE A 8 3.874 1.287 -6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.530 1.469 -8.799 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.391 -0.021 -8.468 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.678 -0.508 -5.827 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.396 1.869 -7.574 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.264 -0.894 -3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.812 1.485 -5.605 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.986 0.103 -3.742 1.00 0.00 H new ATOM 139 N LEU A 9 5.542 1.216 -8.678 1.00 0.00 N ATOM 140 CA LEU A 9 6.561 1.131 -9.720 1.00 0.00 C ATOM 141 C LEU A 9 7.047 -0.305 -9.897 1.00 0.00 C ATOM 142 O LEU A 9 7.357 -0.988 -8.918 1.00 0.00 O ATOM 143 CB LEU A 9 7.744 2.044 -9.379 1.00 0.00 C ATOM 144 CG LEU A 9 7.571 3.518 -9.760 1.00 0.00 C ATOM 145 CD1 LEU A 9 7.478 3.674 -11.272 1.00 0.00 C ATOM 146 CD2 LEU A 9 6.341 4.109 -9.082 1.00 0.00 C ATOM 0 H LEU A 9 5.844 0.871 -7.767 1.00 0.00 H new ATOM 0 HA LEU A 9 6.113 1.459 -10.658 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.930 1.983 -8.307 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.633 1.660 -9.879 1.00 0.00 H new ATOM 0 HG LEU A 9 8.447 4.065 -9.413 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.355 4.728 -11.522 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.390 3.295 -11.734 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.622 3.111 -11.644 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.237 5.156 -9.366 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.454 3.558 -9.394 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.451 4.036 -8.000 1.00 0.00 H new ATOM 158 N GLY A 10 7.112 -0.754 -11.149 1.00 0.00 N ATOM 159 CA GLY A 10 7.560 -2.105 -11.436 1.00 0.00 C ATOM 160 C GLY A 10 6.483 -2.942 -12.101 1.00 0.00 C ATOM 161 O GLY A 10 6.143 -2.717 -13.264 1.00 0.00 O ATOM 0 H GLY A 10 6.862 -0.204 -11.971 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.436 -2.065 -12.083 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.870 -2.587 -10.509 1.00 0.00 H new ATOM 165 N GLY A 11 5.948 -3.910 -11.358 1.00 0.00 N ATOM 166 CA GLY A 11 4.908 -4.780 -11.888 1.00 0.00 C ATOM 167 C GLY A 11 3.543 -4.536 -11.260 1.00 0.00 C ATOM 168 O GLY A 11 2.517 -4.851 -11.865 1.00 0.00 O ATOM 0 H GLY A 11 6.217 -4.108 -10.394 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.836 -4.634 -12.966 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.195 -5.819 -11.725 1.00 0.00 H new ATOM 172 N LEU A 12 3.525 -3.981 -10.045 1.00 0.00 N ATOM 173 CA LEU A 12 2.271 -3.705 -9.340 1.00 0.00 C ATOM 174 C LEU A 12 1.337 -2.835 -10.180 1.00 0.00 C ATOM 175 O LEU A 12 0.154 -3.147 -10.326 1.00 0.00 O ATOM 176 CB LEU A 12 2.550 -3.022 -8.000 1.00 0.00 C ATOM 177 CG LEU A 12 2.676 -3.972 -6.806 1.00 0.00 C ATOM 178 CD1 LEU A 12 4.134 -4.124 -6.395 1.00 0.00 C ATOM 179 CD2 LEU A 12 1.833 -3.474 -5.640 1.00 0.00 C ATOM 0 H LEU A 12 4.364 -3.714 -9.530 1.00 0.00 H new ATOM 0 HA LEU A 12 1.778 -4.660 -9.161 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.472 -2.447 -8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.749 -2.311 -7.797 1.00 0.00 H new ATOM 0 HG LEU A 12 2.304 -4.953 -7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.204 -4.803 -5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.707 -4.528 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.537 -3.150 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.933 -4.160 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.174 -2.483 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.787 -3.422 -5.943 1.00 0.00 H new ATOM 191 N ASP A 13 1.876 -1.747 -10.734 1.00 0.00 N ATOM 192 CA ASP A 13 1.088 -0.834 -11.565 1.00 0.00 C ATOM 193 C ASP A 13 0.469 -1.567 -12.754 1.00 0.00 C ATOM 194 O ASP A 13 -0.653 -1.262 -13.163 1.00 0.00 O ATOM 195 CB ASP A 13 1.953 0.329 -12.070 1.00 0.00 C ATOM 196 CG ASP A 13 3.255 -0.132 -12.700 1.00 0.00 C ATOM 197 OD1 ASP A 13 4.240 -0.320 -11.955 1.00 0.00 O ATOM 198 OD2 ASP A 13 3.287 -0.311 -13.936 1.00 0.00 O ATOM 0 H ASP A 13 2.853 -1.477 -10.623 1.00 0.00 H new ATOM 0 HA ASP A 13 0.286 -0.436 -10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.386 0.906 -12.801 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.175 0.998 -11.238 1.00 0.00 H new ATOM 203 N ALA A 14 1.206 -2.535 -13.303 1.00 0.00 N ATOM 204 CA ALA A 14 0.730 -3.314 -14.443 1.00 0.00 C ATOM 205 C ALA A 14 -0.486 -4.155 -14.067 1.00 0.00 C ATOM 206 O ALA A 14 -1.395 -4.342 -14.877 1.00 0.00 O ATOM 207 CB ALA A 14 1.842 -4.207 -14.981 1.00 0.00 C ATOM 0 H ALA A 14 2.136 -2.797 -12.974 1.00 0.00 H new ATOM 0 HA ALA A 14 0.431 -2.615 -15.224 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.470 -4.780 -15.830 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.682 -3.590 -15.300 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.171 -4.890 -14.198 1.00 0.00 H new ATOM 213 N ILE A 15 -0.494 -4.660 -12.834 1.00 0.00 N ATOM 214 CA ILE A 15 -1.596 -5.481 -12.347 1.00 0.00 C ATOM 215 C ILE A 15 -2.825 -4.629 -12.023 1.00 0.00 C ATOM 216 O ILE A 15 -3.957 -5.037 -12.286 1.00 0.00 O ATOM 217 CB ILE A 15 -1.197 -6.282 -11.089 1.00 0.00 C ATOM 218 CG1 ILE A 15 0.115 -7.042 -11.319 1.00 0.00 C ATOM 219 CG2 ILE A 15 -2.308 -7.247 -10.702 1.00 0.00 C ATOM 220 CD1 ILE A 15 0.962 -7.182 -10.071 1.00 0.00 C ATOM 0 H ILE A 15 0.253 -4.513 -12.155 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.841 -6.177 -13.149 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.044 -5.578 -10.271 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.113 -8.035 -11.706 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.694 -6.526 -12.085 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.012 -7.805 -9.813 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.220 -6.687 -10.492 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.489 -7.941 -11.523 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.874 -7.730 -10.310 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.221 -6.193 -9.694 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.401 -7.724 -9.310 1.00 0.00 H new ATOM 232 N PHE A 16 -2.600 -3.448 -11.444 1.00 0.00 N ATOM 233 CA PHE A 16 -3.696 -2.551 -11.080 1.00 0.00 C ATOM 234 C PHE A 16 -4.404 -2.005 -12.322 1.00 0.00 C ATOM 235 O PHE A 16 -5.512 -2.433 -12.650 1.00 0.00 O ATOM 236 CB PHE A 16 -3.179 -1.391 -10.223 1.00 0.00 C ATOM 237 CG PHE A 16 -3.003 -1.738 -8.771 1.00 0.00 C ATOM 238 CD1 PHE A 16 -4.066 -2.224 -8.025 1.00 0.00 C ATOM 239 CD2 PHE A 16 -1.774 -1.576 -8.152 1.00 0.00 C ATOM 240 CE1 PHE A 16 -3.905 -2.539 -6.689 1.00 0.00 C ATOM 241 CE2 PHE A 16 -1.608 -1.891 -6.817 1.00 0.00 C ATOM 242 CZ PHE A 16 -2.674 -2.373 -6.085 1.00 0.00 C ATOM 0 H PHE A 16 -1.671 -3.092 -11.218 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.417 -3.129 -10.501 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.223 -1.053 -10.624 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.873 -0.554 -10.305 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.030 -2.358 -8.493 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.936 -1.199 -8.720 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.741 -2.915 -6.118 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.645 -1.760 -6.347 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.546 -2.620 -5.041 1.00 0.00 H new ATOM 252 N GLY A 17 -3.760 -1.057 -13.003 1.00 0.00 N ATOM 253 CA GLY A 17 -4.345 -0.466 -14.196 1.00 0.00 C ATOM 254 C GLY A 17 -3.388 0.470 -14.913 1.00 0.00 C ATOM 255 O GLY A 17 -3.787 1.542 -15.371 1.00 0.00 O ATOM 0 H GLY A 17 -2.844 -0.688 -12.749 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.650 -1.260 -14.878 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.246 0.082 -13.921 1.00 0.00 H new ATOM 259 N LYS A 18 -2.122 0.060 -15.008 1.00 0.00 N ATOM 260 CA LYS A 18 -1.090 0.860 -15.669 1.00 0.00 C ATOM 261 C LYS A 18 -1.020 2.272 -15.076 1.00 0.00 C ATOM 262 O LYS A 18 -0.746 3.240 -15.787 1.00 0.00 O ATOM 263 CB LYS A 18 -1.353 0.934 -17.179 1.00 0.00 C ATOM 264 CG LYS A 18 -1.621 -0.418 -17.827 1.00 0.00 C ATOM 265 CD LYS A 18 -2.991 -0.457 -18.487 1.00 0.00 C ATOM 266 CE LYS A 18 -4.005 -1.207 -17.634 1.00 0.00 C ATOM 267 NZ LYS A 18 -4.362 -2.532 -18.216 1.00 0.00 N ATOM 0 H LYS A 18 -1.786 -0.827 -14.633 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.130 0.372 -15.501 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.208 1.587 -17.357 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.493 1.395 -17.665 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.852 -0.625 -18.571 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.556 -1.203 -17.074 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.342 0.561 -18.659 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.911 -0.936 -19.463 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.599 -1.350 -16.632 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.907 -0.603 -17.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.054 -3.006 -17.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.774 -2.396 -19.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.507 -3.120 -18.292 1.00 0.00 H new ATOM 281 N GLN A 19 -1.267 2.381 -13.767 1.00 0.00 N ATOM 282 CA GLN A 19 -1.229 3.670 -13.082 1.00 0.00 C ATOM 283 C GLN A 19 -0.027 3.748 -12.144 1.00 0.00 C ATOM 284 O GLN A 19 0.075 2.973 -11.191 1.00 0.00 O ATOM 285 CB GLN A 19 -2.525 3.896 -12.292 1.00 0.00 C ATOM 286 CG GLN A 19 -3.575 4.693 -13.051 1.00 0.00 C ATOM 287 CD GLN A 19 -3.647 6.143 -12.605 1.00 0.00 C ATOM 288 OE1 GLN A 19 -4.445 6.497 -11.737 1.00 0.00 O ATOM 289 NE2 GLN A 19 -2.813 6.990 -13.197 1.00 0.00 N ATOM 0 H GLN A 19 -1.495 1.591 -13.164 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.134 4.452 -13.836 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.945 2.929 -12.017 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.288 4.416 -11.364 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.352 4.656 -14.117 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.550 4.226 -12.912 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.167 6.654 -13.912 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.818 7.976 -12.937 1.00 0.00 H new ATOM 298 N ARG A 20 0.879 4.690 -12.418 1.00 0.00 N ATOM 299 CA ARG A 20 2.076 4.873 -11.595 1.00 0.00 C ATOM 300 C ARG A 20 1.709 5.228 -10.152 1.00 0.00 C ATOM 301 O ARG A 20 2.453 4.913 -9.224 1.00 0.00 O ATOM 302 CB ARG A 20 2.971 5.965 -12.189 1.00 0.00 C ATOM 303 CG ARG A 20 4.458 5.702 -12.001 1.00 0.00 C ATOM 304 CD ARG A 20 5.174 6.911 -11.416 1.00 0.00 C ATOM 305 NE ARG A 20 6.274 7.369 -12.266 1.00 0.00 N ATOM 306 CZ ARG A 20 6.845 8.574 -12.163 1.00 0.00 C ATOM 307 NH1 ARG A 20 6.431 9.444 -11.245 1.00 0.00 N ATOM 308 NH2 ARG A 20 7.834 8.911 -12.982 1.00 0.00 N ATOM 0 H ARG A 20 0.806 5.337 -13.203 1.00 0.00 H new ATOM 0 HA ARG A 20 2.621 3.929 -11.587 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.759 6.058 -13.254 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.718 6.920 -11.729 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.595 4.844 -11.343 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.906 5.443 -12.960 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.460 7.723 -11.280 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.561 6.659 -10.429 1.00 0.00 H new ATOM 0 HE ARG A 20 6.626 6.731 -12.980 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.671 9.194 -10.612 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.873 10.360 -11.175 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.158 8.251 -13.689 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.270 9.830 -12.904 1.00 0.00 H new ATOM 322 N VAL A 21 0.560 5.883 -9.969 1.00 0.00 N ATOM 323 CA VAL A 21 0.099 6.274 -8.640 1.00 0.00 C ATOM 324 C VAL A 21 -1.385 5.948 -8.458 1.00 0.00 C ATOM 325 O VAL A 21 -2.179 6.089 -9.390 1.00 0.00 O ATOM 326 CB VAL A 21 0.338 7.779 -8.381 1.00 0.00 C ATOM 327 CG1 VAL A 21 -0.437 8.632 -9.375 1.00 0.00 C ATOM 328 CG2 VAL A 21 -0.026 8.148 -6.949 1.00 0.00 C ATOM 0 H VAL A 21 -0.067 6.153 -10.727 1.00 0.00 H new ATOM 0 HA VAL A 21 0.679 5.702 -7.916 1.00 0.00 H new ATOM 0 HB VAL A 21 1.400 7.980 -8.522 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.252 9.687 -9.171 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.112 8.396 -10.388 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.503 8.425 -9.278 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.151 9.212 -6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.078 7.925 -6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.588 7.572 -6.257 1.00 0.00 H new ATOM 338 N HIS A 22 -1.747 5.509 -7.253 1.00 0.00 N ATOM 339 CA HIS A 22 -3.131 5.157 -6.942 1.00 0.00 C ATOM 340 C HIS A 22 -3.656 5.968 -5.757 1.00 0.00 C ATOM 341 O HIS A 22 -2.896 6.663 -5.081 1.00 0.00 O ATOM 342 CB HIS A 22 -3.238 3.660 -6.640 1.00 0.00 C ATOM 343 CG HIS A 22 -3.671 2.842 -7.817 1.00 0.00 C ATOM 344 ND1 HIS A 22 -4.896 2.213 -7.887 1.00 0.00 N ATOM 345 CD2 HIS A 22 -3.035 2.550 -8.977 1.00 0.00 C ATOM 346 CE1 HIS A 22 -4.995 1.571 -9.037 1.00 0.00 C ATOM 347 NE2 HIS A 22 -3.878 1.760 -9.717 1.00 0.00 N ATOM 0 H HIS A 22 -1.099 5.389 -6.475 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.743 5.394 -7.813 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.271 3.298 -6.292 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.946 3.512 -5.825 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -5.614 2.239 -7.163 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.047 2.878 -9.266 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.844 0.990 -9.366 1.00 0.00 H new ATOM 356 N LYS A 23 -4.965 5.874 -5.513 1.00 0.00 N ATOM 357 CA LYS A 23 -5.598 6.598 -4.413 1.00 0.00 C ATOM 358 C LYS A 23 -6.563 5.698 -3.643 1.00 0.00 C ATOM 359 O LYS A 23 -7.511 5.157 -4.215 1.00 0.00 O ATOM 360 CB LYS A 23 -6.344 7.825 -4.945 1.00 0.00 C ATOM 361 CG LYS A 23 -6.216 9.050 -4.051 1.00 0.00 C ATOM 362 CD LYS A 23 -7.135 10.173 -4.506 1.00 0.00 C ATOM 363 CE LYS A 23 -6.569 10.908 -5.712 1.00 0.00 C ATOM 364 NZ LYS A 23 -7.186 12.253 -5.888 1.00 0.00 N ATOM 0 H LYS A 23 -5.606 5.303 -6.064 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.813 6.923 -3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.965 8.068 -5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.399 7.577 -5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.455 8.778 -3.023 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.183 9.399 -4.057 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.114 9.764 -4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.283 10.877 -3.687 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.491 11.016 -5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.735 10.313 -6.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.772 12.719 -6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.212 12.149 -6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.006 12.831 -5.042 1.00 0.00 H new ATOM 378 N ILE A 24 -6.317 5.548 -2.342 1.00 0.00 N ATOM 379 CA ILE A 24 -7.165 4.717 -1.490 1.00 0.00 C ATOM 380 C ILE A 24 -7.859 5.557 -0.420 1.00 0.00 C ATOM 381 O ILE A 24 -7.283 6.511 0.105 1.00 0.00 O ATOM 382 CB ILE A 24 -6.355 3.595 -0.802 1.00 0.00 C ATOM 383 CG1 ILE A 24 -5.511 2.831 -1.827 1.00 0.00 C ATOM 384 CG2 ILE A 24 -7.284 2.640 -0.062 1.00 0.00 C ATOM 385 CD1 ILE A 24 -4.152 3.450 -2.071 1.00 0.00 C ATOM 0 H ILE A 24 -5.538 5.991 -1.856 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.915 4.264 -2.139 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.683 4.055 -0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.378 1.805 -1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.055 2.784 -2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.695 1.857 0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.841 3.189 0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.981 2.190 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.609 2.857 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.277 4.467 -2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.590 3.473 -1.138 1.00 0.00 H new ATOM 397 N LYS A 25 -9.101 5.192 -0.102 1.00 0.00 N ATOM 398 CA LYS A 25 -9.880 5.905 0.906 1.00 0.00 C ATOM 399 C LYS A 25 -10.578 4.920 1.846 1.00 0.00 C ATOM 400 O LYS A 25 -11.693 4.471 1.575 1.00 0.00 O ATOM 401 CB LYS A 25 -10.910 6.818 0.232 1.00 0.00 C ATOM 402 CG LYS A 25 -10.292 8.005 -0.494 1.00 0.00 C ATOM 403 CD LYS A 25 -10.152 7.741 -1.986 1.00 0.00 C ATOM 404 CE LYS A 25 -9.881 9.025 -2.760 1.00 0.00 C ATOM 405 NZ LYS A 25 -11.103 9.871 -2.892 1.00 0.00 N ATOM 0 H LYS A 25 -9.589 4.405 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.200 6.519 1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.492 6.232 -0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.605 7.186 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.910 8.889 -0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.312 8.221 -0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.340 7.035 -2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.063 7.275 -2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.100 9.594 -2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.504 8.777 -3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.909 10.663 -3.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.883 9.298 -3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.371 10.242 -1.958 1.00 0.00 H new ATOM 419 N MET A 26 -9.909 4.586 2.951 1.00 0.00 N ATOM 420 CA MET A 26 -10.458 3.651 3.934 1.00 0.00 C ATOM 421 C MET A 26 -11.599 4.292 4.724 1.00 0.00 C ATOM 422 O MET A 26 -11.681 5.518 4.826 1.00 0.00 O ATOM 423 CB MET A 26 -9.359 3.178 4.890 1.00 0.00 C ATOM 424 CG MET A 26 -9.112 1.678 4.842 1.00 0.00 C ATOM 425 SD MET A 26 -9.320 0.889 6.449 1.00 0.00 S ATOM 426 CE MET A 26 -9.260 -0.840 5.989 1.00 0.00 C ATOM 0 H MET A 26 -8.986 4.949 3.187 1.00 0.00 H new ATOM 0 HA MET A 26 -10.856 2.791 3.395 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.432 3.698 4.649 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.628 3.461 5.908 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.798 1.223 4.127 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.102 1.491 4.478 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.147 -1.348 6.367 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.227 -0.927 4.903 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.369 -1.300 6.417 1.00 0.00 H new ATOM 436 N ASP A 27 -12.478 3.456 5.282 1.00 0.00 N ATOM 437 CA ASP A 27 -13.612 3.946 6.059 1.00 0.00 C ATOM 438 C ASP A 27 -13.922 3.029 7.240 1.00 0.00 C ATOM 439 O ASP A 27 -14.333 1.880 7.062 1.00 0.00 O ATOM 440 CB ASP A 27 -14.846 4.090 5.164 1.00 0.00 C ATOM 441 CG ASP A 27 -14.888 5.433 4.460 1.00 0.00 C ATOM 442 OD1 ASP A 27 -15.341 6.416 5.084 1.00 0.00 O ATOM 443 OD2 ASP A 27 -14.462 5.504 3.288 1.00 0.00 O ATOM 0 H ASP A 27 -12.424 2.440 5.209 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.343 4.924 6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.850 3.292 4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.746 3.969 5.767 1.00 0.00 H new ATOM 448 N LYS A 28 -13.723 3.555 8.448 1.00 0.00 N ATOM 449 CA LYS A 28 -13.980 2.806 9.679 1.00 0.00 C ATOM 450 C LYS A 28 -13.864 3.713 10.905 1.00 0.00 C ATOM 451 O LYS A 28 -14.740 3.715 11.772 1.00 0.00 O ATOM 452 CB LYS A 28 -13.011 1.625 9.805 1.00 0.00 C ATOM 453 CG LYS A 28 -13.501 0.526 10.738 1.00 0.00 C ATOM 454 CD LYS A 28 -14.138 -0.624 9.971 1.00 0.00 C ATOM 455 CE LYS A 28 -15.657 -0.574 10.044 1.00 0.00 C ATOM 456 NZ LYS A 28 -16.284 -1.836 9.553 1.00 0.00 N ATOM 0 H LYS A 28 -13.382 4.504 8.601 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.998 2.421 9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.840 1.200 8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.050 1.992 10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.665 0.150 11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.225 0.941 11.439 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.822 -0.586 8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.785 -1.572 10.377 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.964 -0.394 11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.021 0.265 9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.319 -1.759 9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.013 -1.996 8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.958 -2.635 10.134 1.00 0.00 H new ATOM 470 N GLU A 29 -12.778 4.482 10.965 1.00 0.00 N ATOM 471 CA GLU A 29 -12.534 5.400 12.077 1.00 0.00 C ATOM 472 C GLU A 29 -11.603 6.535 11.653 1.00 0.00 C ATOM 473 O GLU A 29 -11.190 6.608 10.494 1.00 0.00 O ATOM 474 CB GLU A 29 -11.920 4.645 13.257 1.00 0.00 C ATOM 475 CG GLU A 29 -12.943 4.132 14.257 1.00 0.00 C ATOM 476 CD GLU A 29 -12.329 3.811 15.606 1.00 0.00 C ATOM 477 OE1 GLU A 29 -11.755 4.728 16.234 1.00 0.00 O ATOM 478 OE2 GLU A 29 -12.420 2.641 16.036 1.00 0.00 O ATOM 0 H GLU A 29 -12.049 4.487 10.252 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.490 5.829 12.379 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.344 3.802 12.876 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.220 5.303 13.772 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.726 4.880 14.387 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.420 3.237 13.857 1.00 0.00 H new ATOM 485 N ASP A 30 -11.267 7.414 12.598 1.00 0.00 N ATOM 486 CA ASP A 30 -10.372 8.533 12.314 1.00 0.00 C ATOM 487 C ASP A 30 -8.906 8.098 12.399 1.00 0.00 C ATOM 488 O ASP A 30 -8.172 8.197 11.414 1.00 0.00 O ATOM 489 CB ASP A 30 -10.635 9.702 13.271 1.00 0.00 C ATOM 490 CG ASP A 30 -11.568 10.745 12.681 1.00 0.00 C ATOM 491 OD1 ASP A 30 -11.421 11.068 11.482 1.00 0.00 O ATOM 492 OD2 ASP A 30 -12.443 11.241 13.419 1.00 0.00 O ATOM 0 H ASP A 30 -11.600 7.372 13.561 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.573 8.868 11.297 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.064 9.319 14.197 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.687 10.174 13.531 1.00 0.00 H new ATOM 497 N PRO A 31 -8.455 7.603 13.574 1.00 0.00 N ATOM 498 CA PRO A 31 -7.071 7.155 13.762 1.00 0.00 C ATOM 499 C PRO A 31 -6.819 5.771 13.160 1.00 0.00 C ATOM 500 O PRO A 31 -6.410 4.840 13.858 1.00 0.00 O ATOM 501 CB PRO A 31 -6.928 7.123 15.282 1.00 0.00 C ATOM 502 CG PRO A 31 -8.297 6.804 15.777 1.00 0.00 C ATOM 503 CD PRO A 31 -9.256 7.442 14.808 1.00 0.00 C ATOM 0 HA PRO A 31 -6.352 7.806 13.265 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.206 6.370 15.597 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.579 8.081 15.668 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.452 5.726 15.825 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.446 7.192 16.784 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.130 6.814 14.638 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.619 8.401 15.177 1.00 0.00 H new ATOM 511 N VAL A 32 -7.061 5.643 11.856 1.00 0.00 N ATOM 512 CA VAL A 32 -6.859 4.379 11.155 1.00 0.00 C ATOM 513 C VAL A 32 -5.373 4.119 10.932 1.00 0.00 C ATOM 514 O VAL A 32 -4.685 4.920 10.298 1.00 0.00 O ATOM 515 CB VAL A 32 -7.585 4.363 9.792 1.00 0.00 C ATOM 516 CG1 VAL A 32 -7.487 2.989 9.146 1.00 0.00 C ATOM 517 CG2 VAL A 32 -9.040 4.776 9.953 1.00 0.00 C ATOM 0 H VAL A 32 -7.398 6.402 11.264 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.278 3.594 11.784 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.095 5.084 9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.005 3.000 8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.439 2.735 8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.947 2.247 9.798 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.533 4.758 8.981 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.542 4.083 10.628 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.089 5.784 10.366 1.00 0.00 H new ATOM 527 N THR A 33 -4.881 2.999 11.459 1.00 0.00 N ATOM 528 CA THR A 33 -3.470 2.644 11.311 1.00 0.00 C ATOM 529 C THR A 33 -3.146 2.292 9.862 1.00 0.00 C ATOM 530 O THR A 33 -4.018 1.860 9.106 1.00 0.00 O ATOM 531 CB THR A 33 -3.094 1.477 12.233 1.00 0.00 C ATOM 532 OG1 THR A 33 -3.856 0.318 11.933 1.00 0.00 O ATOM 533 CG2 THR A 33 -3.280 1.790 13.704 1.00 0.00 C ATOM 0 H THR A 33 -5.434 2.325 11.989 1.00 0.00 H new ATOM 0 HA THR A 33 -2.880 3.514 11.599 1.00 0.00 H new ATOM 0 HB THR A 33 -2.034 1.301 12.048 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.594 -0.410 12.534 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.996 0.922 14.299 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.653 2.639 13.978 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.325 2.035 13.895 1.00 0.00 H new ATOM 541 N VAL A 34 -1.885 2.485 9.481 1.00 0.00 N ATOM 542 CA VAL A 34 -1.438 2.193 8.120 1.00 0.00 C ATOM 543 C VAL A 34 -1.698 0.731 7.743 1.00 0.00 C ATOM 544 O VAL A 34 -1.976 0.424 6.581 1.00 0.00 O ATOM 545 CB VAL A 34 0.055 2.522 7.943 1.00 0.00 C ATOM 546 CG1 VAL A 34 0.923 1.568 8.748 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.443 2.509 6.471 1.00 0.00 C ATOM 0 H VAL A 34 -1.154 2.843 10.096 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.019 2.828 7.451 1.00 0.00 H new ATOM 0 HB VAL A 34 0.226 3.528 8.325 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.973 1.823 8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.670 1.650 9.805 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.749 0.546 8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.503 2.744 6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.250 1.521 6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.146 3.252 5.933 1.00 0.00 H new ATOM 557 N GLY A 35 -1.630 -0.164 8.735 1.00 0.00 N ATOM 558 CA GLY A 35 -1.888 -1.572 8.483 1.00 0.00 C ATOM 559 C GLY A 35 -3.263 -1.791 7.877 1.00 0.00 C ATOM 560 O GLY A 35 -3.473 -2.748 7.129 1.00 0.00 O ATOM 0 H GLY A 35 -1.402 0.064 9.703 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.127 -1.967 7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.809 -2.129 9.416 1.00 0.00 H new ATOM 564 N ASP A 36 -4.196 -0.885 8.188 1.00 0.00 N ATOM 565 CA ASP A 36 -5.554 -0.964 7.658 1.00 0.00 C ATOM 566 C ASP A 36 -5.563 -0.624 6.171 1.00 0.00 C ATOM 567 O ASP A 36 -6.283 -1.244 5.387 1.00 0.00 O ATOM 568 CB ASP A 36 -6.492 -0.022 8.426 1.00 0.00 C ATOM 569 CG ASP A 36 -7.626 -0.756 9.125 1.00 0.00 C ATOM 570 OD1 ASP A 36 -7.475 -1.964 9.410 1.00 0.00 O ATOM 571 OD2 ASP A 36 -8.666 -0.120 9.394 1.00 0.00 O ATOM 0 H ASP A 36 -4.032 -0.089 8.805 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.913 -1.985 7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.915 0.533 9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.911 0.709 7.734 1.00 0.00 H new ATOM 576 N LEU A 37 -4.738 0.352 5.787 1.00 0.00 N ATOM 577 CA LEU A 37 -4.623 0.765 4.391 1.00 0.00 C ATOM 578 C LEU A 37 -4.254 -0.432 3.520 1.00 0.00 C ATOM 579 O LEU A 37 -4.868 -0.664 2.477 1.00 0.00 O ATOM 580 CB LEU A 37 -3.562 1.864 4.248 1.00 0.00 C ATOM 581 CG LEU A 37 -3.847 2.928 3.182 1.00 0.00 C ATOM 582 CD1 LEU A 37 -4.090 2.287 1.823 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.036 3.789 3.589 1.00 0.00 C ATOM 0 H LEU A 37 -4.138 0.872 6.428 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.584 1.160 4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.449 2.362 5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.606 1.393 4.019 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.969 3.568 3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.290 3.064 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.207 1.721 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.947 1.616 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.223 4.538 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.918 3.160 3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.819 4.286 4.534 1.00 0.00 H new ATOM 595 N ILE A 38 -3.256 -1.199 3.966 1.00 0.00 N ATOM 596 CA ILE A 38 -2.817 -2.385 3.232 1.00 0.00 C ATOM 597 C ILE A 38 -3.956 -3.398 3.124 1.00 0.00 C ATOM 598 O ILE A 38 -4.164 -4.003 2.070 1.00 0.00 O ATOM 599 CB ILE A 38 -1.600 -3.067 3.902 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.482 -2.051 4.159 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.087 -4.212 3.035 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.667 -2.609 4.972 1.00 0.00 C ATOM 0 H ILE A 38 -2.740 -1.020 4.827 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.519 -2.049 2.239 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.922 -3.473 4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.100 -1.694 3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.899 -1.188 4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.231 -4.681 3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.878 -4.950 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.785 -3.825 2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.421 -1.835 5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.299 -2.940 5.943 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.110 -3.454 4.444 1.00 0.00 H new ATOM 614 N ASP A 39 -4.691 -3.572 4.223 1.00 0.00 N ATOM 615 CA ASP A 39 -5.813 -4.506 4.262 1.00 0.00 C ATOM 616 C ASP A 39 -6.876 -4.131 3.234 1.00 0.00 C ATOM 617 O ASP A 39 -7.455 -5.004 2.591 1.00 0.00 O ATOM 618 CB ASP A 39 -6.431 -4.545 5.664 1.00 0.00 C ATOM 619 CG ASP A 39 -6.782 -5.954 6.104 1.00 0.00 C ATOM 620 OD1 ASP A 39 -5.888 -6.826 6.076 1.00 0.00 O ATOM 621 OD2 ASP A 39 -7.951 -6.185 6.480 1.00 0.00 O ATOM 0 H ASP A 39 -4.528 -3.076 5.099 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.431 -5.497 4.015 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.733 -4.108 6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.330 -3.928 5.679 1.00 0.00 H new ATOM 626 N HIS A 40 -7.131 -2.831 3.083 1.00 0.00 N ATOM 627 CA HIS A 40 -8.131 -2.351 2.129 1.00 0.00 C ATOM 628 C HIS A 40 -7.741 -2.707 0.695 1.00 0.00 C ATOM 629 O HIS A 40 -8.571 -3.189 -0.077 1.00 0.00 O ATOM 630 CB HIS A 40 -8.317 -0.837 2.253 1.00 0.00 C ATOM 631 CG HIS A 40 -9.577 -0.335 1.613 1.00 0.00 C ATOM 632 ND1 HIS A 40 -9.771 0.399 0.490 1.00 0.00 N flip ATOM 633 CD2 HIS A 40 -10.832 -0.575 2.131 1.00 0.00 C flip ATOM 634 CE1 HIS A 40 -11.125 0.585 0.354 1.00 0.00 C flip ATOM 635 NE2 HIS A 40 -11.743 -0.013 1.356 1.00 0.00 N flip ATOM 0 H HIS A 40 -6.660 -2.093 3.607 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.073 -2.845 2.366 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.321 -0.565 3.308 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.463 -0.335 1.798 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.039 -1.135 3.031 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.606 1.132 -0.443 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.752 -0.037 1.506 1.00 0.00 H new ATOM 644 N ILE A 41 -6.476 -2.466 0.346 1.00 0.00 N ATOM 645 CA ILE A 41 -5.979 -2.765 -0.997 1.00 0.00 C ATOM 646 C ILE A 41 -6.090 -4.259 -1.307 1.00 0.00 C ATOM 647 O ILE A 41 -6.284 -4.647 -2.457 1.00 0.00 O ATOM 648 CB ILE A 41 -4.511 -2.319 -1.173 1.00 0.00 C ATOM 649 CG1 ILE A 41 -4.358 -0.833 -0.834 1.00 0.00 C ATOM 650 CG2 ILE A 41 -4.038 -2.590 -2.595 1.00 0.00 C ATOM 651 CD1 ILE A 41 -2.935 -0.327 -0.940 1.00 0.00 C ATOM 0 H ILE A 41 -5.779 -2.065 0.974 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.603 -2.205 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.892 -2.896 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.992 -0.250 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.720 -0.662 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.002 -2.270 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.111 -3.657 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.662 -2.038 -3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.906 0.732 -0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.299 -0.883 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.575 -0.465 -1.959 1.00 0.00 H new ATOM 663 N VAL A 42 -5.963 -5.092 -0.276 1.00 0.00 N ATOM 664 CA VAL A 42 -6.048 -6.541 -0.444 1.00 0.00 C ATOM 665 C VAL A 42 -7.448 -7.075 -0.108 1.00 0.00 C ATOM 666 O VAL A 42 -7.712 -8.270 -0.250 1.00 0.00 O ATOM 667 CB VAL A 42 -5.005 -7.260 0.441 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.018 -8.762 0.189 1.00 0.00 C ATOM 669 CG2 VAL A 42 -3.614 -6.689 0.202 1.00 0.00 C ATOM 0 H VAL A 42 -5.801 -4.788 0.684 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.841 -6.748 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.273 -7.090 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.275 -9.244 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.006 -9.161 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.783 -8.957 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.894 -7.208 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.341 -6.823 -0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.610 -5.626 0.445 1.00 0.00 H new ATOM 679 N SER A 43 -8.344 -6.193 0.343 1.00 0.00 N ATOM 680 CA SER A 43 -9.700 -6.598 0.699 1.00 0.00 C ATOM 681 C SER A 43 -10.664 -6.423 -0.476 1.00 0.00 C ATOM 682 O SER A 43 -11.069 -7.403 -1.102 1.00 0.00 O ATOM 683 CB SER A 43 -10.194 -5.806 1.917 1.00 0.00 C ATOM 684 OG SER A 43 -11.566 -6.061 2.174 1.00 0.00 O ATOM 0 H SER A 43 -8.153 -5.199 0.469 1.00 0.00 H new ATOM 0 HA SER A 43 -9.673 -7.657 0.954 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.602 -6.073 2.792 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.046 -4.740 1.745 1.00 0.00 H new ATOM 0 HG SER A 43 -11.854 -5.545 2.956 1.00 0.00 H new ATOM 690 N THR A 44 -11.037 -5.174 -0.764 1.00 0.00 N ATOM 691 CA THR A 44 -11.966 -4.884 -1.859 1.00 0.00 C ATOM 692 C THR A 44 -11.223 -4.494 -3.138 1.00 0.00 C ATOM 693 O THR A 44 -11.611 -4.902 -4.234 1.00 0.00 O ATOM 694 CB THR A 44 -12.955 -3.780 -1.452 1.00 0.00 C ATOM 695 OG1 THR A 44 -13.819 -3.451 -2.527 1.00 0.00 O ATOM 696 CG2 THR A 44 -12.289 -2.499 -0.991 1.00 0.00 C ATOM 0 H THR A 44 -10.712 -4.351 -0.257 1.00 0.00 H new ATOM 0 HA THR A 44 -12.526 -5.796 -2.066 1.00 0.00 H new ATOM 0 HB THR A 44 -13.508 -4.200 -0.612 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.440 -2.748 -2.244 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.052 -1.769 -0.721 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.662 -2.706 -0.124 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.673 -2.099 -1.796 1.00 0.00 H new ATOM 704 N MET A 45 -10.156 -3.709 -2.995 1.00 0.00 N ATOM 705 CA MET A 45 -9.363 -3.274 -4.145 1.00 0.00 C ATOM 706 C MET A 45 -8.838 -4.476 -4.937 1.00 0.00 C ATOM 707 O MET A 45 -8.803 -4.448 -6.168 1.00 0.00 O ATOM 708 CB MET A 45 -8.197 -2.397 -3.678 1.00 0.00 C ATOM 709 CG MET A 45 -7.756 -1.362 -4.700 1.00 0.00 C ATOM 710 SD MET A 45 -9.002 -0.092 -4.994 1.00 0.00 S ATOM 711 CE MET A 45 -8.202 0.876 -6.272 1.00 0.00 C ATOM 0 H MET A 45 -9.821 -3.362 -2.096 1.00 0.00 H new ATOM 0 HA MET A 45 -10.007 -2.690 -4.803 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.485 -1.886 -2.759 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.349 -3.037 -3.434 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.836 -0.889 -4.357 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.525 -1.862 -5.640 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.850 1.703 -6.562 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.259 1.270 -5.893 1.00 0.00 H new ATOM 0 HE3 MET A 45 -8.009 0.245 -7.140 1.00 0.00 H new ATOM 721 N ILE A 46 -8.439 -5.531 -4.222 1.00 0.00 N ATOM 722 CA ILE A 46 -7.923 -6.746 -4.851 1.00 0.00 C ATOM 723 C ILE A 46 -8.487 -7.991 -4.165 1.00 0.00 C ATOM 724 O ILE A 46 -8.543 -8.053 -2.936 1.00 0.00 O ATOM 725 CB ILE A 46 -6.380 -6.805 -4.794 1.00 0.00 C ATOM 726 CG1 ILE A 46 -5.764 -5.471 -5.219 1.00 0.00 C ATOM 727 CG2 ILE A 46 -5.859 -7.929 -5.674 1.00 0.00 C ATOM 728 CD1 ILE A 46 -4.318 -5.318 -4.802 1.00 0.00 C ATOM 0 H ILE A 46 -8.464 -5.566 -3.203 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.238 -6.722 -5.894 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.088 -7.002 -3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.834 -5.376 -6.303 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.347 -4.657 -4.789 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.771 -7.957 -5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.263 -8.880 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.169 -7.758 -6.705 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.944 -4.350 -5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.244 -5.382 -3.716 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.723 -6.112 -5.254 1.00 0.00 H new ATOM 740 N ASN A 47 -8.903 -8.980 -4.958 1.00 0.00 N ATOM 741 CA ASN A 47 -9.463 -10.217 -4.409 1.00 0.00 C ATOM 742 C ASN A 47 -9.402 -11.358 -5.429 1.00 0.00 C ATOM 743 O ASN A 47 -10.428 -11.775 -5.973 1.00 0.00 O ATOM 744 CB ASN A 47 -10.911 -9.993 -3.951 1.00 0.00 C ATOM 745 CG ASN A 47 -11.723 -9.162 -4.932 1.00 0.00 C ATOM 746 OD1 ASN A 47 -11.521 -9.237 -6.145 1.00 0.00 O ATOM 747 ND2 ASN A 47 -12.648 -8.363 -4.409 1.00 0.00 N ATOM 0 H ASN A 47 -8.863 -8.950 -5.977 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.859 -10.502 -3.548 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.396 -10.959 -3.813 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.907 -9.497 -2.980 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.223 -7.782 -5.018 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -12.782 -8.332 -3.398 1.00 0.00 H new ATOM 754 N ASN A 48 -8.193 -11.863 -5.686 1.00 0.00 N ATOM 755 CA ASN A 48 -8.008 -12.955 -6.640 1.00 0.00 C ATOM 756 C ASN A 48 -6.650 -13.625 -6.453 1.00 0.00 C ATOM 757 O ASN A 48 -5.632 -12.946 -6.330 1.00 0.00 O ATOM 758 CB ASN A 48 -8.126 -12.437 -8.075 1.00 0.00 C ATOM 759 CG ASN A 48 -8.827 -13.423 -8.990 1.00 0.00 C ATOM 760 OD1 ASN A 48 -10.044 -13.370 -9.158 1.00 0.00 O ATOM 761 ND2 ASN A 48 -8.063 -14.337 -9.581 1.00 0.00 N ATOM 0 H ASN A 48 -7.332 -11.534 -5.248 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.790 -13.691 -6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.673 -11.494 -8.074 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.130 -12.228 -8.466 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.483 -15.029 -10.201 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.057 -14.346 -9.414 1.00 0.00 H new ATOM 768 N PRO A 49 -6.605 -14.972 -6.447 1.00 0.00 N ATOM 769 CA PRO A 49 -5.347 -15.712 -6.293 1.00 0.00 C ATOM 770 C PRO A 49 -4.473 -15.606 -7.541 1.00 0.00 C ATOM 771 O PRO A 49 -4.214 -16.599 -8.226 1.00 0.00 O ATOM 772 CB PRO A 49 -5.803 -17.154 -6.070 1.00 0.00 C ATOM 773 CG PRO A 49 -7.132 -17.238 -6.739 1.00 0.00 C ATOM 774 CD PRO A 49 -7.762 -15.876 -6.605 1.00 0.00 C ATOM 0 HA PRO A 49 -4.735 -15.324 -5.479 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.097 -17.864 -6.501 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.879 -17.386 -5.008 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.022 -17.514 -7.788 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.754 -18.001 -6.272 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.354 -15.620 -7.484 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.430 -15.826 -5.745 1.00 0.00 H new ATOM 782 N ASN A 50 -4.023 -14.391 -7.832 1.00 0.00 N ATOM 783 CA ASN A 50 -3.179 -14.137 -8.992 1.00 0.00 C ATOM 784 C ASN A 50 -2.449 -12.803 -8.852 1.00 0.00 C ATOM 785 O ASN A 50 -1.247 -12.723 -9.100 1.00 0.00 O ATOM 786 CB ASN A 50 -4.009 -14.152 -10.279 1.00 0.00 C ATOM 787 CG ASN A 50 -3.185 -14.572 -11.482 1.00 0.00 C ATOM 788 OD1 ASN A 50 -3.047 -15.760 -11.770 1.00 0.00 O ATOM 789 ND2 ASN A 50 -2.631 -13.594 -12.190 1.00 0.00 N ATOM 0 H ASN A 50 -4.231 -13.562 -7.276 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.436 -14.933 -9.047 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.850 -14.835 -10.160 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.426 -13.160 -10.453 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.065 -13.815 -13.009 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.772 -12.622 -11.915 1.00 0.00 H new ATOM 796 N ASP A 51 -3.181 -11.761 -8.443 1.00 0.00 N ATOM 797 CA ASP A 51 -2.599 -10.433 -8.257 1.00 0.00 C ATOM 798 C ASP A 51 -2.111 -10.255 -6.819 1.00 0.00 C ATOM 799 O ASP A 51 -1.033 -9.705 -6.587 1.00 0.00 O ATOM 800 CB ASP A 51 -3.605 -9.319 -8.613 1.00 0.00 C ATOM 801 CG ASP A 51 -5.059 -9.665 -8.310 1.00 0.00 C ATOM 802 OD1 ASP A 51 -5.314 -10.425 -7.357 1.00 0.00 O ATOM 803 OD2 ASP A 51 -5.945 -9.165 -9.028 1.00 0.00 O ATOM 0 H ASP A 51 -4.178 -11.815 -8.235 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.749 -10.352 -8.934 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.337 -8.415 -8.065 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.512 -9.088 -9.674 1.00 0.00 H new ATOM 808 N VAL A 52 -2.904 -10.723 -5.852 1.00 0.00 N ATOM 809 CA VAL A 52 -2.536 -10.611 -4.448 1.00 0.00 C ATOM 810 C VAL A 52 -1.400 -11.564 -4.096 1.00 0.00 C ATOM 811 O VAL A 52 -0.564 -11.247 -3.257 1.00 0.00 O ATOM 812 CB VAL A 52 -3.715 -10.897 -3.494 1.00 0.00 C ATOM 813 CG1 VAL A 52 -3.614 -9.993 -2.292 1.00 0.00 C ATOM 814 CG2 VAL A 52 -5.063 -10.721 -4.174 1.00 0.00 C ATOM 0 H VAL A 52 -3.800 -11.180 -6.019 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.220 -9.577 -4.314 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.650 -11.940 -3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.445 -10.192 -1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.673 -10.179 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.651 -8.953 -2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.860 -10.933 -3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.159 -9.696 -4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.137 -11.407 -5.017 1.00 0.00 H new ATOM 824 N SER A 53 -1.380 -12.732 -4.736 1.00 0.00 N ATOM 825 CA SER A 53 -0.344 -13.734 -4.479 1.00 0.00 C ATOM 826 C SER A 53 1.064 -13.131 -4.552 1.00 0.00 C ATOM 827 O SER A 53 1.975 -13.591 -3.861 1.00 0.00 O ATOM 828 CB SER A 53 -0.468 -14.895 -5.470 1.00 0.00 C ATOM 829 OG SER A 53 -1.069 -14.477 -6.685 1.00 0.00 O ATOM 0 H SER A 53 -2.068 -13.009 -5.436 1.00 0.00 H new ATOM 0 HA SER A 53 -0.495 -14.106 -3.466 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.520 -15.308 -5.674 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.061 -15.694 -5.025 1.00 0.00 H new ATOM 0 HG SER A 53 -0.556 -13.733 -7.065 1.00 0.00 H new ATOM 835 N ILE A 54 1.243 -12.103 -5.387 1.00 0.00 N ATOM 836 CA ILE A 54 2.547 -11.458 -5.532 1.00 0.00 C ATOM 837 C ILE A 54 2.839 -10.520 -4.358 1.00 0.00 C ATOM 838 O ILE A 54 3.769 -10.756 -3.587 1.00 0.00 O ATOM 839 CB ILE A 54 2.657 -10.664 -6.855 1.00 0.00 C ATOM 840 CG1 ILE A 54 2.197 -11.520 -8.040 1.00 0.00 C ATOM 841 CG2 ILE A 54 4.089 -10.188 -7.066 1.00 0.00 C ATOM 842 CD1 ILE A 54 1.037 -10.919 -8.803 1.00 0.00 C ATOM 0 H ILE A 54 0.506 -11.703 -5.968 1.00 0.00 H new ATOM 0 HA ILE A 54 3.285 -12.260 -5.545 1.00 0.00 H new ATOM 0 HB ILE A 54 2.005 -9.793 -6.790 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.035 -11.663 -8.722 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.910 -12.507 -7.676 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.153 -9.631 -8.000 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.384 -9.543 -6.238 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.756 -11.049 -7.111 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.764 -11.577 -9.628 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.184 -10.801 -8.135 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.326 -9.945 -9.197 1.00 0.00 H new ATOM 854 N PHE A 55 2.044 -9.455 -4.234 1.00 0.00 N ATOM 855 CA PHE A 55 2.219 -8.474 -3.159 1.00 0.00 C ATOM 856 C PHE A 55 1.979 -9.106 -1.783 1.00 0.00 C ATOM 857 O PHE A 55 2.653 -8.763 -0.811 1.00 0.00 O ATOM 858 CB PHE A 55 1.265 -7.292 -3.375 1.00 0.00 C ATOM 859 CG PHE A 55 1.570 -6.084 -2.526 1.00 0.00 C ATOM 860 CD1 PHE A 55 2.518 -5.157 -2.931 1.00 0.00 C ATOM 861 CD2 PHE A 55 0.902 -5.873 -1.329 1.00 0.00 C ATOM 862 CE1 PHE A 55 2.793 -4.043 -2.159 1.00 0.00 C ATOM 863 CE2 PHE A 55 1.175 -4.762 -0.553 1.00 0.00 C ATOM 864 CZ PHE A 55 2.122 -3.847 -0.969 1.00 0.00 C ATOM 0 H PHE A 55 1.271 -9.249 -4.866 1.00 0.00 H new ATOM 0 HA PHE A 55 3.249 -8.117 -3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.298 -7.001 -4.425 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.246 -7.620 -3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.048 -5.307 -3.860 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.160 -6.585 -0.999 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.532 -3.327 -2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.648 -4.610 0.377 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.337 -2.979 -0.364 1.00 0.00 H new ATOM 874 N ILE A 56 1.015 -10.025 -1.714 1.00 0.00 N ATOM 875 CA ILE A 56 0.676 -10.706 -0.464 1.00 0.00 C ATOM 876 C ILE A 56 0.738 -12.229 -0.624 1.00 0.00 C ATOM 877 O ILE A 56 -0.238 -12.862 -1.034 1.00 0.00 O ATOM 878 CB ILE A 56 -0.736 -10.310 0.030 1.00 0.00 C ATOM 879 CG1 ILE A 56 -0.896 -8.786 0.063 1.00 0.00 C ATOM 880 CG2 ILE A 56 -1.011 -10.904 1.406 1.00 0.00 C ATOM 881 CD1 ILE A 56 0.021 -8.095 1.052 1.00 0.00 C ATOM 0 H ILE A 56 0.453 -10.316 -2.514 1.00 0.00 H new ATOM 0 HA ILE A 56 1.415 -10.392 0.273 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.464 -10.715 -0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.705 -8.389 -0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.930 -8.544 0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.009 -10.614 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.949 -11.991 1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.272 -10.533 2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.151 -7.019 1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.185 -8.463 2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.059 -8.305 0.794 1.00 0.00 H new ATOM 893 N GLU A 57 1.890 -12.811 -0.290 1.00 0.00 N ATOM 894 CA GLU A 57 2.087 -14.259 -0.386 1.00 0.00 C ATOM 895 C GLU A 57 1.955 -14.921 0.989 1.00 0.00 C ATOM 896 O GLU A 57 2.716 -14.614 1.909 1.00 0.00 O ATOM 897 CB GLU A 57 3.462 -14.569 -0.992 1.00 0.00 C ATOM 898 CG GLU A 57 3.622 -16.005 -1.475 1.00 0.00 C ATOM 899 CD GLU A 57 3.243 -16.179 -2.934 1.00 0.00 C ATOM 900 OE1 GLU A 57 4.092 -15.895 -3.808 1.00 0.00 O ATOM 901 OE2 GLU A 57 2.096 -16.598 -3.204 1.00 0.00 O ATOM 0 H GLU A 57 2.704 -12.300 0.051 1.00 0.00 H new ATOM 0 HA GLU A 57 1.313 -14.665 -1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.638 -13.894 -1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.230 -14.360 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.656 -16.318 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.003 -16.661 -0.863 1.00 0.00 H new ATOM 908 N ASP A 58 0.981 -15.828 1.115 1.00 0.00 N ATOM 909 CA ASP A 58 0.731 -16.544 2.370 1.00 0.00 C ATOM 910 C ASP A 58 0.403 -15.569 3.504 1.00 0.00 C ATOM 911 O ASP A 58 1.154 -15.453 4.473 1.00 0.00 O ATOM 912 CB ASP A 58 1.939 -17.414 2.738 1.00 0.00 C ATOM 913 CG ASP A 58 1.841 -18.823 2.179 1.00 0.00 C ATOM 914 OD1 ASP A 58 1.190 -19.006 1.127 1.00 0.00 O ATOM 915 OD2 ASP A 58 2.417 -19.744 2.794 1.00 0.00 O ATOM 0 H ASP A 58 0.349 -16.085 0.357 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.133 -17.192 2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.848 -16.942 2.365 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.028 -17.464 3.823 1.00 0.00 H new ATOM 920 N ASP A 59 -0.730 -14.868 3.359 1.00 0.00 N ATOM 921 CA ASP A 59 -1.198 -13.883 4.346 1.00 0.00 C ATOM 922 C ASP A 59 -0.060 -12.988 4.859 1.00 0.00 C ATOM 923 O ASP A 59 -0.060 -12.566 6.017 1.00 0.00 O ATOM 924 CB ASP A 59 -1.917 -14.577 5.518 1.00 0.00 C ATOM 925 CG ASP A 59 -1.031 -15.540 6.289 1.00 0.00 C ATOM 926 OD1 ASP A 59 -0.349 -15.096 7.236 1.00 0.00 O ATOM 927 OD2 ASP A 59 -1.026 -16.741 5.949 1.00 0.00 O ATOM 0 H ASP A 59 -1.349 -14.967 2.554 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.911 -13.236 3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.296 -13.818 6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.781 -15.119 5.134 1.00 0.00 H new ATOM 932 N SER A 60 0.900 -12.692 3.982 1.00 0.00 N ATOM 933 CA SER A 60 2.033 -11.846 4.339 1.00 0.00 C ATOM 934 C SER A 60 2.650 -11.220 3.094 1.00 0.00 C ATOM 935 O SER A 60 2.626 -11.812 2.015 1.00 0.00 O ATOM 936 CB SER A 60 3.086 -12.659 5.099 1.00 0.00 C ATOM 937 OG SER A 60 4.094 -11.819 5.635 1.00 0.00 O ATOM 0 H SER A 60 0.913 -13.027 3.019 1.00 0.00 H new ATOM 0 HA SER A 60 1.673 -11.046 4.986 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.607 -13.216 5.904 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.537 -13.391 4.429 1.00 0.00 H new ATOM 0 HG SER A 60 4.752 -12.363 6.116 1.00 0.00 H new ATOM 943 N ILE A 61 3.206 -10.022 3.247 1.00 0.00 N ATOM 944 CA ILE A 61 3.828 -9.326 2.128 1.00 0.00 C ATOM 945 C ILE A 61 5.055 -10.087 1.627 1.00 0.00 C ATOM 946 O ILE A 61 5.699 -10.816 2.385 1.00 0.00 O ATOM 947 CB ILE A 61 4.240 -7.887 2.507 1.00 0.00 C ATOM 948 CG1 ILE A 61 3.060 -7.138 3.128 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.748 -7.140 1.283 1.00 0.00 C ATOM 950 CD1 ILE A 61 3.294 -6.722 4.565 1.00 0.00 C ATOM 0 H ILE A 61 3.238 -9.515 4.132 1.00 0.00 H new ATOM 0 HA ILE A 61 3.083 -9.275 1.334 1.00 0.00 H new ATOM 0 HB ILE A 61 5.043 -7.943 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.849 -6.250 2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.174 -7.771 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.034 -6.127 1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.614 -7.660 0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.961 -7.097 0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.416 -6.196 4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.475 -7.607 5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.161 -6.063 4.616 1.00 0.00 H new ATOM 962 N ARG A 62 5.371 -9.910 0.347 1.00 0.00 N ATOM 963 CA ARG A 62 6.521 -10.574 -0.261 1.00 0.00 C ATOM 964 C ARG A 62 7.814 -9.840 0.090 1.00 0.00 C ATOM 965 O ARG A 62 8.001 -8.687 -0.305 1.00 0.00 O ATOM 966 CB ARG A 62 6.358 -10.639 -1.783 1.00 0.00 C ATOM 967 CG ARG A 62 7.454 -11.429 -2.485 1.00 0.00 C ATOM 968 CD ARG A 62 7.479 -11.149 -3.983 1.00 0.00 C ATOM 969 NE ARG A 62 7.661 -12.370 -4.769 1.00 0.00 N ATOM 970 CZ ARG A 62 6.691 -13.257 -5.007 1.00 0.00 C ATOM 971 NH1 ARG A 62 5.468 -13.070 -4.514 1.00 0.00 N ATOM 972 NH2 ARG A 62 6.945 -14.338 -5.735 1.00 0.00 N ATOM 0 H ARG A 62 4.846 -9.311 -0.290 1.00 0.00 H new ATOM 0 HA ARG A 62 6.575 -11.589 0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.393 -11.088 -2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.342 -9.624 -2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.421 -11.175 -2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.299 -12.495 -2.316 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.547 -10.665 -4.276 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.285 -10.451 -4.207 1.00 0.00 H new ATOM 0 HE ARG A 62 8.585 -12.555 -5.159 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.266 -12.244 -3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.733 -13.752 -4.701 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.880 -14.491 -6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.205 -15.016 -5.917 1.00 0.00 H new ATOM 986 N PRO A 63 8.726 -10.499 0.838 1.00 0.00 N ATOM 987 CA PRO A 63 10.007 -9.899 1.237 1.00 0.00 C ATOM 988 C PRO A 63 10.787 -9.368 0.037 1.00 0.00 C ATOM 989 O PRO A 63 11.414 -10.133 -0.698 1.00 0.00 O ATOM 990 CB PRO A 63 10.756 -11.058 1.901 1.00 0.00 C ATOM 991 CG PRO A 63 9.685 -11.982 2.367 1.00 0.00 C ATOM 992 CD PRO A 63 8.585 -11.878 1.349 1.00 0.00 C ATOM 0 HA PRO A 63 9.872 -9.039 1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.426 -11.551 1.197 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.368 -10.709 2.733 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.055 -13.005 2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.329 -11.700 3.358 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.701 -12.615 0.555 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.605 -12.043 1.797 1.00 0.00 H new ATOM 1000 N GLY A 64 10.726 -8.053 -0.160 1.00 0.00 N ATOM 1001 CA GLY A 64 11.414 -7.432 -1.278 1.00 0.00 C ATOM 1002 C GLY A 64 10.794 -6.104 -1.680 1.00 0.00 C ATOM 1003 O GLY A 64 11.492 -5.209 -2.160 1.00 0.00 O ATOM 0 H GLY A 64 10.211 -7.406 0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.460 -7.276 -1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.398 -8.110 -2.132 1.00 0.00 H new ATOM 1007 N ILE A 65 9.478 -5.974 -1.482 1.00 0.00 N ATOM 1008 CA ILE A 65 8.766 -4.743 -1.824 1.00 0.00 C ATOM 1009 C ILE A 65 9.256 -3.576 -0.968 1.00 0.00 C ATOM 1010 O ILE A 65 9.452 -3.718 0.241 1.00 0.00 O ATOM 1011 CB ILE A 65 7.238 -4.895 -1.647 1.00 0.00 C ATOM 1012 CG1 ILE A 65 6.723 -6.119 -2.412 1.00 0.00 C ATOM 1013 CG2 ILE A 65 6.520 -3.635 -2.115 1.00 0.00 C ATOM 1014 CD1 ILE A 65 5.314 -6.518 -2.033 1.00 0.00 C ATOM 0 H ILE A 65 8.887 -6.706 -1.087 1.00 0.00 H new ATOM 0 HA ILE A 65 8.975 -4.539 -2.874 1.00 0.00 H new ATOM 0 HB ILE A 65 7.029 -5.041 -0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.758 -5.911 -3.481 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.392 -6.960 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.445 -3.759 -1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.862 -2.782 -1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.739 -3.461 -3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.015 -7.391 -2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.277 -6.758 -0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.633 -5.693 -2.242 1.00 0.00 H new ATOM 1026 N ILE A 66 9.459 -2.428 -1.611 1.00 0.00 N ATOM 1027 CA ILE A 66 9.936 -1.229 -0.928 1.00 0.00 C ATOM 1028 C ILE A 66 8.802 -0.224 -0.705 1.00 0.00 C ATOM 1029 O ILE A 66 7.905 -0.092 -1.540 1.00 0.00 O ATOM 1030 CB ILE A 66 11.068 -0.555 -1.735 1.00 0.00 C ATOM 1031 CG1 ILE A 66 12.257 -1.510 -1.886 1.00 0.00 C ATOM 1032 CG2 ILE A 66 11.509 0.744 -1.072 1.00 0.00 C ATOM 1033 CD1 ILE A 66 13.232 -1.096 -2.967 1.00 0.00 C ATOM 0 H ILE A 66 9.299 -2.303 -2.611 1.00 0.00 H new ATOM 0 HA ILE A 66 10.321 -1.541 0.043 1.00 0.00 H new ATOM 0 HB ILE A 66 10.684 -0.316 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 66 12.786 -1.572 -0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.884 -2.510 -2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.307 1.200 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.663 1.429 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.873 0.534 -0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 66 14.047 -1.818 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.718 -1.062 -3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 66 13.634 -0.110 -2.736 1.00 0.00 H new ATOM 1045 N THR A 67 8.852 0.483 0.426 1.00 0.00 N ATOM 1046 CA THR A 67 7.834 1.478 0.761 1.00 0.00 C ATOM 1047 C THR A 67 8.450 2.682 1.478 1.00 0.00 C ATOM 1048 O THR A 67 9.346 2.525 2.311 1.00 0.00 O ATOM 1049 CB THR A 67 6.748 0.851 1.641 1.00 0.00 C ATOM 1050 OG1 THR A 67 6.256 -0.344 1.059 1.00 0.00 O ATOM 1051 CG2 THR A 67 5.565 1.765 1.882 1.00 0.00 C ATOM 0 H THR A 67 9.588 0.384 1.125 1.00 0.00 H new ATOM 0 HA THR A 67 7.388 1.825 -0.171 1.00 0.00 H new ATOM 0 HB THR A 67 7.234 0.655 2.597 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.459 -0.144 0.525 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.835 1.257 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.903 2.674 2.379 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.104 2.023 0.928 1.00 0.00 H new ATOM 1059 N LEU A 68 7.962 3.882 1.151 1.00 0.00 N ATOM 1060 CA LEU A 68 8.463 5.112 1.765 1.00 0.00 C ATOM 1061 C LEU A 68 7.327 6.098 2.038 1.00 0.00 C ATOM 1062 O LEU A 68 6.622 6.515 1.118 1.00 0.00 O ATOM 1063 CB LEU A 68 9.511 5.772 0.863 1.00 0.00 C ATOM 1064 CG LEU A 68 10.862 5.053 0.792 1.00 0.00 C ATOM 1065 CD1 LEU A 68 11.737 5.674 -0.287 1.00 0.00 C ATOM 1066 CD2 LEU A 68 11.564 5.098 2.140 1.00 0.00 C ATOM 0 H LEU A 68 7.221 4.026 0.465 1.00 0.00 H new ATOM 0 HA LEU A 68 8.923 4.843 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.104 5.845 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.678 6.790 1.214 1.00 0.00 H new ATOM 0 HG LEU A 68 10.684 4.009 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.693 5.152 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.239 5.589 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.907 6.726 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.522 4.582 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.731 6.136 2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.943 4.608 2.890 1.00 0.00 H new ATOM 1078 N ILE A 69 7.160 6.473 3.307 1.00 0.00 N ATOM 1079 CA ILE A 69 6.113 7.418 3.699 1.00 0.00 C ATOM 1080 C ILE A 69 6.654 8.847 3.731 1.00 0.00 C ATOM 1081 O ILE A 69 7.349 9.233 4.673 1.00 0.00 O ATOM 1082 CB ILE A 69 5.520 7.074 5.083 1.00 0.00 C ATOM 1083 CG1 ILE A 69 5.140 5.593 5.156 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.309 7.952 5.378 1.00 0.00 C ATOM 1085 CD1 ILE A 69 4.668 5.157 6.526 1.00 0.00 C ATOM 0 H ILE A 69 7.735 6.138 4.080 1.00 0.00 H new ATOM 0 HA ILE A 69 5.324 7.341 2.951 1.00 0.00 H new ATOM 0 HB ILE A 69 6.280 7.269 5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.354 5.392 4.429 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.002 4.991 4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.904 7.696 6.357 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.609 9.000 5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.547 7.789 4.616 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.416 4.097 6.504 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.461 5.326 7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.787 5.734 6.808 1.00 0.00 H new ATOM 1097 N ASN A 70 6.330 9.627 2.696 1.00 0.00 N ATOM 1098 CA ASN A 70 6.779 11.018 2.594 1.00 0.00 C ATOM 1099 C ASN A 70 8.306 11.101 2.567 1.00 0.00 C ATOM 1100 O ASN A 70 8.917 11.787 3.387 1.00 0.00 O ATOM 1101 CB ASN A 70 6.218 11.851 3.753 1.00 0.00 C ATOM 1102 CG ASN A 70 6.201 13.336 3.441 1.00 0.00 C ATOM 1103 OD1 ASN A 70 5.011 13.928 3.426 1.00 0.00 O flip ATOM 1104 ND2 ASN A 70 7.245 13.947 3.213 1.00 0.00 N flip ATOM 0 H ASN A 70 5.755 9.316 1.913 1.00 0.00 H new ATOM 0 HA ASN A 70 6.401 11.426 1.657 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.205 11.518 3.979 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.818 11.677 4.646 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.139 13.456 3.234 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.217 14.945 3.003 1.00 0.00 H new ATOM 1111 N ASP A 71 8.915 10.388 1.619 1.00 0.00 N ATOM 1112 CA ASP A 71 10.371 10.365 1.478 1.00 0.00 C ATOM 1113 C ASP A 71 11.046 9.901 2.773 1.00 0.00 C ATOM 1114 O ASP A 71 12.154 10.332 3.097 1.00 0.00 O ATOM 1115 CB ASP A 71 10.891 11.751 1.076 1.00 0.00 C ATOM 1116 CG ASP A 71 12.090 11.676 0.147 1.00 0.00 C ATOM 1117 OD1 ASP A 71 12.087 10.819 -0.763 1.00 0.00 O ATOM 1118 OD2 ASP A 71 13.031 12.476 0.329 1.00 0.00 O ATOM 0 H ASP A 71 8.420 9.816 0.935 1.00 0.00 H new ATOM 0 HA ASP A 71 10.620 9.652 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.091 12.308 0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.165 12.307 1.973 1.00 0.00 H new ATOM 1123 N THR A 72 10.366 9.021 3.510 1.00 0.00 N ATOM 1124 CA THR A 72 10.888 8.496 4.769 1.00 0.00 C ATOM 1125 C THR A 72 10.657 6.986 4.855 1.00 0.00 C ATOM 1126 O THR A 72 9.894 6.425 4.068 1.00 0.00 O ATOM 1127 CB THR A 72 10.221 9.201 5.958 1.00 0.00 C ATOM 1128 OG1 THR A 72 9.937 10.557 5.655 1.00 0.00 O ATOM 1129 CG2 THR A 72 11.058 9.187 7.216 1.00 0.00 C ATOM 0 H THR A 72 9.448 8.657 3.253 1.00 0.00 H new ATOM 0 HA THR A 72 11.961 8.687 4.804 1.00 0.00 H new ATOM 0 HB THR A 72 9.307 8.636 6.139 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.117 10.608 5.121 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.524 9.703 8.014 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.249 8.156 7.514 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.006 9.692 7.028 1.00 0.00 H new ATOM 1137 N ASP A 73 11.319 6.333 5.811 1.00 0.00 N ATOM 1138 CA ASP A 73 11.181 4.887 5.989 1.00 0.00 C ATOM 1139 C ASP A 73 9.899 4.536 6.746 1.00 0.00 C ATOM 1140 O ASP A 73 9.432 5.306 7.586 1.00 0.00 O ATOM 1141 CB ASP A 73 12.397 4.320 6.729 1.00 0.00 C ATOM 1142 CG ASP A 73 13.292 3.480 5.834 1.00 0.00 C ATOM 1143 OD1 ASP A 73 13.331 3.738 4.612 1.00 0.00 O ATOM 1144 OD2 ASP A 73 13.956 2.562 6.359 1.00 0.00 O ATOM 0 H ASP A 73 11.954 6.781 6.472 1.00 0.00 H new ATOM 0 HA ASP A 73 11.123 4.437 4.998 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.978 5.142 7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.056 3.712 7.567 1.00 0.00 H new ATOM 1149 N TRP A 74 9.338 3.365 6.440 1.00 0.00 N ATOM 1150 CA TRP A 74 8.109 2.903 7.086 1.00 0.00 C ATOM 1151 C TRP A 74 8.352 2.562 8.556 1.00 0.00 C ATOM 1152 O TRP A 74 7.665 3.073 9.442 1.00 0.00 O ATOM 1153 CB TRP A 74 7.551 1.676 6.354 1.00 0.00 C ATOM 1154 CG TRP A 74 6.058 1.561 6.419 1.00 0.00 C ATOM 1155 CD1 TRP A 74 5.219 2.213 7.276 1.00 0.00 C ATOM 1156 CD2 TRP A 74 5.226 0.738 5.593 1.00 0.00 C ATOM 1157 NE1 TRP A 74 3.919 1.854 7.028 1.00 0.00 N ATOM 1158 CE2 TRP A 74 3.896 0.947 6.000 1.00 0.00 C ATOM 1159 CE3 TRP A 74 5.478 -0.153 4.547 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 2.822 0.297 5.397 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 4.411 -0.798 3.950 1.00 0.00 C ATOM 1162 CH2 TRP A 74 3.099 -0.569 4.375 1.00 0.00 C ATOM 0 H TRP A 74 9.716 2.718 5.748 1.00 0.00 H new ATOM 0 HA TRP A 74 7.382 3.713 7.037 1.00 0.00 H new ATOM 0 HB2 TRP A 74 7.858 1.717 5.309 1.00 0.00 H new ATOM 0 HB3 TRP A 74 7.994 0.777 6.781 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.533 2.910 8.039 1.00 0.00 H new ATOM 0 HE1 TRP A 74 3.102 2.205 7.527 1.00 0.00 H new ATOM 0 HE3 TRP A 74 6.488 -0.335 4.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 1.807 0.470 5.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 4.594 -1.490 3.142 1.00 0.00 H new ATOM 0 HH2 TRP A 74 2.287 -1.087 3.886 1.00 0.00 H new ATOM 1173 N GLU A 75 9.334 1.695 8.806 1.00 0.00 N ATOM 1174 CA GLU A 75 9.670 1.279 10.169 1.00 0.00 C ATOM 1175 C GLU A 75 10.445 2.366 10.929 1.00 0.00 C ATOM 1176 O GLU A 75 10.673 2.236 12.132 1.00 0.00 O ATOM 1177 CB GLU A 75 10.479 -0.020 10.144 1.00 0.00 C ATOM 1178 CG GLU A 75 9.694 -1.213 9.615 1.00 0.00 C ATOM 1179 CD GLU A 75 9.608 -2.356 10.611 1.00 0.00 C ATOM 1180 OE1 GLU A 75 9.164 -2.117 11.754 1.00 0.00 O ATOM 1181 OE2 GLU A 75 9.983 -3.489 10.245 1.00 0.00 O ATOM 0 H GLU A 75 9.911 1.267 8.082 1.00 0.00 H new ATOM 0 HA GLU A 75 8.731 1.112 10.698 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.365 0.125 9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.827 -0.242 11.153 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.686 -0.890 9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.163 -1.572 8.698 1.00 0.00 H new ATOM 1188 N LEU A 76 10.842 3.438 10.230 1.00 0.00 N ATOM 1189 CA LEU A 76 11.579 4.539 10.858 1.00 0.00 C ATOM 1190 C LEU A 76 10.801 5.130 12.038 1.00 0.00 C ATOM 1191 O LEU A 76 11.396 5.602 13.008 1.00 0.00 O ATOM 1192 CB LEU A 76 11.874 5.639 9.834 1.00 0.00 C ATOM 1193 CG LEU A 76 13.351 6.016 9.679 1.00 0.00 C ATOM 1194 CD1 LEU A 76 13.513 7.119 8.642 1.00 0.00 C ATOM 1195 CD2 LEU A 76 13.941 6.449 11.014 1.00 0.00 C ATOM 0 H LEU A 76 10.665 3.565 9.233 1.00 0.00 H new ATOM 0 HA LEU A 76 12.519 4.133 11.233 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.495 5.319 8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.316 6.532 10.115 1.00 0.00 H new ATOM 0 HG LEU A 76 13.894 5.135 9.336 1.00 0.00 H new ATOM 0 HD11 LEU A 76 14.568 7.375 8.544 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.133 6.773 7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 76 12.954 8.000 8.957 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.990 6.712 10.880 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.395 7.315 11.389 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.861 5.631 11.730 1.00 0.00 H new ATOM 1207 N GLU A 77 9.469 5.097 11.951 1.00 0.00 N ATOM 1208 CA GLU A 77 8.614 5.624 13.012 1.00 0.00 C ATOM 1209 C GLU A 77 7.605 4.573 13.467 1.00 0.00 C ATOM 1210 O GLU A 77 7.491 4.289 14.660 1.00 0.00 O ATOM 1211 CB GLU A 77 7.882 6.883 12.539 1.00 0.00 C ATOM 1212 CG GLU A 77 8.606 8.176 12.889 1.00 0.00 C ATOM 1213 CD GLU A 77 7.664 9.284 13.326 1.00 0.00 C ATOM 1214 OE1 GLU A 77 6.797 9.027 14.188 1.00 0.00 O ATOM 1215 OE2 GLU A 77 7.799 10.414 12.808 1.00 0.00 O ATOM 0 H GLU A 77 8.961 4.710 11.155 1.00 0.00 H new ATOM 0 HA GLU A 77 9.250 5.885 13.858 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.749 6.832 11.458 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.886 6.902 12.982 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.323 7.980 13.687 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.177 8.512 12.023 1.00 0.00 H new ATOM 1222 N GLY A 78 6.875 3.996 12.511 1.00 0.00 N ATOM 1223 CA GLY A 78 5.890 2.984 12.842 1.00 0.00 C ATOM 1224 C GLY A 78 5.426 2.194 11.634 1.00 0.00 C ATOM 1225 O GLY A 78 4.709 2.719 10.781 1.00 0.00 O ATOM 0 H GLY A 78 6.950 4.213 11.517 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.313 2.299 13.577 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.029 3.462 13.310 1.00 0.00 H new ATOM 1229 N GLU A 79 5.834 0.928 11.565 1.00 0.00 N ATOM 1230 CA GLU A 79 5.453 0.054 10.456 1.00 0.00 C ATOM 1231 C GLU A 79 3.931 -0.045 10.339 1.00 0.00 C ATOM 1232 O GLU A 79 3.375 0.124 9.254 1.00 0.00 O ATOM 1233 CB GLU A 79 6.058 -1.339 10.642 1.00 0.00 C ATOM 1234 CG GLU A 79 5.979 -2.204 9.393 1.00 0.00 C ATOM 1235 CD GLU A 79 4.776 -3.134 9.387 1.00 0.00 C ATOM 1236 OE1 GLU A 79 4.421 -3.664 10.463 1.00 0.00 O ATOM 1237 OE2 GLU A 79 4.187 -3.331 8.304 1.00 0.00 O ATOM 0 H GLU A 79 6.429 0.484 12.264 1.00 0.00 H new ATOM 0 HA GLU A 79 5.842 0.487 9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.102 -1.237 10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.543 -1.845 11.458 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.937 -1.560 8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.890 -2.797 9.311 1.00 0.00 H new ATOM 1244 N LYS A 80 3.265 -0.308 11.464 1.00 0.00 N ATOM 1245 CA LYS A 80 1.808 -0.414 11.489 1.00 0.00 C ATOM 1246 C LYS A 80 1.204 0.606 12.456 1.00 0.00 C ATOM 1247 O LYS A 80 0.197 1.243 12.145 1.00 0.00 O ATOM 1248 CB LYS A 80 1.378 -1.828 11.884 1.00 0.00 C ATOM 1249 CG LYS A 80 -0.133 -1.995 11.984 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.530 -3.453 12.149 1.00 0.00 C ATOM 1251 CE LYS A 80 -0.666 -3.834 13.615 1.00 0.00 C ATOM 1252 NZ LYS A 80 -0.428 -5.288 13.838 1.00 0.00 N ATOM 0 H LYS A 80 3.713 -0.451 12.369 1.00 0.00 H new ATOM 0 HA LYS A 80 1.439 -0.201 10.486 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.767 -2.536 11.152 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.829 -2.082 12.843 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.507 -1.418 12.830 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.604 -1.589 11.088 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.475 -3.634 11.636 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.217 -4.090 11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.043 -3.256 14.207 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.664 -3.572 13.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.530 -5.505 14.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.121 -5.841 13.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.533 -5.534 13.527 1.00 0.00 H new ATOM 1266 N ASP A 81 1.826 0.749 13.631 1.00 0.00 N ATOM 1267 CA ASP A 81 1.358 1.686 14.656 1.00 0.00 C ATOM 1268 C ASP A 81 1.227 3.113 14.111 1.00 0.00 C ATOM 1269 O ASP A 81 0.454 3.913 14.642 1.00 0.00 O ATOM 1270 CB ASP A 81 2.306 1.669 15.863 1.00 0.00 C ATOM 1271 CG ASP A 81 1.806 0.783 16.993 1.00 0.00 C ATOM 1272 OD1 ASP A 81 1.064 -0.185 16.714 1.00 0.00 O ATOM 1273 OD2 ASP A 81 2.159 1.057 18.159 1.00 0.00 O ATOM 0 H ASP A 81 2.659 0.224 13.896 1.00 0.00 H new ATOM 0 HA ASP A 81 0.366 1.360 14.969 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.288 1.322 15.543 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.433 2.686 16.234 1.00 0.00 H new ATOM 1278 N TYR A 82 1.980 3.429 13.052 1.00 0.00 N ATOM 1279 CA TYR A 82 1.934 4.758 12.443 1.00 0.00 C ATOM 1280 C TYR A 82 0.496 5.152 12.102 1.00 0.00 C ATOM 1281 O TYR A 82 -0.178 4.478 11.318 1.00 0.00 O ATOM 1282 CB TYR A 82 2.805 4.798 11.183 1.00 0.00 C ATOM 1283 CG TYR A 82 2.689 6.085 10.392 1.00 0.00 C ATOM 1284 CD1 TYR A 82 3.502 7.175 10.679 1.00 0.00 C ATOM 1285 CD2 TYR A 82 1.769 6.206 9.358 1.00 0.00 C ATOM 1286 CE1 TYR A 82 3.400 8.349 9.958 1.00 0.00 C ATOM 1287 CE2 TYR A 82 1.663 7.376 8.632 1.00 0.00 C ATOM 1288 CZ TYR A 82 2.480 8.444 8.935 1.00 0.00 C ATOM 1289 OH TYR A 82 2.378 9.611 8.211 1.00 0.00 O ATOM 0 H TYR A 82 2.627 2.782 12.601 1.00 0.00 H new ATOM 0 HA TYR A 82 2.325 5.475 13.165 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.847 4.653 11.469 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.532 3.962 10.539 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.225 7.103 11.478 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.126 5.372 9.118 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.037 9.188 10.194 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.943 7.454 7.831 1.00 0.00 H new ATOM 0 HH TYR A 82 1.683 9.512 7.527 1.00 0.00 H new ATOM 1299 N ILE A 83 0.036 6.250 12.699 1.00 0.00 N ATOM 1300 CA ILE A 83 -1.318 6.744 12.470 1.00 0.00 C ATOM 1301 C ILE A 83 -1.425 7.424 11.104 1.00 0.00 C ATOM 1302 O ILE A 83 -0.580 8.246 10.746 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.749 7.744 13.570 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -1.462 7.174 14.966 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -3.226 8.085 13.431 1.00 0.00 C ATOM 1306 CD1 ILE A 83 -0.230 7.760 15.626 1.00 0.00 C ATOM 0 H ILE A 83 0.584 6.815 13.347 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.983 5.881 12.499 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.168 8.658 13.446 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.326 7.354 15.606 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.342 6.093 14.889 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.512 8.789 14.212 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.405 8.534 12.454 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.820 7.176 13.527 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.094 7.308 16.608 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.645 7.557 15.008 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.354 8.837 15.737 1.00 0.00 H new ATOM 1318 N LEU A 84 -2.466 7.077 10.343 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.674 7.660 9.019 1.00 0.00 C ATOM 1320 C LEU A 84 -2.960 9.162 9.121 1.00 0.00 C ATOM 1321 O LEU A 84 -3.083 9.707 10.221 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.824 6.946 8.296 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.470 5.593 7.660 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -4.671 5.021 6.920 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.279 5.729 6.718 1.00 0.00 C ATOM 0 H LEU A 84 -3.174 6.398 10.621 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.759 7.526 8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.636 6.792 9.007 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.204 7.606 7.516 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.194 4.905 8.459 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.402 4.063 6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.495 4.878 7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.977 5.712 6.134 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.048 4.758 6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.522 6.436 5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.414 6.091 7.274 1.00 0.00 H new ATOM 1337 N GLU A 85 -3.065 9.826 7.970 1.00 0.00 N ATOM 1338 CA GLU A 85 -3.332 11.259 7.927 1.00 0.00 C ATOM 1339 C GLU A 85 -3.653 11.698 6.502 1.00 0.00 C ATOM 1340 O GLU A 85 -2.754 11.848 5.673 1.00 0.00 O ATOM 1341 CB GLU A 85 -2.132 12.050 8.457 1.00 0.00 C ATOM 1342 CG GLU A 85 -2.515 13.350 9.141 1.00 0.00 C ATOM 1343 CD GLU A 85 -1.418 14.391 9.051 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -1.343 15.087 8.017 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -0.630 14.506 10.013 1.00 0.00 O ATOM 0 H GLU A 85 -2.968 9.390 7.053 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.193 11.462 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.580 11.428 9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.458 12.270 7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.424 13.743 8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.742 13.154 10.189 1.00 0.00 H new ATOM 1352 N ASP A 86 -4.940 11.892 6.224 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.388 12.310 4.892 1.00 0.00 C ATOM 1354 C ASP A 86 -4.501 13.420 4.338 1.00 0.00 C ATOM 1355 O ASP A 86 -4.453 14.523 4.888 1.00 0.00 O ATOM 1356 CB ASP A 86 -6.854 12.782 4.906 1.00 0.00 C ATOM 1357 CG ASP A 86 -7.233 13.636 6.112 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -6.336 14.109 6.841 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -8.445 13.834 6.324 1.00 0.00 O ATOM 0 H ASP A 86 -5.693 11.767 6.901 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.313 11.436 4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.047 13.353 3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.504 11.908 4.877 1.00 0.00 H new ATOM 1364 N GLY A 87 -3.800 13.117 3.249 1.00 0.00 N ATOM 1365 CA GLY A 87 -2.915 14.088 2.633 1.00 0.00 C ATOM 1366 C GLY A 87 -1.461 13.634 2.605 1.00 0.00 C ATOM 1367 O GLY A 87 -0.587 14.388 2.174 1.00 0.00 O ATOM 0 H GLY A 87 -3.830 12.211 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.249 14.281 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.985 15.031 3.175 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.198 12.402 3.060 1.00 0.00 N ATOM 1372 CA ASP A 88 0.160 11.865 3.078 1.00 0.00 C ATOM 1373 C ASP A 88 0.571 11.358 1.696 1.00 0.00 C ATOM 1374 O ASP A 88 -0.272 11.160 0.818 1.00 0.00 O ATOM 1375 CB ASP A 88 0.287 10.736 4.115 1.00 0.00 C ATOM 1376 CG ASP A 88 -0.737 9.625 3.933 1.00 0.00 C ATOM 1377 OD1 ASP A 88 -0.827 9.069 2.816 1.00 0.00 O ATOM 1378 OD2 ASP A 88 -1.446 9.308 4.910 1.00 0.00 O ATOM 0 H ASP A 88 -1.908 11.764 3.418 1.00 0.00 H new ATOM 0 HA ASP A 88 0.832 12.676 3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.288 10.310 4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.180 11.158 5.114 1.00 0.00 H new ATOM 1383 N ILE A 89 1.874 11.152 1.513 1.00 0.00 N ATOM 1384 CA ILE A 89 2.405 10.670 0.241 1.00 0.00 C ATOM 1385 C ILE A 89 3.200 9.377 0.430 1.00 0.00 C ATOM 1386 O ILE A 89 4.397 9.410 0.722 1.00 0.00 O ATOM 1387 CB ILE A 89 3.308 11.729 -0.429 1.00 0.00 C ATOM 1388 CG1 ILE A 89 2.622 13.101 -0.428 1.00 0.00 C ATOM 1389 CG2 ILE A 89 3.663 11.308 -1.850 1.00 0.00 C ATOM 1390 CD1 ILE A 89 1.337 13.142 -1.227 1.00 0.00 C ATOM 0 H ILE A 89 2.581 11.312 2.230 1.00 0.00 H new ATOM 0 HA ILE A 89 1.550 10.473 -0.406 1.00 0.00 H new ATOM 0 HB ILE A 89 4.231 11.807 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.408 13.389 0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.313 13.842 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.300 12.066 -2.306 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.193 10.356 -1.826 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.750 11.200 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.911 14.144 -1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.546 12.886 -2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.628 12.426 -0.812 1.00 0.00 H new ATOM 1402 N ILE A 90 2.524 8.242 0.263 1.00 0.00 N ATOM 1403 CA ILE A 90 3.160 6.933 0.414 1.00 0.00 C ATOM 1404 C ILE A 90 3.698 6.419 -0.923 1.00 0.00 C ATOM 1405 O ILE A 90 3.174 6.761 -1.984 1.00 0.00 O ATOM 1406 CB ILE A 90 2.169 5.897 0.994 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.542 6.429 2.286 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.860 4.561 1.245 1.00 0.00 C ATOM 1409 CD1 ILE A 90 0.564 5.469 2.927 1.00 0.00 C ATOM 0 H ILE A 90 1.534 8.202 0.023 1.00 0.00 H new ATOM 0 HA ILE A 90 3.992 7.061 1.106 1.00 0.00 H new ATOM 0 HB ILE A 90 1.378 5.734 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.335 6.655 2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.029 7.367 2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.141 3.850 1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.259 4.176 0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.675 4.701 1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.161 5.914 3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.250 5.262 2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.076 4.539 3.174 1.00 0.00 H new ATOM 1421 N SER A 91 4.744 5.594 -0.866 1.00 0.00 N ATOM 1422 CA SER A 91 5.347 5.030 -2.075 1.00 0.00 C ATOM 1423 C SER A 91 5.467 3.510 -1.976 1.00 0.00 C ATOM 1424 O SER A 91 5.680 2.965 -0.893 1.00 0.00 O ATOM 1425 CB SER A 91 6.726 5.645 -2.332 1.00 0.00 C ATOM 1426 OG SER A 91 6.861 6.906 -1.698 1.00 0.00 O ATOM 0 H SER A 91 5.191 5.302 0.003 1.00 0.00 H new ATOM 0 HA SER A 91 4.691 5.271 -2.911 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.500 4.969 -1.968 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.880 5.758 -3.405 1.00 0.00 H new ATOM 0 HG SER A 91 6.924 6.779 -0.728 1.00 0.00 H new ATOM 1432 N PHE A 92 5.326 2.836 -3.117 1.00 0.00 N ATOM 1433 CA PHE A 92 5.415 1.378 -3.178 1.00 0.00 C ATOM 1434 C PHE A 92 6.209 0.932 -4.406 1.00 0.00 C ATOM 1435 O PHE A 92 5.658 0.805 -5.503 1.00 0.00 O ATOM 1436 CB PHE A 92 4.012 0.760 -3.209 1.00 0.00 C ATOM 1437 CG PHE A 92 3.451 0.450 -1.850 1.00 0.00 C ATOM 1438 CD1 PHE A 92 3.993 -0.564 -1.076 1.00 0.00 C ATOM 1439 CD2 PHE A 92 2.378 1.170 -1.349 1.00 0.00 C ATOM 1440 CE1 PHE A 92 3.475 -0.853 0.171 1.00 0.00 C ATOM 1441 CE2 PHE A 92 1.857 0.886 -0.101 1.00 0.00 C ATOM 1442 CZ PHE A 92 2.406 -0.128 0.659 1.00 0.00 C ATOM 0 H PHE A 92 5.148 3.281 -4.018 1.00 0.00 H new ATOM 0 HA PHE A 92 5.936 1.033 -2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.336 1.444 -3.722 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.043 -0.158 -3.796 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.829 -1.134 -1.452 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.944 1.962 -1.941 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.906 -1.646 0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.022 1.456 0.279 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.000 -0.354 1.634 1.00 0.00 H new ATOM 1452 N THR A 93 7.507 0.700 -4.217 1.00 0.00 N ATOM 1453 CA THR A 93 8.383 0.273 -5.308 1.00 0.00 C ATOM 1454 C THR A 93 8.630 -1.233 -5.254 1.00 0.00 C ATOM 1455 O THR A 93 8.933 -1.782 -4.194 1.00 0.00 O ATOM 1456 CB THR A 93 9.718 1.026 -5.252 1.00 0.00 C ATOM 1457 OG1 THR A 93 9.984 1.497 -3.940 1.00 0.00 O ATOM 1458 CG2 THR A 93 9.771 2.217 -6.184 1.00 0.00 C ATOM 0 H THR A 93 7.976 0.801 -3.317 1.00 0.00 H new ATOM 0 HA THR A 93 7.884 0.507 -6.249 1.00 0.00 H new ATOM 0 HB THR A 93 10.467 0.300 -5.567 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.841 1.972 -3.930 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.742 2.705 -6.096 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.625 1.882 -7.211 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.984 2.923 -5.918 1.00 0.00 H new ATOM 1466 N SER A 94 8.498 -1.896 -6.403 1.00 0.00 N ATOM 1467 CA SER A 94 8.708 -3.340 -6.485 1.00 0.00 C ATOM 1468 C SER A 94 9.867 -3.678 -7.421 1.00 0.00 C ATOM 1469 O SER A 94 9.694 -3.757 -8.638 1.00 0.00 O ATOM 1470 CB SER A 94 7.428 -4.036 -6.956 1.00 0.00 C ATOM 1471 OG SER A 94 7.217 -5.248 -6.252 1.00 0.00 O ATOM 0 H SER A 94 8.247 -1.456 -7.288 1.00 0.00 H new ATOM 0 HA SER A 94 8.963 -3.700 -5.488 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.575 -3.373 -6.809 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.493 -4.239 -8.025 1.00 0.00 H new ATOM 0 HG SER A 94 6.488 -5.749 -6.674 1.00 0.00 H new ATOM 1477 N THR A 95 11.049 -3.883 -6.842 1.00 0.00 N ATOM 1478 CA THR A 95 12.243 -4.224 -7.618 1.00 0.00 C ATOM 1479 C THR A 95 12.134 -5.632 -8.208 1.00 0.00 C ATOM 1480 O THR A 95 12.720 -5.920 -9.254 1.00 0.00 O ATOM 1481 CB THR A 95 13.495 -4.124 -6.742 1.00 0.00 C ATOM 1482 OG1 THR A 95 13.184 -4.398 -5.384 1.00 0.00 O ATOM 1483 CG2 THR A 95 14.159 -2.765 -6.798 1.00 0.00 C ATOM 0 H THR A 95 11.207 -3.819 -5.836 1.00 0.00 H new ATOM 0 HA THR A 95 12.322 -3.511 -8.439 1.00 0.00 H new ATOM 0 HB THR A 95 14.187 -4.864 -7.144 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.998 -4.330 -4.842 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.039 -2.763 -6.155 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.458 -2.548 -7.823 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.458 -2.003 -6.456 1.00 0.00 H new ATOM 1491 N LEU A 96 11.382 -6.502 -7.532 1.00 0.00 N ATOM 1492 CA LEU A 96 11.198 -7.877 -7.987 1.00 0.00 C ATOM 1493 C LEU A 96 10.537 -7.908 -9.366 1.00 0.00 C ATOM 1494 O LEU A 96 9.404 -7.451 -9.530 1.00 0.00 O ATOM 1495 CB LEU A 96 10.349 -8.666 -6.985 1.00 0.00 C ATOM 1496 CG LEU A 96 10.730 -8.481 -5.509 1.00 0.00 C ATOM 1497 CD1 LEU A 96 9.760 -7.531 -4.820 1.00 0.00 C ATOM 1498 CD2 LEU A 96 10.766 -9.826 -4.793 1.00 0.00 C ATOM 0 H LEU A 96 10.891 -6.277 -6.667 1.00 0.00 H new ATOM 0 HA LEU A 96 12.181 -8.342 -8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.306 -8.377 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.419 -9.726 -7.231 1.00 0.00 H new ATOM 0 HG LEU A 96 11.727 -8.042 -5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.047 -7.413 -3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.787 -6.561 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.751 -7.938 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.038 -9.675 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.783 -10.294 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.503 -10.472 -5.270 1.00 0.00 H new ATOM 1510 N HIS A 97 11.256 -8.443 -10.352 1.00 0.00 N ATOM 1511 CA HIS A 97 10.744 -8.527 -11.719 1.00 0.00 C ATOM 1512 C HIS A 97 10.420 -9.969 -12.102 1.00 0.00 C ATOM 1513 O HIS A 97 11.171 -10.893 -11.779 1.00 0.00 O ATOM 1514 CB HIS A 97 11.753 -7.934 -12.710 1.00 0.00 C ATOM 1515 CG HIS A 97 13.136 -8.506 -12.589 1.00 0.00 C ATOM 1516 ND1 HIS A 97 14.046 -8.086 -11.639 1.00 0.00 N ATOM 1517 CD2 HIS A 97 13.761 -9.471 -13.304 1.00 0.00 C ATOM 1518 CE1 HIS A 97 15.170 -8.766 -11.778 1.00 0.00 C ATOM 1519 NE2 HIS A 97 15.022 -9.612 -12.780 1.00 0.00 N ATOM 0 H HIS A 97 12.194 -8.824 -10.230 1.00 0.00 H new ATOM 0 HA HIS A 97 9.822 -7.947 -11.763 1.00 0.00 H new ATOM 0 HB2 HIS A 97 11.390 -8.099 -13.725 1.00 0.00 H new ATOM 0 HB3 HIS A 97 11.803 -6.855 -12.561 1.00 0.00 H new ATOM 0 HD2 HIS A 97 13.345 -10.026 -14.132 1.00 0.00 H new ATOM 0 HE1 HIS A 97 16.058 -8.650 -11.175 1.00 0.00 H new ATOM 0 HE2 HIS A 97 15.731 -10.266 -13.112 1.00 0.00 H new ATOM 1528 N GLY A 98 9.297 -10.151 -12.796 1.00 0.00 N ATOM 1529 CA GLY A 98 8.884 -11.476 -13.220 1.00 0.00 C ATOM 1530 C GLY A 98 7.495 -11.834 -12.728 1.00 0.00 C ATOM 1531 O GLY A 98 7.349 -12.530 -11.724 1.00 0.00 O ATOM 0 H GLY A 98 8.665 -9.399 -13.072 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.906 -11.529 -14.308 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.598 -12.212 -12.850 1.00 0.00 H new ATOM 1535 N GLY A 99 6.475 -11.353 -13.438 1.00 0.00 N ATOM 1536 CA GLY A 99 5.100 -11.631 -13.056 1.00 0.00 C ATOM 1537 C GLY A 99 4.419 -10.435 -12.417 1.00 0.00 C ATOM 1538 O GLY A 99 3.203 -10.256 -12.640 1.00 0.00 O ATOM 0 H GLY A 99 6.577 -10.775 -14.272 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.537 -11.937 -13.938 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.083 -12.469 -12.360 1.00 0.00 H new TER 1542 GLY A 99