USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 729 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 GLY N :NH3+ 144:sc= 0.00734 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.115 X(o=-0.12,f=-0.096) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-0.86) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.074) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.31! X(o=-1.3!,f=-1.2) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.83 F(o=-2.6,f=-0.83) USER MOD Single : A 36 MET CE :methyl 178:sc= -2.51 (180deg=-2.57) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.11 K(o=-1.1,f=-3.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 70:sc= 0.187 USER MOD Single : A 59 HIS : no HD1:sc= -1.02 X(o=-1,f=-1.4) USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= -0.888 (180deg=-1.34) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.487 F(o=-2.7,f=-0.49) USER MOD Single : A 67 LYS NZ :NH3+ 170:sc=-0.00549 (180deg=-0.141) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -125:sc= -0.768 (180deg=-1.52!) USER MOD Single : A 79 LYS NZ :NH3+ 170:sc= -0.019 (180deg=-0.193) USER MOD Single : A 80 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.2) USER MOD Single : A 81 SER OG : rot -1:sc= 0.12 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= 0.924 K(o=0.92,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.659 -6.277 -14.410 1.00 0.00 N ATOM 2 CA GLY A 1 -8.585 -7.048 -15.081 1.00 0.00 C ATOM 3 C GLY A 1 -9.071 -8.399 -15.561 1.00 0.00 C ATOM 4 O GLY A 1 -9.852 -9.060 -14.876 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.255 -5.733 -13.621 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.096 -5.625 -15.092 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.380 -6.932 -14.045 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.205 -6.478 -15.928 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.753 -7.186 -14.391 1.00 0.00 H new ATOM 10 N SER A 2 -8.622 -8.809 -16.737 1.00 0.00 N ATOM 11 CA SER A 2 -9.014 -10.091 -17.305 1.00 0.00 C ATOM 12 C SER A 2 -7.815 -10.779 -17.945 1.00 0.00 C ATOM 13 O SER A 2 -6.956 -10.117 -18.535 1.00 0.00 O ATOM 14 CB SER A 2 -10.127 -9.894 -18.333 1.00 0.00 C ATOM 15 OG SER A 2 -11.273 -9.315 -17.732 1.00 0.00 O ATOM 0 H SER A 2 -7.982 -8.270 -17.320 1.00 0.00 H new ATOM 0 HA SER A 2 -9.388 -10.727 -16.503 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.772 -9.254 -19.141 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.390 -10.853 -18.778 1.00 0.00 H new ATOM 0 HG SER A 2 -11.972 -9.196 -18.408 1.00 0.00 H new ATOM 21 N ALA A 3 -7.772 -12.108 -17.826 1.00 0.00 N ATOM 22 CA ALA A 3 -6.653 -12.912 -18.316 1.00 0.00 C ATOM 23 C ALA A 3 -5.356 -12.497 -17.634 1.00 0.00 C ATOM 24 O ALA A 3 -4.291 -12.440 -18.255 1.00 0.00 O ATOM 25 CB ALA A 3 -6.531 -12.815 -19.831 1.00 0.00 C ATOM 0 H ALA A 3 -8.512 -12.656 -17.387 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.849 -13.955 -18.067 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.691 -13.422 -20.168 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.449 -13.177 -20.294 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.365 -11.776 -20.117 1.00 0.00 H new ATOM 31 N MET A 4 -5.461 -12.207 -16.347 1.00 0.00 N ATOM 32 CA MET A 4 -4.318 -11.783 -15.558 1.00 0.00 C ATOM 33 C MET A 4 -4.070 -12.801 -14.452 1.00 0.00 C ATOM 34 O MET A 4 -4.914 -12.998 -13.575 1.00 0.00 O ATOM 35 CB MET A 4 -4.579 -10.387 -14.970 1.00 0.00 C ATOM 36 CG MET A 4 -3.329 -9.648 -14.505 1.00 0.00 C ATOM 37 SD MET A 4 -2.529 -10.406 -13.076 1.00 0.00 S ATOM 38 CE MET A 4 -1.155 -9.286 -12.823 1.00 0.00 C ATOM 0 H MET A 4 -6.335 -12.259 -15.824 1.00 0.00 H new ATOM 0 HA MET A 4 -3.431 -11.725 -16.189 1.00 0.00 H new ATOM 0 HB2 MET A 4 -5.085 -9.780 -15.721 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.262 -10.485 -14.126 1.00 0.00 H new ATOM 0 HG2 MET A 4 -2.616 -9.604 -15.328 1.00 0.00 H new ATOM 0 HG3 MET A 4 -3.596 -8.620 -14.259 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.564 -9.622 -11.971 1.00 0.00 H new ATOM 0 HE2 MET A 4 -0.529 -9.271 -13.715 1.00 0.00 H new ATOM 0 HE3 MET A 4 -1.534 -8.283 -12.629 1.00 0.00 H new ATOM 48 N GLY A 5 -2.920 -13.455 -14.508 1.00 0.00 N ATOM 49 CA GLY A 5 -2.597 -14.478 -13.534 1.00 0.00 C ATOM 50 C GLY A 5 -2.106 -13.891 -12.231 1.00 0.00 C ATOM 51 O GLY A 5 -0.932 -14.020 -11.887 1.00 0.00 O ATOM 0 H GLY A 5 -2.201 -13.295 -15.214 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.480 -15.089 -13.345 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.833 -15.139 -13.944 1.00 0.00 H new ATOM 55 N HIS A 6 -3.013 -13.261 -11.497 1.00 0.00 N ATOM 56 CA HIS A 6 -2.671 -12.612 -10.234 1.00 0.00 C ATOM 57 C HIS A 6 -2.656 -13.613 -9.084 1.00 0.00 C ATOM 58 O HIS A 6 -2.883 -13.253 -7.929 1.00 0.00 O ATOM 59 CB HIS A 6 -3.639 -11.458 -9.922 1.00 0.00 C ATOM 60 CG HIS A 6 -5.086 -11.856 -9.848 1.00 0.00 C ATOM 61 ND1 HIS A 6 -5.696 -12.282 -8.688 1.00 0.00 N ATOM 62 CD2 HIS A 6 -6.046 -11.883 -10.802 1.00 0.00 C ATOM 63 CE1 HIS A 6 -6.964 -12.553 -8.932 1.00 0.00 C ATOM 64 NE2 HIS A 6 -7.204 -12.319 -10.208 1.00 0.00 N ATOM 0 H HIS A 6 -3.997 -13.184 -11.754 1.00 0.00 H new ATOM 0 HA HIS A 6 -1.668 -12.200 -10.343 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.351 -11.007 -8.972 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.526 -10.690 -10.687 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.923 -11.611 -11.840 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.684 -12.907 -8.209 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.102 -12.442 -10.676 1.00 0.00 H new ATOM 73 N MET A 7 -2.399 -14.871 -9.407 1.00 0.00 N ATOM 74 CA MET A 7 -2.283 -15.906 -8.394 1.00 0.00 C ATOM 75 C MET A 7 -0.826 -16.361 -8.247 1.00 0.00 C ATOM 76 O MET A 7 -0.295 -16.338 -7.139 1.00 0.00 O ATOM 77 CB MET A 7 -3.207 -17.091 -8.698 1.00 0.00 C ATOM 78 CG MET A 7 -3.247 -18.121 -7.582 1.00 0.00 C ATOM 79 SD MET A 7 -4.384 -19.477 -7.920 1.00 0.00 S ATOM 80 CE MET A 7 -4.266 -20.389 -6.384 1.00 0.00 C ATOM 0 H MET A 7 -2.267 -15.199 -10.364 1.00 0.00 H new ATOM 0 HA MET A 7 -2.601 -15.481 -7.442 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.216 -16.720 -8.877 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.877 -17.574 -9.618 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.245 -18.523 -7.429 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.539 -17.632 -6.653 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.914 -21.264 -6.430 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.235 -20.708 -6.228 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.577 -19.751 -5.557 1.00 0.00 H new ATOM 90 N PRO A 8 -0.141 -16.788 -9.340 1.00 0.00 N ATOM 91 CA PRO A 8 1.293 -17.091 -9.272 1.00 0.00 C ATOM 92 C PRO A 8 2.107 -15.838 -8.966 1.00 0.00 C ATOM 93 O PRO A 8 3.138 -15.894 -8.297 1.00 0.00 O ATOM 94 CB PRO A 8 1.628 -17.633 -10.665 1.00 0.00 C ATOM 95 CG PRO A 8 0.544 -17.121 -11.548 1.00 0.00 C ATOM 96 CD PRO A 8 -0.684 -17.037 -10.690 1.00 0.00 C ATOM 0 HA PRO A 8 1.529 -17.800 -8.478 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.606 -17.286 -10.999 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.658 -18.723 -10.668 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.802 -16.144 -11.956 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.383 -17.788 -12.395 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.345 -16.232 -11.012 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.264 -17.959 -10.726 1.00 0.00 H new ATOM 104 N ALA A 9 1.639 -14.712 -9.480 1.00 0.00 N ATOM 105 CA ALA A 9 2.191 -13.418 -9.127 1.00 0.00 C ATOM 106 C ALA A 9 1.074 -12.525 -8.618 1.00 0.00 C ATOM 107 O ALA A 9 0.221 -12.088 -9.388 1.00 0.00 O ATOM 108 CB ALA A 9 2.885 -12.787 -10.325 1.00 0.00 C ATOM 0 H ALA A 9 0.871 -14.671 -10.149 1.00 0.00 H new ATOM 0 HA ALA A 9 2.937 -13.543 -8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.292 -11.817 -10.040 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.694 -13.436 -10.660 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.166 -12.655 -11.134 1.00 0.00 H new ATOM 114 N VAL A 10 1.071 -12.263 -7.324 1.00 0.00 N ATOM 115 CA VAL A 10 -0.010 -11.506 -6.714 1.00 0.00 C ATOM 116 C VAL A 10 0.341 -10.028 -6.656 1.00 0.00 C ATOM 117 O VAL A 10 1.330 -9.638 -6.037 1.00 0.00 O ATOM 118 CB VAL A 10 -0.326 -12.017 -5.291 1.00 0.00 C ATOM 119 CG1 VAL A 10 -1.513 -11.268 -4.697 1.00 0.00 C ATOM 120 CG2 VAL A 10 -0.595 -13.513 -5.308 1.00 0.00 C ATOM 0 H VAL A 10 1.801 -12.561 -6.676 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.895 -11.645 -7.335 1.00 0.00 H new ATOM 0 HB VAL A 10 0.544 -11.829 -4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.717 -11.645 -3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.282 -10.204 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.390 -11.418 -5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.816 -13.855 -4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.446 -13.722 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.284 -14.036 -5.684 1.00 0.00 H new ATOM 130 N ASP A 11 -0.467 -9.212 -7.313 1.00 0.00 N ATOM 131 CA ASP A 11 -0.258 -7.774 -7.315 1.00 0.00 C ATOM 132 C ASP A 11 -1.524 -7.047 -6.894 1.00 0.00 C ATOM 133 O ASP A 11 -2.572 -7.178 -7.529 1.00 0.00 O ATOM 134 CB ASP A 11 0.185 -7.291 -8.697 1.00 0.00 C ATOM 135 CG ASP A 11 0.289 -5.781 -8.771 1.00 0.00 C ATOM 136 OD1 ASP A 11 0.945 -5.184 -7.892 1.00 0.00 O ATOM 137 OD2 ASP A 11 -0.291 -5.184 -9.705 1.00 0.00 O ATOM 0 H ASP A 11 -1.275 -9.522 -7.853 1.00 0.00 H new ATOM 0 HA ASP A 11 0.531 -7.550 -6.597 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.151 -7.732 -8.941 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.524 -7.642 -9.447 1.00 0.00 H new ATOM 142 N VAL A 12 -1.421 -6.302 -5.812 1.00 0.00 N ATOM 143 CA VAL A 12 -2.535 -5.522 -5.299 1.00 0.00 C ATOM 144 C VAL A 12 -2.168 -4.044 -5.316 1.00 0.00 C ATOM 145 O VAL A 12 -1.099 -3.666 -4.843 1.00 0.00 O ATOM 146 CB VAL A 12 -2.900 -5.951 -3.859 1.00 0.00 C ATOM 147 CG1 VAL A 12 -3.987 -5.057 -3.282 1.00 0.00 C ATOM 148 CG2 VAL A 12 -3.339 -7.409 -3.828 1.00 0.00 C ATOM 0 H VAL A 12 -0.566 -6.219 -5.263 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.402 -5.698 -5.936 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.009 -5.844 -3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.225 -5.381 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.636 -4.025 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.880 -5.123 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.591 -7.691 -2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.212 -7.540 -4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.528 -8.041 -4.189 1.00 0.00 H new ATOM 158 N GLU A 13 -3.036 -3.206 -5.866 1.00 0.00 N ATOM 159 CA GLU A 13 -2.740 -1.790 -5.959 1.00 0.00 C ATOM 160 C GLU A 13 -3.594 -1.002 -4.983 1.00 0.00 C ATOM 161 O GLU A 13 -4.819 -1.127 -4.954 1.00 0.00 O ATOM 162 CB GLU A 13 -2.928 -1.274 -7.389 1.00 0.00 C ATOM 163 CG GLU A 13 -4.307 -1.522 -7.971 1.00 0.00 C ATOM 164 CD GLU A 13 -4.461 -0.923 -9.351 1.00 0.00 C ATOM 165 OE1 GLU A 13 -3.928 -1.503 -10.318 1.00 0.00 O ATOM 166 OE2 GLU A 13 -5.124 0.127 -9.480 1.00 0.00 O ATOM 0 H GLU A 13 -3.940 -3.481 -6.250 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.693 -1.648 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.728 -0.203 -7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.186 -1.746 -8.033 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.491 -2.595 -8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.061 -1.099 -7.307 1.00 0.00 H new ATOM 173 N ILE A 14 -2.934 -0.196 -4.176 1.00 0.00 N ATOM 174 CA ILE A 14 -3.605 0.599 -3.176 1.00 0.00 C ATOM 175 C ILE A 14 -3.415 2.072 -3.492 1.00 0.00 C ATOM 176 O ILE A 14 -2.295 2.519 -3.737 1.00 0.00 O ATOM 177 CB ILE A 14 -3.060 0.305 -1.763 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.992 -1.209 -1.531 1.00 0.00 C ATOM 179 CG2 ILE A 14 -3.940 0.969 -0.712 1.00 0.00 C ATOM 180 CD1 ILE A 14 -2.318 -1.600 -0.236 1.00 0.00 C ATOM 0 H ILE A 14 -1.921 -0.076 -4.197 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.664 0.342 -3.193 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.054 0.715 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.004 -1.614 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.457 -1.670 -2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.545 0.754 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.949 2.047 -0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.956 0.581 -0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.309 -2.686 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.294 -1.227 -0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.865 -1.169 0.603 1.00 0.00 H new ATOM 192 N HIS A 15 -4.500 2.817 -3.512 1.00 0.00 N ATOM 193 CA HIS A 15 -4.432 4.234 -3.820 1.00 0.00 C ATOM 194 C HIS A 15 -4.535 5.049 -2.549 1.00 0.00 C ATOM 195 O HIS A 15 -5.293 4.705 -1.644 1.00 0.00 O ATOM 196 CB HIS A 15 -5.541 4.630 -4.792 1.00 0.00 C ATOM 197 CG HIS A 15 -5.419 3.973 -6.131 1.00 0.00 C ATOM 198 ND1 HIS A 15 -6.144 2.858 -6.489 1.00 0.00 N ATOM 199 CD2 HIS A 15 -4.637 4.268 -7.194 1.00 0.00 C ATOM 200 CE1 HIS A 15 -5.810 2.491 -7.709 1.00 0.00 C ATOM 201 NE2 HIS A 15 -4.898 3.330 -8.163 1.00 0.00 N ATOM 0 H HIS A 15 -5.439 2.468 -3.319 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.472 4.437 -4.294 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.506 4.372 -4.355 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.530 5.712 -4.924 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.938 5.088 -7.267 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.214 1.646 -8.247 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.459 3.289 -9.083 1.00 0.00 H new ATOM 210 N PHE A 16 -3.752 6.106 -2.472 1.00 0.00 N ATOM 211 CA PHE A 16 -3.797 7.006 -1.338 1.00 0.00 C ATOM 212 C PHE A 16 -3.854 8.444 -1.809 1.00 0.00 C ATOM 213 O PHE A 16 -3.030 8.869 -2.617 1.00 0.00 O ATOM 214 CB PHE A 16 -2.573 6.821 -0.438 1.00 0.00 C ATOM 215 CG PHE A 16 -2.554 5.525 0.318 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.556 5.224 1.223 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.527 4.620 0.134 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.532 4.043 1.932 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.498 3.433 0.838 1.00 0.00 C ATOM 220 CZ PHE A 16 -2.503 3.144 1.740 1.00 0.00 C ATOM 0 H PHE A 16 -3.072 6.364 -3.187 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.694 6.771 -0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.673 6.885 -1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.532 7.645 0.275 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.366 5.922 1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.738 4.844 -0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.319 3.821 2.638 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.691 2.732 0.684 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.484 2.217 2.294 1.00 0.00 H new ATOM 230 N PRO A 17 -4.840 9.209 -1.329 1.00 0.00 N ATOM 231 CA PRO A 17 -4.902 10.639 -1.591 1.00 0.00 C ATOM 232 C PRO A 17 -3.700 11.342 -0.969 1.00 0.00 C ATOM 233 O PRO A 17 -3.575 11.414 0.257 1.00 0.00 O ATOM 234 CB PRO A 17 -6.210 11.084 -0.929 1.00 0.00 C ATOM 235 CG PRO A 17 -6.540 10.012 0.053 1.00 0.00 C ATOM 236 CD PRO A 17 -5.965 8.742 -0.504 1.00 0.00 C ATOM 0 HA PRO A 17 -4.878 10.880 -2.654 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.092 12.048 -0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.004 11.200 -1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.114 10.236 1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.618 9.925 0.187 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.631 8.071 0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.698 8.195 -1.097 1.00 0.00 H new ATOM 244 N LEU A 18 -2.820 11.838 -1.839 1.00 0.00 N ATOM 245 CA LEU A 18 -1.520 12.395 -1.448 1.00 0.00 C ATOM 246 C LEU A 18 -1.652 13.404 -0.307 1.00 0.00 C ATOM 247 O LEU A 18 -0.797 13.474 0.572 1.00 0.00 O ATOM 248 CB LEU A 18 -0.858 13.041 -2.679 1.00 0.00 C ATOM 249 CG LEU A 18 0.641 13.360 -2.559 1.00 0.00 C ATOM 250 CD1 LEU A 18 1.269 13.450 -3.942 1.00 0.00 C ATOM 251 CD2 LEU A 18 0.875 14.664 -1.809 1.00 0.00 C ATOM 0 H LEU A 18 -2.989 11.866 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.892 11.585 -1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.999 12.376 -3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.387 13.966 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 18 1.107 12.552 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.331 13.676 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.146 12.499 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.780 14.240 -4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.945 14.859 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.390 15.482 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.457 14.586 -0.805 1.00 0.00 H new ATOM 263 N LYS A 19 -2.737 14.158 -0.315 1.00 0.00 N ATOM 264 CA LYS A 19 -2.959 15.191 0.694 1.00 0.00 C ATOM 265 C LYS A 19 -3.203 14.587 2.076 1.00 0.00 C ATOM 266 O LYS A 19 -2.701 15.095 3.078 1.00 0.00 O ATOM 267 CB LYS A 19 -4.145 16.089 0.316 1.00 0.00 C ATOM 268 CG LYS A 19 -3.886 17.055 -0.836 1.00 0.00 C ATOM 269 CD LYS A 19 -3.704 16.340 -2.165 1.00 0.00 C ATOM 270 CE LYS A 19 -3.722 17.302 -3.329 1.00 0.00 C ATOM 271 NZ LYS A 19 -2.712 18.384 -3.191 1.00 0.00 N ATOM 0 H LYS A 19 -3.482 14.078 -1.008 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.051 15.793 0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.992 15.455 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.438 16.665 1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.719 17.754 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.995 17.644 -0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.759 15.796 -2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.496 15.602 -2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.537 16.753 -4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.714 17.745 -3.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.659 18.925 -4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.987 19.019 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.782 17.967 -2.984 1.00 0.00 H new ATOM 285 N ARG A 20 -3.967 13.499 2.132 1.00 0.00 N ATOM 286 CA ARG A 20 -4.365 12.924 3.417 1.00 0.00 C ATOM 287 C ARG A 20 -3.272 12.027 3.958 1.00 0.00 C ATOM 288 O ARG A 20 -3.013 12.004 5.159 1.00 0.00 O ATOM 289 CB ARG A 20 -5.640 12.094 3.281 1.00 0.00 C ATOM 290 CG ARG A 20 -6.667 12.684 2.345 1.00 0.00 C ATOM 291 CD ARG A 20 -7.187 14.017 2.844 1.00 0.00 C ATOM 292 NE ARG A 20 -8.082 13.867 3.984 1.00 0.00 N ATOM 293 CZ ARG A 20 -8.174 14.744 4.982 1.00 0.00 C ATOM 294 NH1 ARG A 20 -7.408 15.829 4.988 1.00 0.00 N ATOM 295 NH2 ARG A 20 -9.039 14.544 5.965 1.00 0.00 N ATOM 0 H ARG A 20 -4.320 13.002 1.314 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.543 13.755 4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.375 11.097 2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.089 11.975 4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.226 12.813 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.499 11.988 2.234 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.346 14.651 3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.713 14.525 2.036 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.675 13.038 4.020 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.748 15.992 4.227 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.480 16.500 5.753 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.636 13.717 5.959 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.108 15.217 6.728 1.00 0.00 H new ATOM 309 N ILE A 21 -2.607 11.317 3.059 1.00 0.00 N ATOM 310 CA ILE A 21 -1.584 10.355 3.443 1.00 0.00 C ATOM 311 C ILE A 21 -0.307 11.083 3.875 1.00 0.00 C ATOM 312 O ILE A 21 0.662 10.467 4.302 1.00 0.00 O ATOM 313 CB ILE A 21 -1.281 9.374 2.284 1.00 0.00 C ATOM 314 CG1 ILE A 21 -0.431 8.192 2.762 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.589 10.095 1.138 1.00 0.00 C ATOM 316 CD1 ILE A 21 -1.098 7.357 3.833 1.00 0.00 C ATOM 0 H ILE A 21 -2.759 11.390 2.053 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.961 9.775 4.286 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.232 8.981 1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.199 7.555 1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.517 8.569 3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.385 9.388 0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.234 10.891 0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.349 10.524 1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.437 6.540 4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.306 7.980 4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.032 6.949 3.447 1.00 0.00 H new ATOM 328 N ALA A 22 -0.325 12.408 3.759 1.00 0.00 N ATOM 329 CA ALA A 22 0.797 13.231 4.179 1.00 0.00 C ATOM 330 C ALA A 22 0.512 13.899 5.521 1.00 0.00 C ATOM 331 O ALA A 22 1.386 14.538 6.107 1.00 0.00 O ATOM 332 CB ALA A 22 1.097 14.286 3.124 1.00 0.00 C ATOM 0 H ALA A 22 -1.110 12.934 3.375 1.00 0.00 H new ATOM 0 HA ALA A 22 1.667 12.586 4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.939 14.897 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.345 13.798 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.222 14.920 2.984 1.00 0.00 H new ATOM 338 N ALA A 23 -0.710 13.742 6.008 1.00 0.00 N ATOM 339 CA ALA A 23 -1.128 14.397 7.241 1.00 0.00 C ATOM 340 C ALA A 23 -1.029 13.446 8.427 1.00 0.00 C ATOM 341 O ALA A 23 -0.838 12.243 8.245 1.00 0.00 O ATOM 342 CB ALA A 23 -2.546 14.929 7.102 1.00 0.00 C ATOM 0 H ALA A 23 -1.430 13.167 5.570 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.456 15.235 7.425 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.845 15.416 8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.586 15.650 6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.225 14.103 6.890 1.00 0.00 H new ATOM 348 N GLU A 24 -1.160 13.979 9.636 1.00 0.00 N ATOM 349 CA GLU A 24 -1.085 13.156 10.837 1.00 0.00 C ATOM 350 C GLU A 24 -2.359 12.343 10.996 1.00 0.00 C ATOM 351 O GLU A 24 -2.319 11.147 11.286 1.00 0.00 O ATOM 352 CB GLU A 24 -0.869 14.006 12.095 1.00 0.00 C ATOM 353 CG GLU A 24 0.340 14.927 12.041 1.00 0.00 C ATOM 354 CD GLU A 24 0.048 16.237 11.339 1.00 0.00 C ATOM 355 OE1 GLU A 24 -0.640 17.093 11.936 1.00 0.00 O ATOM 356 OE2 GLU A 24 0.497 16.414 10.189 1.00 0.00 O ATOM 0 H GLU A 24 -1.318 14.972 9.810 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.230 12.490 10.722 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.761 14.609 12.267 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.764 13.341 12.952 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.681 15.132 13.056 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.156 14.419 11.527 1.00 0.00 H new ATOM 363 N GLY A 25 -3.492 12.999 10.788 1.00 0.00 N ATOM 364 CA GLY A 25 -4.775 12.344 10.935 1.00 0.00 C ATOM 365 C GLY A 25 -5.249 11.718 9.640 1.00 0.00 C ATOM 366 O GLY A 25 -6.388 11.932 9.219 1.00 0.00 O ATOM 0 H GLY A 25 -3.544 13.981 10.518 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.702 11.574 11.703 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.514 13.068 11.278 1.00 0.00 H new ATOM 370 N TYR A 26 -4.373 10.945 9.013 1.00 0.00 N ATOM 371 CA TYR A 26 -4.684 10.290 7.749 1.00 0.00 C ATOM 372 C TYR A 26 -5.745 9.210 7.938 1.00 0.00 C ATOM 373 O TYR A 26 -6.595 9.006 7.076 1.00 0.00 O ATOM 374 CB TYR A 26 -3.418 9.676 7.134 1.00 0.00 C ATOM 375 CG TYR A 26 -2.682 8.741 8.077 1.00 0.00 C ATOM 376 CD1 TYR A 26 -1.700 9.223 8.930 1.00 0.00 C ATOM 377 CD2 TYR A 26 -2.982 7.385 8.130 1.00 0.00 C ATOM 378 CE1 TYR A 26 -1.038 8.387 9.807 1.00 0.00 C ATOM 379 CE2 TYR A 26 -2.321 6.541 9.003 1.00 0.00 C ATOM 380 CZ TYR A 26 -1.351 7.047 9.840 1.00 0.00 C ATOM 381 OH TYR A 26 -0.699 6.213 10.715 1.00 0.00 O ATOM 0 H TYR A 26 -3.434 10.755 9.362 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.078 11.046 7.070 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.690 9.129 6.231 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.745 10.478 6.830 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.448 10.273 8.908 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.744 6.984 7.478 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.278 8.783 10.464 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.564 5.489 9.029 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.039 5.300 10.611 1.00 0.00 H new ATOM 391 N ALA A 27 -5.705 8.536 9.084 1.00 0.00 N ATOM 392 CA ALA A 27 -6.616 7.431 9.358 1.00 0.00 C ATOM 393 C ALA A 27 -8.025 7.938 9.633 1.00 0.00 C ATOM 394 O ALA A 27 -8.959 7.155 9.807 1.00 0.00 O ATOM 395 CB ALA A 27 -6.109 6.605 10.529 1.00 0.00 C ATOM 0 H ALA A 27 -5.049 8.737 9.839 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.654 6.796 8.473 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.800 5.784 10.721 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.124 6.203 10.291 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.039 7.235 11.416 1.00 0.00 H new ATOM 401 N GLU A 28 -8.165 9.255 9.669 1.00 0.00 N ATOM 402 CA GLU A 28 -9.459 9.881 9.851 1.00 0.00 C ATOM 403 C GLU A 28 -10.058 10.253 8.500 1.00 0.00 C ATOM 404 O GLU A 28 -11.140 10.841 8.428 1.00 0.00 O ATOM 405 CB GLU A 28 -9.333 11.120 10.738 1.00 0.00 C ATOM 406 CG GLU A 28 -8.843 10.812 12.145 1.00 0.00 C ATOM 407 CD GLU A 28 -9.737 9.824 12.869 1.00 0.00 C ATOM 408 OE1 GLU A 28 -10.867 10.199 13.242 1.00 0.00 O ATOM 409 OE2 GLU A 28 -9.321 8.661 13.063 1.00 0.00 O ATOM 0 H GLU A 28 -7.390 9.912 9.574 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.123 9.171 10.344 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.646 11.825 10.269 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.303 11.613 10.800 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.831 10.411 12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.791 11.737 12.719 1.00 0.00 H new ATOM 416 N ASP A 29 -9.347 9.916 7.429 1.00 0.00 N ATOM 417 CA ASP A 29 -9.847 10.139 6.079 1.00 0.00 C ATOM 418 C ASP A 29 -10.636 8.927 5.610 1.00 0.00 C ATOM 419 O ASP A 29 -10.111 7.811 5.543 1.00 0.00 O ATOM 420 CB ASP A 29 -8.707 10.431 5.100 1.00 0.00 C ATOM 421 CG ASP A 29 -9.221 10.580 3.685 1.00 0.00 C ATOM 422 OD1 ASP A 29 -9.668 11.692 3.331 1.00 0.00 O ATOM 423 OD2 ASP A 29 -9.200 9.589 2.931 1.00 0.00 O ATOM 0 H ASP A 29 -8.422 9.487 7.471 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.500 11.011 6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.192 11.344 5.400 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.975 9.624 5.140 1.00 0.00 H new ATOM 428 N GLU A 30 -11.889 9.172 5.240 1.00 0.00 N ATOM 429 CA GLU A 30 -12.850 8.102 5.022 1.00 0.00 C ATOM 430 C GLU A 30 -12.420 7.220 3.872 1.00 0.00 C ATOM 431 O GLU A 30 -12.674 6.011 3.873 1.00 0.00 O ATOM 432 CB GLU A 30 -14.236 8.670 4.724 1.00 0.00 C ATOM 433 CG GLU A 30 -15.320 7.609 4.712 1.00 0.00 C ATOM 434 CD GLU A 30 -16.589 8.081 4.045 1.00 0.00 C ATOM 435 OE1 GLU A 30 -16.686 7.964 2.806 1.00 0.00 O ATOM 436 OE2 GLU A 30 -17.499 8.560 4.751 1.00 0.00 O ATOM 0 H GLU A 30 -12.262 10.109 5.085 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.893 7.508 5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.482 9.425 5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.217 9.173 3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.950 6.723 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.542 7.311 5.737 1.00 0.00 H new ATOM 443 N LEU A 31 -11.762 7.821 2.894 1.00 0.00 N ATOM 444 CA LEU A 31 -11.332 7.090 1.738 1.00 0.00 C ATOM 445 C LEU A 31 -10.209 6.163 2.120 1.00 0.00 C ATOM 446 O LEU A 31 -10.202 5.010 1.723 1.00 0.00 O ATOM 447 CB LEU A 31 -10.870 8.028 0.634 1.00 0.00 C ATOM 448 CG LEU A 31 -10.512 7.328 -0.671 1.00 0.00 C ATOM 449 CD1 LEU A 31 -11.764 6.874 -1.407 1.00 0.00 C ATOM 450 CD2 LEU A 31 -9.672 8.237 -1.535 1.00 0.00 C ATOM 0 H LEU A 31 -11.520 8.812 2.888 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.177 6.514 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.657 8.756 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.001 8.584 0.985 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.927 6.438 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.481 6.377 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.323 6.180 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.387 7.739 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.422 7.726 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.231 9.145 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.755 8.497 -1.006 1.00 0.00 H new ATOM 462 N LEU A 32 -9.286 6.662 2.934 1.00 0.00 N ATOM 463 CA LEU A 32 -8.140 5.890 3.347 1.00 0.00 C ATOM 464 C LEU A 32 -8.599 4.614 4.039 1.00 0.00 C ATOM 465 O LEU A 32 -8.085 3.522 3.778 1.00 0.00 O ATOM 466 CB LEU A 32 -7.285 6.720 4.302 1.00 0.00 C ATOM 467 CG LEU A 32 -5.785 6.588 4.096 1.00 0.00 C ATOM 468 CD1 LEU A 32 -5.307 7.547 3.020 1.00 0.00 C ATOM 469 CD2 LEU A 32 -5.036 6.811 5.395 1.00 0.00 C ATOM 0 H LEU A 32 -9.318 7.606 3.319 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.548 5.624 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.561 7.769 4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.524 6.430 5.325 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.576 5.572 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.231 7.438 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.813 7.322 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.533 8.571 3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.965 6.711 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.250 7.811 5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.354 6.071 6.130 1.00 0.00 H new ATOM 481 N LEU A 33 -9.602 4.766 4.892 1.00 0.00 N ATOM 482 CA LEU A 33 -10.096 3.663 5.692 1.00 0.00 C ATOM 483 C LEU A 33 -10.840 2.632 4.845 1.00 0.00 C ATOM 484 O LEU A 33 -10.539 1.442 4.912 1.00 0.00 O ATOM 485 CB LEU A 33 -11.015 4.202 6.789 1.00 0.00 C ATOM 486 CG LEU A 33 -11.529 3.159 7.781 1.00 0.00 C ATOM 487 CD1 LEU A 33 -10.367 2.491 8.498 1.00 0.00 C ATOM 488 CD2 LEU A 33 -12.479 3.800 8.782 1.00 0.00 C ATOM 0 H LEU A 33 -10.089 5.649 5.046 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.239 3.160 6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.479 4.973 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.871 4.685 6.318 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.077 2.395 7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.750 1.751 9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.723 1.999 7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.793 3.243 9.040 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.836 3.044 9.481 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.955 4.583 9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.327 4.233 8.252 1.00 0.00 H new ATOM 500 N ASN A 34 -11.782 3.077 4.018 1.00 0.00 N ATOM 501 CA ASN A 34 -12.576 2.129 3.238 1.00 0.00 C ATOM 502 C ASN A 34 -11.757 1.559 2.086 1.00 0.00 C ATOM 503 O ASN A 34 -11.991 0.437 1.649 1.00 0.00 O ATOM 504 CB ASN A 34 -13.893 2.745 2.730 1.00 0.00 C ATOM 505 CG ASN A 34 -13.759 3.521 1.431 1.00 0.00 C ATOM 506 OD1 ASN A 34 -13.820 2.951 0.343 1.00 0.00 O ATOM 507 ND2 ASN A 34 -13.612 4.827 1.532 1.00 0.00 N ATOM 0 H ASN A 34 -12.011 4.060 3.871 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.849 1.313 3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.623 1.948 2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.290 3.410 3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -13.545 5.399 0.690 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.565 5.265 2.452 1.00 0.00 H new ATOM 514 N GLN A 35 -10.784 2.328 1.613 1.00 0.00 N ATOM 515 CA GLN A 35 -9.899 1.881 0.548 1.00 0.00 C ATOM 516 C GLN A 35 -9.035 0.729 1.050 1.00 0.00 C ATOM 517 O GLN A 35 -8.907 -0.313 0.397 1.00 0.00 O ATOM 518 CB GLN A 35 -9.018 3.050 0.118 1.00 0.00 C ATOM 519 CG GLN A 35 -8.791 3.159 -1.373 1.00 0.00 C ATOM 520 CD GLN A 35 -8.433 4.572 -1.789 1.00 0.00 C ATOM 521 OE1 GLN A 35 -7.933 5.362 -0.847 1.00 0.00 O flip ATOM 522 NE2 GLN A 35 -8.647 4.965 -2.935 1.00 0.00 N flip ATOM 0 H GLN A 35 -10.588 3.269 1.953 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.484 1.534 -0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.471 3.977 0.471 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.051 2.959 0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.991 2.480 -1.669 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.690 2.842 -1.901 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.032 4.325 -3.630 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.439 5.930 -3.190 1.00 0.00 H new ATOM 531 N MET A 36 -8.492 0.907 2.252 1.00 0.00 N ATOM 532 CA MET A 36 -7.653 -0.105 2.877 1.00 0.00 C ATOM 533 C MET A 36 -8.477 -1.030 3.757 1.00 0.00 C ATOM 534 O MET A 36 -7.936 -1.835 4.505 1.00 0.00 O ATOM 535 CB MET A 36 -6.542 0.541 3.695 1.00 0.00 C ATOM 536 CG MET A 36 -5.405 1.085 2.848 1.00 0.00 C ATOM 537 SD MET A 36 -3.883 0.124 3.016 1.00 0.00 S ATOM 538 CE MET A 36 -4.424 -1.508 2.521 1.00 0.00 C ATOM 0 H MET A 36 -8.621 1.749 2.813 1.00 0.00 H new ATOM 0 HA MET A 36 -7.202 -0.697 2.081 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.963 1.353 4.288 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.144 -0.193 4.396 1.00 0.00 H new ATOM 0 HG2 MET A 36 -5.710 1.094 1.802 1.00 0.00 H new ATOM 0 HG3 MET A 36 -5.209 2.119 3.132 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.577 -2.194 2.543 1.00 0.00 H new ATOM 0 HE2 MET A 36 -5.194 -1.860 3.207 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.830 -1.466 1.510 1.00 0.00 H new ATOM 548 N GLY A 37 -9.786 -0.873 3.703 1.00 0.00 N ATOM 549 CA GLY A 37 -10.669 -1.869 4.263 1.00 0.00 C ATOM 550 C GLY A 37 -11.200 -2.780 3.181 1.00 0.00 C ATOM 551 O GLY A 37 -11.526 -3.945 3.425 1.00 0.00 O ATOM 0 H GLY A 37 -10.255 -0.072 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.136 -2.456 5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.499 -1.381 4.774 1.00 0.00 H new ATOM 555 N LYS A 38 -11.269 -2.242 1.970 1.00 0.00 N ATOM 556 CA LYS A 38 -11.763 -2.978 0.821 1.00 0.00 C ATOM 557 C LYS A 38 -10.685 -3.887 0.245 1.00 0.00 C ATOM 558 O LYS A 38 -10.790 -5.112 0.332 1.00 0.00 O ATOM 559 CB LYS A 38 -12.238 -2.015 -0.262 1.00 0.00 C ATOM 560 CG LYS A 38 -12.777 -2.715 -1.499 1.00 0.00 C ATOM 561 CD LYS A 38 -13.018 -1.738 -2.633 1.00 0.00 C ATOM 562 CE LYS A 38 -13.477 -2.458 -3.889 1.00 0.00 C ATOM 563 NZ LYS A 38 -13.528 -1.549 -5.060 1.00 0.00 N ATOM 0 H LYS A 38 -10.984 -1.285 1.760 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.598 -3.592 1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.016 -1.372 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.410 -1.368 -0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.071 -3.480 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.709 -3.224 -1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.770 -1.008 -2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.102 -1.185 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.800 -3.286 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.464 -2.889 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.846 -2.078 -5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.193 -0.773 -4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.581 -1.157 -5.237 1.00 0.00 H new ATOM 577 N VAL A 39 -9.630 -3.289 -0.310 1.00 0.00 N ATOM 578 CA VAL A 39 -8.615 -4.059 -1.029 1.00 0.00 C ATOM 579 C VAL A 39 -7.575 -4.595 -0.039 1.00 0.00 C ATOM 580 O VAL A 39 -6.369 -4.625 -0.286 1.00 0.00 O ATOM 581 CB VAL A 39 -7.962 -3.212 -2.158 1.00 0.00 C ATOM 582 CG1 VAL A 39 -7.035 -2.134 -1.607 1.00 0.00 C ATOM 583 CG2 VAL A 39 -7.241 -4.105 -3.154 1.00 0.00 C ATOM 0 H VAL A 39 -9.457 -2.284 -0.276 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.092 -4.910 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.766 -2.696 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.603 -1.569 -2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.602 -1.461 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.237 -2.601 -1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.792 -3.491 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.461 -4.667 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.952 -4.799 -3.602 1.00 0.00 H new ATOM 593 N ASN A 40 -8.086 -5.047 1.089 1.00 0.00 N ATOM 594 CA ASN A 40 -7.267 -5.437 2.217 1.00 0.00 C ATOM 595 C ASN A 40 -7.892 -6.610 2.972 1.00 0.00 C ATOM 596 O ASN A 40 -7.307 -7.148 3.906 1.00 0.00 O ATOM 597 CB ASN A 40 -7.091 -4.226 3.125 1.00 0.00 C ATOM 598 CG ASN A 40 -6.413 -4.557 4.432 1.00 0.00 C ATOM 599 OD1 ASN A 40 -7.061 -4.715 5.462 1.00 0.00 O ATOM 600 ND2 ASN A 40 -5.106 -4.698 4.389 1.00 0.00 N ATOM 0 H ASN A 40 -9.088 -5.154 1.249 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.292 -5.774 1.865 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.507 -3.469 2.601 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.068 -3.789 3.330 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.592 -4.948 5.234 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.606 -4.557 3.511 1.00 0.00 H new ATOM 607 N ASP A 41 -9.078 -7.023 2.552 1.00 0.00 N ATOM 608 CA ASP A 41 -9.729 -8.172 3.167 1.00 0.00 C ATOM 609 C ASP A 41 -9.009 -9.451 2.763 1.00 0.00 C ATOM 610 O ASP A 41 -8.947 -10.422 3.520 1.00 0.00 O ATOM 611 CB ASP A 41 -11.201 -8.237 2.759 1.00 0.00 C ATOM 612 CG ASP A 41 -11.906 -9.465 3.302 1.00 0.00 C ATOM 613 OD1 ASP A 41 -11.762 -9.761 4.507 1.00 0.00 O ATOM 614 OD2 ASP A 41 -12.618 -10.133 2.526 1.00 0.00 O ATOM 0 H ASP A 41 -9.606 -6.586 1.796 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.680 -8.065 4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.712 -7.343 3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.273 -8.233 1.671 1.00 0.00 H new ATOM 619 N THR A 42 -8.444 -9.434 1.566 1.00 0.00 N ATOM 620 CA THR A 42 -7.674 -10.559 1.068 1.00 0.00 C ATOM 621 C THR A 42 -6.317 -10.085 0.541 1.00 0.00 C ATOM 622 O THR A 42 -6.061 -10.124 -0.661 1.00 0.00 O ATOM 623 CB THR A 42 -8.438 -11.283 -0.057 1.00 0.00 C ATOM 624 OG1 THR A 42 -9.824 -10.904 -0.030 1.00 0.00 O ATOM 625 CG2 THR A 42 -8.325 -12.787 0.104 1.00 0.00 C ATOM 0 H THR A 42 -8.506 -8.648 0.919 1.00 0.00 H new ATOM 0 HA THR A 42 -7.516 -11.253 1.894 1.00 0.00 H new ATOM 0 HB THR A 42 -7.998 -10.995 -1.012 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.304 -11.366 -0.749 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.871 -13.281 -0.700 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.276 -13.079 0.063 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.747 -13.083 1.064 1.00 0.00 H new ATOM 633 N PRO A 43 -5.427 -9.611 1.435 1.00 0.00 N ATOM 634 CA PRO A 43 -4.136 -9.055 1.058 1.00 0.00 C ATOM 635 C PRO A 43 -2.997 -10.072 1.128 1.00 0.00 C ATOM 636 O PRO A 43 -1.838 -9.694 1.318 1.00 0.00 O ATOM 637 CB PRO A 43 -3.946 -7.968 2.107 1.00 0.00 C ATOM 638 CG PRO A 43 -4.629 -8.489 3.337 1.00 0.00 C ATOM 639 CD PRO A 43 -5.610 -9.555 2.892 1.00 0.00 C ATOM 0 HA PRO A 43 -4.118 -8.708 0.025 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.889 -7.780 2.293 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.385 -7.025 1.782 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.901 -8.904 4.034 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.147 -7.684 3.859 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.396 -10.516 3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.634 -9.292 3.157 1.00 0.00 H new ATOM 647 N GLU A 44 -3.346 -11.353 0.990 1.00 0.00 N ATOM 648 CA GLU A 44 -2.383 -12.464 1.025 1.00 0.00 C ATOM 649 C GLU A 44 -1.818 -12.683 2.434 1.00 0.00 C ATOM 650 O GLU A 44 -1.909 -13.784 2.978 1.00 0.00 O ATOM 651 CB GLU A 44 -1.247 -12.246 0.016 1.00 0.00 C ATOM 652 CG GLU A 44 -0.283 -13.420 -0.089 1.00 0.00 C ATOM 653 CD GLU A 44 -0.927 -14.674 -0.649 1.00 0.00 C ATOM 654 OE1 GLU A 44 -1.589 -15.407 0.115 1.00 0.00 O ATOM 655 OE2 GLU A 44 -0.763 -14.943 -1.856 1.00 0.00 O ATOM 0 H GLU A 44 -4.310 -11.654 0.850 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.925 -13.366 0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.678 -12.053 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.689 -11.354 0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.557 -13.136 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.123 -13.638 0.899 1.00 0.00 H new ATOM 662 N GLU A 45 -1.244 -11.641 3.021 1.00 0.00 N ATOM 663 CA GLU A 45 -0.660 -11.746 4.357 1.00 0.00 C ATOM 664 C GLU A 45 -1.746 -11.810 5.429 1.00 0.00 C ATOM 665 O GLU A 45 -2.457 -12.806 5.559 1.00 0.00 O ATOM 666 CB GLU A 45 0.268 -10.566 4.666 1.00 0.00 C ATOM 667 CG GLU A 45 1.610 -10.601 3.964 1.00 0.00 C ATOM 668 CD GLU A 45 2.620 -9.687 4.637 1.00 0.00 C ATOM 669 OE1 GLU A 45 2.204 -8.763 5.370 1.00 0.00 O ATOM 670 OE2 GLU A 45 3.832 -9.895 4.450 1.00 0.00 O ATOM 0 H GLU A 45 -1.169 -10.716 2.598 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.078 -12.668 4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.242 -9.642 4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.439 -10.531 5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.991 -11.622 3.958 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.484 -10.301 2.924 1.00 0.00 H new ATOM 677 N GLU A 46 -1.869 -10.729 6.184 1.00 0.00 N ATOM 678 CA GLU A 46 -2.862 -10.627 7.234 1.00 0.00 C ATOM 679 C GLU A 46 -4.112 -9.955 6.689 1.00 0.00 C ATOM 680 O GLU A 46 -4.689 -10.414 5.707 1.00 0.00 O ATOM 681 CB GLU A 46 -2.300 -9.811 8.395 1.00 0.00 C ATOM 682 CG GLU A 46 -1.039 -10.391 9.012 1.00 0.00 C ATOM 683 CD GLU A 46 -1.233 -11.796 9.533 1.00 0.00 C ATOM 684 OE1 GLU A 46 -1.918 -11.964 10.562 1.00 0.00 O ATOM 685 OE2 GLU A 46 -0.704 -12.743 8.914 1.00 0.00 O ATOM 0 H GLU A 46 -1.282 -9.901 6.084 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.117 -11.625 7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.088 -8.801 8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.064 -9.727 9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.243 -10.392 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.711 -9.748 9.829 1.00 0.00 H new ATOM 692 N GLY A 47 -4.533 -8.882 7.337 1.00 0.00 N ATOM 693 CA GLY A 47 -5.544 -8.026 6.767 1.00 0.00 C ATOM 694 C GLY A 47 -5.404 -6.618 7.288 1.00 0.00 C ATOM 695 O GLY A 47 -4.654 -5.811 6.740 1.00 0.00 O ATOM 0 H GLY A 47 -4.190 -8.589 8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.459 -8.027 5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.534 -8.412 7.009 1.00 0.00 H new ATOM 699 N MET A 48 -6.064 -6.347 8.394 1.00 0.00 N ATOM 700 CA MET A 48 -6.024 -5.036 9.013 1.00 0.00 C ATOM 701 C MET A 48 -4.597 -4.582 9.389 1.00 0.00 C ATOM 702 O MET A 48 -4.263 -3.411 9.193 1.00 0.00 O ATOM 703 CB MET A 48 -6.965 -5.012 10.225 1.00 0.00 C ATOM 704 CG MET A 48 -6.695 -3.878 11.199 1.00 0.00 C ATOM 705 SD MET A 48 -5.452 -4.313 12.431 1.00 0.00 S ATOM 706 CE MET A 48 -5.009 -2.694 13.038 1.00 0.00 C ATOM 0 H MET A 48 -6.642 -7.026 8.889 1.00 0.00 H new ATOM 0 HA MET A 48 -6.369 -4.312 8.274 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.993 -4.936 9.871 1.00 0.00 H new ATOM 0 HB3 MET A 48 -6.880 -5.960 10.756 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.363 -2.999 10.646 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.623 -3.606 11.703 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.246 -2.791 13.810 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.620 -2.092 12.217 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.890 -2.209 13.458 1.00 0.00 H new ATOM 716 N PRO A 49 -3.703 -5.459 9.903 1.00 0.00 N ATOM 717 CA PRO A 49 -2.364 -5.025 10.265 1.00 0.00 C ATOM 718 C PRO A 49 -1.494 -4.881 9.024 1.00 0.00 C ATOM 719 O PRO A 49 -0.518 -4.131 9.009 1.00 0.00 O ATOM 720 CB PRO A 49 -1.849 -6.122 11.192 1.00 0.00 C ATOM 721 CG PRO A 49 -2.661 -7.337 10.888 1.00 0.00 C ATOM 722 CD PRO A 49 -3.880 -6.908 10.111 1.00 0.00 C ATOM 0 HA PRO A 49 -2.351 -4.048 10.748 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.789 -6.310 11.022 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.958 -5.832 12.237 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.074 -8.051 10.310 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.955 -7.838 11.810 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.951 -7.438 9.161 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.796 -7.120 10.663 1.00 0.00 H new ATOM 730 N LEU A 50 -1.879 -5.607 7.977 1.00 0.00 N ATOM 731 CA LEU A 50 -1.276 -5.455 6.664 1.00 0.00 C ATOM 732 C LEU A 50 -1.463 -4.012 6.203 1.00 0.00 C ATOM 733 O LEU A 50 -0.521 -3.366 5.748 1.00 0.00 O ATOM 734 CB LEU A 50 -1.945 -6.448 5.689 1.00 0.00 C ATOM 735 CG LEU A 50 -1.401 -6.529 4.249 1.00 0.00 C ATOM 736 CD1 LEU A 50 -1.701 -5.270 3.450 1.00 0.00 C ATOM 737 CD2 LEU A 50 0.087 -6.801 4.247 1.00 0.00 C ATOM 0 H LEU A 50 -2.614 -6.313 8.019 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.208 -5.672 6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.877 -7.443 6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.004 -6.197 5.632 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.915 -7.360 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.298 -5.374 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.779 -5.121 3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.240 -4.411 3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.446 -6.853 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.604 -5.998 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.284 -7.748 4.749 1.00 0.00 H new ATOM 749 N ARG A 51 -2.682 -3.504 6.368 1.00 0.00 N ATOM 750 CA ARG A 51 -3.005 -2.156 5.965 1.00 0.00 C ATOM 751 C ARG A 51 -2.264 -1.150 6.834 1.00 0.00 C ATOM 752 O ARG A 51 -1.777 -0.137 6.348 1.00 0.00 O ATOM 753 CB ARG A 51 -4.524 -1.962 6.041 1.00 0.00 C ATOM 754 CG ARG A 51 -5.040 -1.249 7.287 1.00 0.00 C ATOM 755 CD ARG A 51 -6.559 -1.239 7.329 1.00 0.00 C ATOM 756 NE ARG A 51 -7.073 -0.605 8.541 1.00 0.00 N ATOM 757 CZ ARG A 51 -8.335 -0.713 8.960 1.00 0.00 C ATOM 758 NH1 ARG A 51 -9.207 -1.442 8.276 1.00 0.00 N ATOM 759 NH2 ARG A 51 -8.722 -0.096 10.069 1.00 0.00 N ATOM 0 H ARG A 51 -3.460 -4.017 6.782 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.685 -1.989 4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.844 -1.399 5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.000 -2.941 5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.653 -1.743 8.178 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.667 -0.225 7.303 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.942 -0.712 6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.929 -2.263 7.271 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.428 -0.046 9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.914 -1.923 7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.171 -1.522 8.600 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.054 0.461 10.602 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.687 -0.179 10.389 1.00 0.00 H new ATOM 773 N ALA A 52 -2.161 -1.461 8.118 1.00 0.00 N ATOM 774 CA ALA A 52 -1.488 -0.591 9.068 1.00 0.00 C ATOM 775 C ALA A 52 -0.034 -0.342 8.680 1.00 0.00 C ATOM 776 O ALA A 52 0.407 0.808 8.643 1.00 0.00 O ATOM 777 CB ALA A 52 -1.567 -1.182 10.470 1.00 0.00 C ATOM 0 H ALA A 52 -2.538 -2.316 8.527 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.000 0.371 9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.059 -0.521 11.173 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.612 -1.288 10.762 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.086 -2.160 10.480 1.00 0.00 H new ATOM 783 N TRP A 53 0.713 -1.401 8.367 1.00 0.00 N ATOM 784 CA TRP A 53 2.117 -1.227 8.025 1.00 0.00 C ATOM 785 C TRP A 53 2.266 -0.601 6.645 1.00 0.00 C ATOM 786 O TRP A 53 3.152 0.222 6.425 1.00 0.00 O ATOM 787 CB TRP A 53 2.920 -2.536 8.158 1.00 0.00 C ATOM 788 CG TRP A 53 2.757 -3.576 7.076 1.00 0.00 C ATOM 789 CD1 TRP A 53 2.113 -4.769 7.196 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.297 -3.550 5.743 1.00 0.00 C ATOM 791 NE1 TRP A 53 2.219 -5.483 6.030 1.00 0.00 N ATOM 792 CE2 TRP A 53 2.932 -4.756 5.122 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.042 -2.626 5.012 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.292 -5.064 3.812 1.00 0.00 C ATOM 795 CZ3 TRP A 53 4.398 -2.928 3.713 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.024 -4.140 3.124 1.00 0.00 C ATOM 0 H TRP A 53 0.377 -2.364 8.344 1.00 0.00 H new ATOM 0 HA TRP A 53 2.546 -0.536 8.750 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.977 -2.276 8.216 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.653 -2.997 9.109 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.594 -5.105 8.081 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.827 -6.410 5.867 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.337 -1.687 5.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.002 -6.000 3.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 4.975 -2.216 3.142 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.320 -4.349 2.106 1.00 0.00 H new ATOM 807 N VAL A 54 1.392 -0.988 5.728 1.00 0.00 N ATOM 808 CA VAL A 54 1.397 -0.446 4.377 1.00 0.00 C ATOM 809 C VAL A 54 1.148 1.062 4.397 1.00 0.00 C ATOM 810 O VAL A 54 1.913 1.835 3.812 1.00 0.00 O ATOM 811 CB VAL A 54 0.332 -1.155 3.518 1.00 0.00 C ATOM 812 CG1 VAL A 54 -0.127 -0.290 2.352 1.00 0.00 C ATOM 813 CG2 VAL A 54 0.857 -2.485 3.002 1.00 0.00 C ATOM 0 H VAL A 54 0.664 -1.682 5.897 1.00 0.00 H new ATOM 0 HA VAL A 54 2.379 -0.622 3.938 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.530 -1.335 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.877 -0.828 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.558 0.636 2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.725 -0.057 1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.090 -2.969 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.744 -2.314 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.114 -3.127 3.845 1.00 0.00 H new ATOM 823 N ILE A 55 0.090 1.470 5.088 1.00 0.00 N ATOM 824 CA ILE A 55 -0.253 2.879 5.217 1.00 0.00 C ATOM 825 C ILE A 55 0.876 3.650 5.895 1.00 0.00 C ATOM 826 O ILE A 55 1.216 4.759 5.481 1.00 0.00 O ATOM 827 CB ILE A 55 -1.571 3.058 6.004 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.742 2.492 5.200 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.817 4.517 6.340 1.00 0.00 C ATOM 830 CD1 ILE A 55 -4.068 2.536 5.929 1.00 0.00 C ATOM 0 H ILE A 55 -0.549 0.838 5.571 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.395 3.281 4.214 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.484 2.510 6.942 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.833 3.050 4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.520 1.459 4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.751 4.610 6.893 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.995 4.894 6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.881 5.097 5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.847 2.117 5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.998 1.954 6.848 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.315 3.569 6.173 1.00 0.00 H new ATOM 842 N LYS A 56 1.469 3.052 6.923 1.00 0.00 N ATOM 843 CA LYS A 56 2.582 3.674 7.625 1.00 0.00 C ATOM 844 C LYS A 56 3.773 3.868 6.688 1.00 0.00 C ATOM 845 O LYS A 56 4.339 4.959 6.609 1.00 0.00 O ATOM 846 CB LYS A 56 3.012 2.829 8.825 1.00 0.00 C ATOM 847 CG LYS A 56 4.142 3.462 9.619 1.00 0.00 C ATOM 848 CD LYS A 56 4.706 2.515 10.660 1.00 0.00 C ATOM 849 CE LYS A 56 5.848 3.164 11.421 1.00 0.00 C ATOM 850 NZ LYS A 56 6.499 2.225 12.369 1.00 0.00 N ATOM 0 H LYS A 56 1.197 2.139 7.287 1.00 0.00 H new ATOM 0 HA LYS A 56 2.244 4.648 7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.155 2.676 9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.326 1.845 8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.937 3.767 8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.779 4.365 10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.920 2.223 11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.058 1.604 10.176 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.589 3.534 10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.472 4.028 11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.272 2.713 12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.799 1.891 13.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.882 1.413 11.845 1.00 0.00 H new ATOM 864 N CYS A 57 4.140 2.806 5.977 1.00 0.00 N ATOM 865 CA CYS A 57 5.265 2.860 5.051 1.00 0.00 C ATOM 866 C CYS A 57 5.022 3.899 3.964 1.00 0.00 C ATOM 867 O CYS A 57 5.903 4.697 3.667 1.00 0.00 O ATOM 868 CB CYS A 57 5.517 1.488 4.425 1.00 0.00 C ATOM 869 SG CYS A 57 5.962 0.207 5.621 1.00 0.00 S ATOM 0 H CYS A 57 3.675 1.899 6.025 1.00 0.00 H new ATOM 0 HA CYS A 57 6.151 3.152 5.615 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.622 1.175 3.888 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.316 1.577 3.689 1.00 0.00 H new ATOM 0 HG CYS A 57 4.927 -0.083 6.352 1.00 0.00 H new ATOM 875 N ALA A 58 3.817 3.900 3.400 1.00 0.00 N ATOM 876 CA ALA A 58 3.455 4.860 2.361 1.00 0.00 C ATOM 877 C ALA A 58 3.502 6.287 2.899 1.00 0.00 C ATOM 878 O ALA A 58 3.938 7.208 2.209 1.00 0.00 O ATOM 879 CB ALA A 58 2.074 4.546 1.813 1.00 0.00 C ATOM 0 H ALA A 58 3.074 3.246 3.645 1.00 0.00 H new ATOM 0 HA ALA A 58 4.181 4.778 1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.816 5.269 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.071 3.543 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.342 4.600 2.619 1.00 0.00 H new ATOM 885 N HIS A 59 3.055 6.452 4.138 1.00 0.00 N ATOM 886 CA HIS A 59 3.062 7.748 4.809 1.00 0.00 C ATOM 887 C HIS A 59 4.480 8.309 4.862 1.00 0.00 C ATOM 888 O HIS A 59 4.752 9.396 4.343 1.00 0.00 O ATOM 889 CB HIS A 59 2.499 7.586 6.229 1.00 0.00 C ATOM 890 CG HIS A 59 2.246 8.872 6.958 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.787 8.917 8.253 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.354 10.155 6.558 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.615 10.174 8.611 1.00 0.00 C ATOM 894 NE2 HIS A 59 1.958 10.947 7.602 1.00 0.00 N ATOM 0 H HIS A 59 2.678 5.693 4.706 1.00 0.00 H new ATOM 0 HA HIS A 59 2.439 8.447 4.251 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.565 7.027 6.172 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.195 6.985 6.814 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.691 10.496 5.590 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.253 10.513 9.571 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.933 11.967 7.599 1.00 0.00 H new ATOM 903 N GLU A 60 5.380 7.552 5.472 1.00 0.00 N ATOM 904 CA GLU A 60 6.769 7.968 5.602 1.00 0.00 C ATOM 905 C GLU A 60 7.432 8.081 4.234 1.00 0.00 C ATOM 906 O GLU A 60 8.154 9.040 3.965 1.00 0.00 O ATOM 907 CB GLU A 60 7.541 6.986 6.483 1.00 0.00 C ATOM 908 CG GLU A 60 7.077 6.977 7.929 1.00 0.00 C ATOM 909 CD GLU A 60 7.919 6.074 8.806 1.00 0.00 C ATOM 910 OE1 GLU A 60 9.158 6.223 8.800 1.00 0.00 O ATOM 911 OE2 GLU A 60 7.349 5.234 9.527 1.00 0.00 O ATOM 0 H GLU A 60 5.172 6.643 5.886 1.00 0.00 H new ATOM 0 HA GLU A 60 6.785 8.950 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.439 5.982 6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.601 7.237 6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.109 7.993 8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.038 6.652 7.971 1.00 0.00 H new ATOM 918 N ALA A 61 7.154 7.116 3.365 1.00 0.00 N ATOM 919 CA ALA A 61 7.745 7.082 2.032 1.00 0.00 C ATOM 920 C ALA A 61 7.410 8.341 1.249 1.00 0.00 C ATOM 921 O ALA A 61 8.224 8.824 0.462 1.00 0.00 O ATOM 922 CB ALA A 61 7.277 5.853 1.267 1.00 0.00 C ATOM 0 H ALA A 61 6.519 6.342 3.561 1.00 0.00 H new ATOM 0 HA ALA A 61 8.827 7.031 2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.730 5.847 0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.574 4.954 1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.192 5.876 1.170 1.00 0.00 H new ATOM 928 N LEU A 62 6.215 8.874 1.464 1.00 0.00 N ATOM 929 CA LEU A 62 5.801 10.077 0.769 1.00 0.00 C ATOM 930 C LEU A 62 6.456 11.309 1.373 1.00 0.00 C ATOM 931 O LEU A 62 7.006 12.128 0.655 1.00 0.00 O ATOM 932 CB LEU A 62 4.286 10.251 0.810 1.00 0.00 C ATOM 933 CG LEU A 62 3.768 11.433 -0.012 1.00 0.00 C ATOM 934 CD1 LEU A 62 3.534 11.020 -1.452 1.00 0.00 C ATOM 935 CD2 LEU A 62 2.502 12.002 0.593 1.00 0.00 C ATOM 0 H LEU A 62 5.523 8.493 2.109 1.00 0.00 H new ATOM 0 HA LEU A 62 6.119 9.968 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.817 9.337 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.974 10.379 1.847 1.00 0.00 H new ATOM 0 HG LEU A 62 4.529 12.214 0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.166 11.874 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.470 10.671 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.797 10.217 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.155 12.841 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.732 11.231 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.706 12.345 1.607 1.00 0.00 H new ATOM 947 N GLU A 63 6.420 11.432 2.694 1.00 0.00 N ATOM 948 CA GLU A 63 6.906 12.646 3.347 1.00 0.00 C ATOM 949 C GLU A 63 8.420 12.802 3.230 1.00 0.00 C ATOM 950 O GLU A 63 8.933 13.923 3.267 1.00 0.00 O ATOM 951 CB GLU A 63 6.487 12.692 4.815 1.00 0.00 C ATOM 952 CG GLU A 63 4.997 12.898 5.018 1.00 0.00 C ATOM 953 CD GLU A 63 4.662 13.330 6.428 1.00 0.00 C ATOM 954 OE1 GLU A 63 4.751 14.543 6.718 1.00 0.00 O ATOM 955 OE2 GLU A 63 4.317 12.468 7.257 1.00 0.00 O ATOM 0 H GLU A 63 6.065 10.717 3.329 1.00 0.00 H new ATOM 0 HA GLU A 63 6.445 13.483 2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.785 11.762 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.027 13.497 5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.638 13.650 4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.470 11.971 4.790 1.00 0.00 H new ATOM 962 N LYS A 64 9.138 11.694 3.107 1.00 0.00 N ATOM 963 CA LYS A 64 10.590 11.748 2.957 1.00 0.00 C ATOM 964 C LYS A 64 10.966 12.329 1.594 1.00 0.00 C ATOM 965 O LYS A 64 12.010 12.972 1.442 1.00 0.00 O ATOM 966 CB LYS A 64 11.207 10.357 3.131 1.00 0.00 C ATOM 967 CG LYS A 64 11.003 9.764 4.521 1.00 0.00 C ATOM 968 CD LYS A 64 11.778 10.516 5.596 1.00 0.00 C ATOM 969 CE LYS A 64 13.185 9.958 5.790 1.00 0.00 C ATOM 970 NZ LYS A 64 14.010 10.033 4.554 1.00 0.00 N ATOM 0 H LYS A 64 8.745 10.753 3.108 1.00 0.00 H new ATOM 0 HA LYS A 64 10.988 12.399 3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.775 9.683 2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.276 10.415 2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.941 9.778 4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.315 8.720 4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.841 11.570 5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.234 10.461 6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.683 10.509 6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.118 8.919 6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.017 9.953 4.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.749 9.256 3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.842 10.943 4.079 1.00 0.00 H new ATOM 984 N ASN A 65 10.095 12.121 0.619 1.00 0.00 N ATOM 985 CA ASN A 65 10.299 12.624 -0.734 1.00 0.00 C ATOM 986 C ASN A 65 8.948 12.930 -1.386 1.00 0.00 C ATOM 987 O ASN A 65 8.495 12.213 -2.280 1.00 0.00 O ATOM 988 CB ASN A 65 11.101 11.619 -1.579 1.00 0.00 C ATOM 989 CG ASN A 65 10.640 10.176 -1.422 1.00 0.00 C ATOM 990 OD1 ASN A 65 9.600 9.803 -2.147 1.00 0.00 O flip ATOM 991 ND2 ASN A 65 11.205 9.411 -0.639 1.00 0.00 N flip ATOM 0 H ASN A 65 9.227 11.599 0.741 1.00 0.00 H new ATOM 0 HA ASN A 65 10.878 13.546 -0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.027 11.902 -2.629 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.154 11.686 -1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.005 9.736 -0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.873 8.452 -0.533 1.00 0.00 H new ATOM 998 N PRO A 66 8.296 14.026 -0.960 1.00 0.00 N ATOM 999 CA PRO A 66 6.906 14.330 -1.335 1.00 0.00 C ATOM 1000 C PRO A 66 6.773 14.883 -2.754 1.00 0.00 C ATOM 1001 O PRO A 66 6.002 15.808 -3.010 1.00 0.00 O ATOM 1002 CB PRO A 66 6.507 15.372 -0.291 1.00 0.00 C ATOM 1003 CG PRO A 66 7.771 16.102 -0.007 1.00 0.00 C ATOM 1004 CD PRO A 66 8.865 15.070 -0.086 1.00 0.00 C ATOM 0 HA PRO A 66 6.273 13.442 -1.345 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.736 16.042 -0.671 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.107 14.903 0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.933 16.900 -0.731 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.742 16.567 0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.781 15.488 -0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.116 14.676 0.899 1.00 0.00 H new ATOM 1012 N LYS A 67 7.524 14.294 -3.670 1.00 0.00 N ATOM 1013 CA LYS A 67 7.516 14.699 -5.067 1.00 0.00 C ATOM 1014 C LYS A 67 7.414 13.462 -5.954 1.00 0.00 C ATOM 1015 O LYS A 67 7.866 13.460 -7.099 1.00 0.00 O ATOM 1016 CB LYS A 67 8.791 15.478 -5.415 1.00 0.00 C ATOM 1017 CG LYS A 67 9.031 16.710 -4.551 1.00 0.00 C ATOM 1018 CD LYS A 67 7.946 17.756 -4.743 1.00 0.00 C ATOM 1019 CE LYS A 67 8.182 18.972 -3.859 1.00 0.00 C ATOM 1020 NZ LYS A 67 9.445 19.678 -4.199 1.00 0.00 N ATOM 0 H LYS A 67 8.157 13.521 -3.466 1.00 0.00 H new ATOM 0 HA LYS A 67 6.657 15.348 -5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.647 14.810 -5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.741 15.786 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.070 16.416 -3.502 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.001 17.143 -4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.917 18.064 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.974 17.320 -4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.344 19.661 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.212 18.660 -2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.482 20.586 -3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.257 19.092 -3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.481 19.851 -5.224 1.00 0.00 H new ATOM 1034 N ILE A 68 6.832 12.406 -5.410 1.00 0.00 N ATOM 1035 CA ILE A 68 6.716 11.147 -6.129 1.00 0.00 C ATOM 1036 C ILE A 68 5.305 10.921 -6.639 1.00 0.00 C ATOM 1037 O ILE A 68 4.443 11.794 -6.543 1.00 0.00 O ATOM 1038 CB ILE A 68 7.126 9.948 -5.256 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.386 9.972 -3.909 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.633 9.939 -5.070 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.581 8.718 -3.087 1.00 0.00 C ATOM 0 H ILE A 68 6.432 12.395 -4.472 1.00 0.00 H new ATOM 0 HA ILE A 68 7.398 11.220 -6.976 1.00 0.00 H new ATOM 0 HB ILE A 68 6.840 9.025 -5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.728 10.831 -3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.321 10.114 -4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.918 9.088 -4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.119 9.860 -6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.945 10.863 -4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.030 8.807 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.213 7.857 -3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.641 8.585 -2.872 1.00 0.00 H new ATOM 1053 N ARG A 69 5.083 9.733 -7.170 1.00 0.00 N ATOM 1054 CA ARG A 69 3.807 9.383 -7.771 1.00 0.00 C ATOM 1055 C ARG A 69 3.271 8.094 -7.172 1.00 0.00 C ATOM 1056 O ARG A 69 2.086 7.990 -6.864 1.00 0.00 O ATOM 1057 CB ARG A 69 3.963 9.236 -9.289 1.00 0.00 C ATOM 1058 CG ARG A 69 2.702 8.771 -10.010 1.00 0.00 C ATOM 1059 CD ARG A 69 1.496 9.625 -9.653 1.00 0.00 C ATOM 1060 NE ARG A 69 1.747 11.048 -9.866 1.00 0.00 N ATOM 1061 CZ ARG A 69 0.929 12.010 -9.452 1.00 0.00 C ATOM 1062 NH1 ARG A 69 -0.173 11.705 -8.780 1.00 0.00 N ATOM 1063 NH2 ARG A 69 1.221 13.282 -9.686 1.00 0.00 N ATOM 0 H ARG A 69 5.777 8.986 -7.198 1.00 0.00 H new ATOM 0 HA ARG A 69 3.095 10.182 -7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.272 10.195 -9.705 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.766 8.527 -9.493 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.866 8.807 -11.087 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.499 7.731 -9.753 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.642 9.314 -10.254 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.229 9.457 -8.610 1.00 0.00 H new ATOM 0 HE ARG A 69 2.597 11.318 -10.360 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.395 10.730 -8.580 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.799 12.446 -8.464 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.076 13.525 -10.186 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.590 14.017 -9.366 1.00 0.00 H new ATOM 1077 N GLU A 70 4.143 7.112 -7.019 1.00 0.00 N ATOM 1078 CA GLU A 70 3.752 5.829 -6.469 1.00 0.00 C ATOM 1079 C GLU A 70 4.979 5.033 -6.049 1.00 0.00 C ATOM 1080 O GLU A 70 6.070 5.218 -6.593 1.00 0.00 O ATOM 1081 CB GLU A 70 2.924 5.053 -7.495 1.00 0.00 C ATOM 1082 CG GLU A 70 3.659 4.778 -8.799 1.00 0.00 C ATOM 1083 CD GLU A 70 2.807 4.042 -9.813 1.00 0.00 C ATOM 1084 OE1 GLU A 70 2.052 4.707 -10.548 1.00 0.00 O ATOM 1085 OE2 GLU A 70 2.896 2.797 -9.887 1.00 0.00 O ATOM 0 H GLU A 70 5.129 7.181 -7.269 1.00 0.00 H new ATOM 0 HA GLU A 70 3.140 5.995 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.616 4.104 -7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.015 5.614 -7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.991 5.723 -9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.553 4.191 -8.589 1.00 0.00 H new ATOM 1092 N VAL A 71 4.797 4.157 -5.075 1.00 0.00 N ATOM 1093 CA VAL A 71 5.879 3.330 -4.571 1.00 0.00 C ATOM 1094 C VAL A 71 5.512 1.860 -4.698 1.00 0.00 C ATOM 1095 O VAL A 71 4.334 1.503 -4.770 1.00 0.00 O ATOM 1096 CB VAL A 71 6.230 3.653 -3.099 1.00 0.00 C ATOM 1097 CG1 VAL A 71 6.784 5.063 -2.974 1.00 0.00 C ATOM 1098 CG2 VAL A 71 5.021 3.471 -2.193 1.00 0.00 C ATOM 0 H VAL A 71 3.901 4.000 -4.614 1.00 0.00 H new ATOM 0 HA VAL A 71 6.760 3.549 -5.175 1.00 0.00 H new ATOM 0 HB VAL A 71 7.000 2.951 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.024 5.269 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.686 5.154 -3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.040 5.779 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.298 3.705 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.222 4.139 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.676 2.439 -2.250 1.00 0.00 H new ATOM 1108 N TYR A 72 6.519 1.012 -4.734 1.00 0.00 N ATOM 1109 CA TYR A 72 6.303 -0.408 -4.920 1.00 0.00 C ATOM 1110 C TYR A 72 6.632 -1.148 -3.637 1.00 0.00 C ATOM 1111 O TYR A 72 7.775 -1.138 -3.176 1.00 0.00 O ATOM 1112 CB TYR A 72 7.163 -0.917 -6.078 1.00 0.00 C ATOM 1113 CG TYR A 72 6.945 -0.141 -7.357 1.00 0.00 C ATOM 1114 CD1 TYR A 72 5.931 -0.489 -8.235 1.00 0.00 C ATOM 1115 CD2 TYR A 72 7.744 0.951 -7.678 1.00 0.00 C ATOM 1116 CE1 TYR A 72 5.717 0.225 -9.396 1.00 0.00 C ATOM 1117 CE2 TYR A 72 7.535 1.669 -8.838 1.00 0.00 C ATOM 1118 CZ TYR A 72 6.519 1.303 -9.694 1.00 0.00 C ATOM 1119 OH TYR A 72 6.303 2.018 -10.852 1.00 0.00 O ATOM 0 H TYR A 72 7.498 1.282 -4.637 1.00 0.00 H new ATOM 0 HA TYR A 72 5.256 -0.588 -5.165 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.214 -0.857 -5.797 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.940 -1.969 -6.255 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.298 -1.333 -8.007 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.541 1.242 -7.009 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.922 -0.061 -10.069 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.165 2.514 -9.074 1.00 0.00 H new ATOM 0 HH TYR A 72 6.954 2.748 -10.912 1.00 0.00 H new ATOM 1129 N LEU A 73 5.631 -1.785 -3.061 1.00 0.00 N ATOM 1130 CA LEU A 73 5.793 -2.436 -1.771 1.00 0.00 C ATOM 1131 C LEU A 73 5.850 -3.943 -1.921 1.00 0.00 C ATOM 1132 O LEU A 73 5.184 -4.525 -2.773 1.00 0.00 O ATOM 1133 CB LEU A 73 4.648 -2.065 -0.822 1.00 0.00 C ATOM 1134 CG LEU A 73 4.950 -0.938 0.163 1.00 0.00 C ATOM 1135 CD1 LEU A 73 3.761 -0.708 1.083 1.00 0.00 C ATOM 1136 CD2 LEU A 73 6.194 -1.266 0.974 1.00 0.00 C ATOM 0 H LEU A 73 4.697 -1.867 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 73 6.735 -2.086 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.782 -1.780 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.366 -2.953 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 73 5.134 -0.023 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.991 0.098 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.888 -0.437 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.551 -1.621 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.398 -0.454 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.033 -2.190 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.044 -1.389 0.303 1.00 0.00 H new ATOM 1148 N LYS A 74 6.664 -4.561 -1.089 1.00 0.00 N ATOM 1149 CA LYS A 74 6.802 -6.000 -1.079 1.00 0.00 C ATOM 1150 C LYS A 74 6.502 -6.516 0.328 1.00 0.00 C ATOM 1151 O LYS A 74 7.198 -6.166 1.283 1.00 0.00 O ATOM 1152 CB LYS A 74 8.219 -6.385 -1.536 1.00 0.00 C ATOM 1153 CG LYS A 74 8.436 -7.878 -1.767 1.00 0.00 C ATOM 1154 CD LYS A 74 8.628 -8.627 -0.462 1.00 0.00 C ATOM 1155 CE LYS A 74 8.904 -10.095 -0.682 1.00 0.00 C ATOM 1156 NZ LYS A 74 9.158 -10.792 0.605 1.00 0.00 N ATOM 0 H LYS A 74 7.246 -4.080 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 74 6.095 -6.457 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.444 -5.853 -2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.933 -6.040 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.580 -8.291 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.310 -8.024 -2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.455 -8.183 0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.736 -8.515 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.055 -10.556 -1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.767 -10.211 -1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.075 -11.281 0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.174 -10.097 1.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.403 -11.486 0.779 1.00 0.00 H new ATOM 1170 N PRO A 75 5.422 -7.304 0.464 1.00 0.00 N ATOM 1171 CA PRO A 75 5.005 -7.910 1.737 1.00 0.00 C ATOM 1172 C PRO A 75 6.150 -8.558 2.506 1.00 0.00 C ATOM 1173 O PRO A 75 6.994 -9.256 1.938 1.00 0.00 O ATOM 1174 CB PRO A 75 4.003 -8.973 1.298 1.00 0.00 C ATOM 1175 CG PRO A 75 3.402 -8.423 0.057 1.00 0.00 C ATOM 1176 CD PRO A 75 4.492 -7.647 -0.628 1.00 0.00 C ATOM 0 HA PRO A 75 4.606 -7.161 2.421 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.493 -9.929 1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.246 -9.146 2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.032 -9.223 -0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.552 -7.780 0.288 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.982 -8.242 -1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.101 -6.754 -1.115 1.00 0.00 H new ATOM 1184 N ARG A 76 6.130 -8.340 3.816 1.00 0.00 N ATOM 1185 CA ARG A 76 7.173 -8.807 4.724 1.00 0.00 C ATOM 1186 C ARG A 76 7.347 -10.314 4.626 1.00 0.00 C ATOM 1187 O ARG A 76 8.431 -10.840 4.874 1.00 0.00 O ATOM 1188 CB ARG A 76 6.796 -8.450 6.155 1.00 0.00 C ATOM 1189 CG ARG A 76 6.359 -7.005 6.332 1.00 0.00 C ATOM 1190 CD ARG A 76 5.430 -6.855 7.524 1.00 0.00 C ATOM 1191 NE ARG A 76 4.202 -7.632 7.348 1.00 0.00 N ATOM 1192 CZ ARG A 76 3.356 -7.928 8.329 1.00 0.00 C ATOM 1193 NH1 ARG A 76 3.609 -7.544 9.573 1.00 0.00 N ATOM 1194 NH2 ARG A 76 2.252 -8.606 8.057 1.00 0.00 N ATOM 0 H ARG A 76 5.381 -7.829 4.283 1.00 0.00 H new ATOM 0 HA ARG A 76 8.109 -8.324 4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.990 -9.106 6.483 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.649 -8.644 6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.235 -6.371 6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.855 -6.661 5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.942 -7.182 8.429 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.180 -5.803 7.661 1.00 0.00 H new ATOM 0 HE ARG A 76 3.981 -7.968 6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.458 -7.018 9.782 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.955 -7.775 10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.055 -8.898 7.100 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.598 -8.837 8.805 1.00 0.00 H new ATOM 1208 N ALA A 77 6.258 -10.998 4.293 1.00 0.00 N ATOM 1209 CA ALA A 77 6.269 -12.437 4.118 1.00 0.00 C ATOM 1210 C ALA A 77 7.208 -12.844 2.989 1.00 0.00 C ATOM 1211 O ALA A 77 6.848 -12.796 1.806 1.00 0.00 O ATOM 1212 CB ALA A 77 4.864 -12.948 3.846 1.00 0.00 C ATOM 0 H ALA A 77 5.347 -10.567 4.138 1.00 0.00 H new ATOM 0 HA ALA A 77 6.634 -12.887 5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.889 -14.030 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.217 -12.698 4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.477 -12.483 2.939 1.00 0.00 H new ATOM 1218 N VAL A 78 8.419 -13.222 3.364 1.00 0.00 N ATOM 1219 CA VAL A 78 9.405 -13.716 2.412 1.00 0.00 C ATOM 1220 C VAL A 78 8.904 -14.996 1.748 1.00 0.00 C ATOM 1221 O VAL A 78 9.216 -15.273 0.590 1.00 0.00 O ATOM 1222 CB VAL A 78 10.764 -13.985 3.100 1.00 0.00 C ATOM 1223 CG1 VAL A 78 11.797 -14.485 2.100 1.00 0.00 C ATOM 1224 CG2 VAL A 78 11.265 -12.733 3.803 1.00 0.00 C ATOM 0 H VAL A 78 8.747 -13.196 4.330 1.00 0.00 H new ATOM 0 HA VAL A 78 9.549 -12.946 1.654 1.00 0.00 H new ATOM 0 HB VAL A 78 10.613 -14.765 3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.742 -14.665 2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.446 -15.413 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.943 -13.735 1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.222 -12.942 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.391 -11.932 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.542 -12.426 4.558 1.00 0.00 H new ATOM 1234 N LYS A 79 8.090 -15.742 2.485 1.00 0.00 N ATOM 1235 CA LYS A 79 7.550 -17.009 2.011 1.00 0.00 C ATOM 1236 C LYS A 79 6.684 -16.827 0.763 1.00 0.00 C ATOM 1237 O LYS A 79 6.585 -17.734 -0.065 1.00 0.00 O ATOM 1238 CB LYS A 79 6.736 -17.673 3.126 1.00 0.00 C ATOM 1239 CG LYS A 79 6.120 -19.005 2.734 1.00 0.00 C ATOM 1240 CD LYS A 79 5.422 -19.660 3.913 1.00 0.00 C ATOM 1241 CE LYS A 79 4.718 -20.941 3.503 1.00 0.00 C ATOM 1242 NZ LYS A 79 5.650 -21.912 2.869 1.00 0.00 N ATOM 0 H LYS A 79 7.787 -15.486 3.425 1.00 0.00 H new ATOM 0 HA LYS A 79 8.388 -17.650 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.381 -17.824 3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.941 -16.994 3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.406 -18.853 1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.896 -19.669 2.354 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.151 -19.878 4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.697 -18.966 4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.259 -21.399 4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.912 -20.705 2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.173 -22.830 2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.938 -21.557 1.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.491 -22.029 3.469 1.00 0.00 H new ATOM 1256 N ASN A 80 6.063 -15.657 0.619 1.00 0.00 N ATOM 1257 CA ASN A 80 5.178 -15.420 -0.520 1.00 0.00 C ATOM 1258 C ASN A 80 5.976 -15.232 -1.804 1.00 0.00 C ATOM 1259 O ASN A 80 5.593 -15.738 -2.859 1.00 0.00 O ATOM 1260 CB ASN A 80 4.314 -14.185 -0.308 1.00 0.00 C ATOM 1261 CG ASN A 80 3.286 -14.346 0.784 1.00 0.00 C ATOM 1262 OD1 ASN A 80 2.870 -15.454 1.110 1.00 0.00 O ATOM 1263 ND2 ASN A 80 2.851 -13.231 1.340 1.00 0.00 N ATOM 0 H ASN A 80 6.153 -14.872 1.264 1.00 0.00 H new ATOM 0 HA ASN A 80 4.539 -16.299 -0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.958 -13.339 -0.067 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.805 -13.943 -1.241 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.141 -13.269 2.072 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.225 -12.331 1.038 1.00 0.00 H new ATOM 1270 N SER A 81 7.100 -14.518 -1.683 1.00 0.00 N ATOM 1271 CA SER A 81 8.009 -14.257 -2.801 1.00 0.00 C ATOM 1272 C SER A 81 7.357 -13.404 -3.900 1.00 0.00 C ATOM 1273 O SER A 81 7.673 -12.221 -4.045 1.00 0.00 O ATOM 1274 CB SER A 81 8.540 -15.571 -3.381 1.00 0.00 C ATOM 1275 OG SER A 81 9.195 -16.341 -2.385 1.00 0.00 O ATOM 0 H SER A 81 7.405 -14.104 -0.802 1.00 0.00 H new ATOM 0 HA SER A 81 8.845 -13.681 -2.405 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.716 -16.144 -3.805 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.233 -15.359 -4.195 1.00 0.00 H new ATOM 0 HG SER A 81 9.176 -15.857 -1.533 1.00 0.00 H new ATOM 1281 N SER A 82 6.432 -13.994 -4.645 1.00 0.00 N ATOM 1282 CA SER A 82 5.840 -13.346 -5.809 1.00 0.00 C ATOM 1283 C SER A 82 4.567 -12.581 -5.442 1.00 0.00 C ATOM 1284 O SER A 82 3.484 -12.863 -5.958 1.00 0.00 O ATOM 1285 CB SER A 82 5.533 -14.398 -6.875 1.00 0.00 C ATOM 1286 OG SER A 82 6.666 -15.221 -7.116 1.00 0.00 O ATOM 0 H SER A 82 6.072 -14.930 -4.461 1.00 0.00 H new ATOM 0 HA SER A 82 6.556 -12.623 -6.199 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.693 -15.014 -6.553 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.232 -13.907 -7.800 1.00 0.00 H new ATOM 0 HG SER A 82 6.446 -15.888 -7.800 1.00 0.00 H new ATOM 1292 N VAL A 83 4.702 -11.619 -4.546 1.00 0.00 N ATOM 1293 CA VAL A 83 3.583 -10.772 -4.157 1.00 0.00 C ATOM 1294 C VAL A 83 4.058 -9.333 -3.971 1.00 0.00 C ATOM 1295 O VAL A 83 5.118 -9.095 -3.391 1.00 0.00 O ATOM 1296 CB VAL A 83 2.905 -11.280 -2.862 1.00 0.00 C ATOM 1297 CG1 VAL A 83 3.896 -11.328 -1.711 1.00 0.00 C ATOM 1298 CG2 VAL A 83 1.701 -10.422 -2.501 1.00 0.00 C ATOM 0 H VAL A 83 5.578 -11.403 -4.071 1.00 0.00 H new ATOM 0 HA VAL A 83 2.842 -10.810 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 83 2.552 -12.294 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.394 -11.688 -0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.715 -12.002 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.291 -10.329 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.244 -10.802 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.022 -9.392 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.973 -10.457 -3.312 1.00 0.00 H new ATOM 1308 N GLN A 84 3.289 -8.382 -4.483 1.00 0.00 N ATOM 1309 CA GLN A 84 3.646 -6.975 -4.381 1.00 0.00 C ATOM 1310 C GLN A 84 2.422 -6.109 -4.127 1.00 0.00 C ATOM 1311 O GLN A 84 1.285 -6.519 -4.377 1.00 0.00 O ATOM 1312 CB GLN A 84 4.332 -6.492 -5.659 1.00 0.00 C ATOM 1313 CG GLN A 84 5.710 -7.082 -5.892 1.00 0.00 C ATOM 1314 CD GLN A 84 6.346 -6.565 -7.163 1.00 0.00 C ATOM 1315 OE1 GLN A 84 7.049 -5.553 -7.156 1.00 0.00 O ATOM 1316 NE2 GLN A 84 6.091 -7.247 -8.266 1.00 0.00 N ATOM 0 H GLN A 84 2.413 -8.560 -4.974 1.00 0.00 H new ATOM 0 HA GLN A 84 4.332 -6.882 -3.539 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.697 -6.735 -6.511 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.416 -5.406 -5.623 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.353 -6.845 -5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.635 -8.168 -5.941 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.503 -8.080 -8.226 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.482 -6.941 -9.157 1.00 0.00 H new ATOM 1325 N PHE A 85 2.672 -4.914 -3.622 1.00 0.00 N ATOM 1326 CA PHE A 85 1.645 -3.902 -3.479 1.00 0.00 C ATOM 1327 C PHE A 85 2.033 -2.664 -4.267 1.00 0.00 C ATOM 1328 O PHE A 85 3.111 -2.100 -4.070 1.00 0.00 O ATOM 1329 CB PHE A 85 1.427 -3.515 -2.014 1.00 0.00 C ATOM 1330 CG PHE A 85 0.808 -4.591 -1.171 1.00 0.00 C ATOM 1331 CD1 PHE A 85 -0.488 -5.011 -1.410 1.00 0.00 C ATOM 1332 CD2 PHE A 85 1.519 -5.176 -0.137 1.00 0.00 C ATOM 1333 CE1 PHE A 85 -1.066 -5.998 -0.635 1.00 0.00 C ATOM 1334 CE2 PHE A 85 0.947 -6.162 0.642 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.347 -6.574 0.393 1.00 0.00 C ATOM 0 H PHE A 85 3.594 -4.619 -3.300 1.00 0.00 H new ATOM 0 HA PHE A 85 0.715 -4.321 -3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.387 -3.237 -1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.791 -2.630 -1.976 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.055 -4.562 -2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.532 -4.858 0.062 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.078 -6.318 -0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.512 -6.611 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.796 -7.345 1.001 1.00 0.00 H new ATOM 1345 N HIS A 86 1.168 -2.255 -5.167 1.00 0.00 N ATOM 1346 CA HIS A 86 1.372 -1.030 -5.916 1.00 0.00 C ATOM 1347 C HIS A 86 0.698 0.118 -5.187 1.00 0.00 C ATOM 1348 O HIS A 86 -0.516 0.278 -5.260 1.00 0.00 O ATOM 1349 CB HIS A 86 0.796 -1.163 -7.327 1.00 0.00 C ATOM 1350 CG HIS A 86 1.770 -1.648 -8.354 1.00 0.00 C ATOM 1351 ND1 HIS A 86 2.014 -2.979 -8.606 1.00 0.00 N ATOM 1352 CD2 HIS A 86 2.559 -0.961 -9.211 1.00 0.00 C ATOM 1353 CE1 HIS A 86 2.907 -3.091 -9.567 1.00 0.00 C ATOM 1354 NE2 HIS A 86 3.255 -1.880 -9.956 1.00 0.00 N ATOM 0 H HIS A 86 0.310 -2.755 -5.401 1.00 0.00 H new ATOM 0 HA HIS A 86 2.441 -0.835 -5.999 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.051 -1.848 -7.296 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.410 -0.193 -7.641 1.00 0.00 H new ATOM 0 HD1 HIS A 86 1.571 -3.760 -8.122 1.00 0.00 H new ATOM 0 HD2 HIS A 86 2.629 0.114 -9.294 1.00 0.00 H new ATOM 0 HE1 HIS A 86 3.290 -4.018 -9.969 1.00 0.00 H new ATOM 1363 N VAL A 87 1.483 0.912 -4.485 1.00 0.00 N ATOM 1364 CA VAL A 87 0.933 2.021 -3.730 1.00 0.00 C ATOM 1365 C VAL A 87 1.004 3.287 -4.560 1.00 0.00 C ATOM 1366 O VAL A 87 2.083 3.806 -4.825 1.00 0.00 O ATOM 1367 CB VAL A 87 1.683 2.227 -2.400 1.00 0.00 C ATOM 1368 CG1 VAL A 87 1.119 3.414 -1.641 1.00 0.00 C ATOM 1369 CG2 VAL A 87 1.619 0.967 -1.551 1.00 0.00 C ATOM 0 H VAL A 87 2.496 0.811 -4.422 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.106 1.789 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 87 2.728 2.436 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.664 3.540 -0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.223 4.315 -2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.065 3.241 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.154 1.131 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.578 0.726 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.079 0.140 -2.092 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.152 3.781 -4.953 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.233 4.909 -5.859 1.00 0.00 C ATOM 1381 C ILE A 88 -0.772 6.133 -5.143 1.00 0.00 C ATOM 1382 O ILE A 88 -1.710 6.036 -4.350 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.127 4.567 -7.065 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.570 3.341 -7.794 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.236 5.752 -8.011 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -1.479 2.811 -8.881 1.00 0.00 C ATOM 0 H ILE A 88 -1.057 3.415 -4.656 1.00 0.00 H new ATOM 0 HA ILE A 88 0.772 5.130 -6.218 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.129 4.336 -6.703 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.394 3.598 -8.233 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.388 2.549 -7.067 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.872 5.486 -8.855 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.670 6.601 -7.482 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.244 6.020 -8.375 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.016 1.943 -9.351 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.436 2.521 -8.446 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.641 3.586 -9.630 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.176 7.278 -5.421 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.569 8.513 -4.778 1.00 0.00 C ATOM 1400 C PHE A 89 -1.401 9.375 -5.719 1.00 0.00 C ATOM 1401 O PHE A 89 -0.896 9.895 -6.717 1.00 0.00 O ATOM 1402 CB PHE A 89 0.663 9.266 -4.307 1.00 0.00 C ATOM 1403 CG PHE A 89 1.336 8.541 -3.195 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.748 8.500 -1.944 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.522 7.860 -3.403 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.333 7.802 -0.917 1.00 0.00 C ATOM 1407 CE2 PHE A 89 3.109 7.151 -2.378 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.511 7.126 -1.134 1.00 0.00 C ATOM 0 H PHE A 89 0.586 7.376 -6.092 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.187 8.274 -3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.357 9.391 -5.138 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.379 10.265 -3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.181 9.023 -1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.991 7.884 -4.376 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.870 7.784 0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.033 6.617 -2.547 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.970 6.573 -0.328 1.00 0.00 H new ATOM 1418 N ASP A 90 -2.680 9.502 -5.411 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.587 10.312 -6.210 1.00 0.00 C ATOM 1420 C ASP A 90 -3.778 11.671 -5.551 1.00 0.00 C ATOM 1421 O ASP A 90 -4.006 11.752 -4.343 1.00 0.00 O ATOM 1422 CB ASP A 90 -4.950 9.617 -6.359 1.00 0.00 C ATOM 1423 CG ASP A 90 -4.860 8.258 -7.033 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -4.620 7.256 -6.333 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -5.049 8.182 -8.270 1.00 0.00 O ATOM 0 H ASP A 90 -3.118 9.051 -4.607 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.152 10.442 -7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.399 9.497 -5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.616 10.258 -6.937 1.00 0.00 H new ATOM 1430 N GLU A 91 -3.668 12.742 -6.324 1.00 0.00 N ATOM 1431 CA GLU A 91 -3.861 14.074 -5.774 1.00 0.00 C ATOM 1432 C GLU A 91 -5.297 14.539 -5.974 1.00 0.00 C ATOM 1433 O GLU A 91 -5.797 14.603 -7.097 1.00 0.00 O ATOM 1434 CB GLU A 91 -2.886 15.093 -6.382 1.00 0.00 C ATOM 1435 CG GLU A 91 -2.987 15.255 -7.890 1.00 0.00 C ATOM 1436 CD GLU A 91 -2.153 14.249 -8.642 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -2.632 13.123 -8.875 1.00 0.00 O ATOM 1438 OE2 GLU A 91 -1.006 14.584 -9.005 1.00 0.00 O ATOM 0 H GLU A 91 -3.449 12.716 -7.320 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.654 14.012 -4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.059 16.063 -5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.868 14.795 -6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.029 15.155 -8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.670 16.261 -8.165 1.00 0.00 H new ATOM 1445 N GLU A 92 -5.965 14.834 -4.873 1.00 0.00 N ATOM 1446 CA GLU A 92 -7.308 15.381 -4.918 1.00 0.00 C ATOM 1447 C GLU A 92 -7.374 16.616 -4.030 1.00 0.00 C ATOM 1448 O GLU A 92 -7.125 17.728 -4.535 1.00 0.00 O ATOM 1449 CB GLU A 92 -8.334 14.342 -4.455 1.00 0.00 C ATOM 1450 CG GLU A 92 -8.217 13.001 -5.158 1.00 0.00 C ATOM 1451 CD GLU A 92 -9.264 12.010 -4.692 1.00 0.00 C ATOM 1452 OE1 GLU A 92 -9.485 11.900 -3.468 1.00 0.00 O ATOM 1453 OE2 GLU A 92 -9.883 11.346 -5.553 1.00 0.00 O ATOM 1454 OXT GLU A 92 -7.633 16.464 -2.820 1.00 0.00 O ATOM 0 H GLU A 92 -5.596 14.703 -3.931 1.00 0.00 H new ATOM 0 HA GLU A 92 -7.546 15.655 -5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.221 14.189 -3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.336 14.739 -4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.314 13.148 -6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -7.224 12.587 -4.981 1.00 0.00 H new TER 1461 GLU A 92