USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 ASN : amide:sc= -0.397 K(o=-1.6,f=-6.8!) USER MOD Set 1.2: A 76 ASN : amide:sc= 0.0392 X(o=-1.6,f=-2) USER MOD Set 1.3: A 77 ASN : amide:sc= -1.29 K(o=-1.6,f=-8.1!) USER MOD Set 2.1: A 52 THR OG1 : rot -27:sc= 0.875 USER MOD Set 2.2: A 54 MET CE :methyl -167:sc= -0.0133 (180deg=-0.242) USER MOD Set 2.3: A 55 CYS SG : rot 172:sc= 1.98 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -149:sc= -0.216 (180deg=-1.51!) USER MOD Single : A 17 ASN : amide:sc= 0.0109 X(o=0.011,f=0) USER MOD Single : A 29 SER OG : rot 103:sc= 1.15 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.18) USER MOD Single : A 42 ASN : amide:sc= -1.7 K(o=-1.7,f=-2.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -157:sc= -0.713 (180deg=-1.1) USER MOD Single : A 49 THR OG1 : rot 107:sc= 0.136 USER MOD Single : A 50 MET CE :methyl 141:sc= -0.0898 (180deg=-2.73!) USER MOD Single : A 51 THR OG1 : rot 70:sc= 0.789 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 154:sc= 1.24 (180deg=1.09) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 77:sc= 0.156 USER MOD Single : A 89 THR OG1 : rot -130:sc= -0.36 USER MOD Single : A 93 MET CE :methyl -174:sc=-0.00886 (180deg=-0.0778) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N LYS A 5 17.903 0.671 -9.126 1.00 0.00 N ATOM 52 CA LYS A 5 17.208 1.654 -8.300 1.00 0.00 C ATOM 53 C LYS A 5 15.673 1.578 -8.421 1.00 0.00 C ATOM 54 O LYS A 5 15.101 1.719 -9.496 1.00 0.00 O ATOM 55 CB LYS A 5 17.829 3.034 -8.544 1.00 0.00 C ATOM 56 CG LYS A 5 16.839 4.186 -8.363 1.00 0.00 C ATOM 57 CD LYS A 5 17.589 5.518 -8.259 1.00 0.00 C ATOM 58 CE LYS A 5 16.635 6.677 -7.962 1.00 0.00 C ATOM 59 NZ LYS A 5 17.359 7.965 -7.877 1.00 0.00 N ATOM 0 HA LYS A 5 17.358 1.421 -7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.666 3.173 -7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 5 18.234 3.068 -9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.146 4.215 -9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.243 4.025 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.340 5.453 -7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.120 5.712 -9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.877 6.735 -8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.113 6.489 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.684 8.730 -7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.066 7.916 -7.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.837 8.155 -8.781 1.00 0.00 H new ATOM 73 N VAL A 6 15.000 1.347 -7.294 1.00 0.00 N ATOM 74 CA VAL A 6 13.545 1.458 -7.155 1.00 0.00 C ATOM 75 C VAL A 6 13.200 2.782 -6.464 1.00 0.00 C ATOM 76 O VAL A 6 14.004 3.292 -5.685 1.00 0.00 O ATOM 77 CB VAL A 6 13.010 0.206 -6.426 1.00 0.00 C ATOM 78 CG1 VAL A 6 11.532 0.300 -6.021 1.00 0.00 C ATOM 79 CG2 VAL A 6 13.178 -1.010 -7.337 1.00 0.00 C ATOM 0 H VAL A 6 15.463 1.070 -6.428 1.00 0.00 H new ATOM 0 HA VAL A 6 13.051 1.485 -8.126 1.00 0.00 H new ATOM 0 HB VAL A 6 13.589 0.119 -5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.234 -0.618 -5.515 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.392 1.146 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.919 0.439 -6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.803 -1.899 -6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.618 -0.854 -8.259 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.234 -1.145 -7.573 1.00 0.00 H new ATOM 89 N THR A 7 12.017 3.346 -6.715 1.00 0.00 N ATOM 90 CA THR A 7 11.584 4.649 -6.200 1.00 0.00 C ATOM 91 C THR A 7 10.138 4.585 -5.733 1.00 0.00 C ATOM 92 O THR A 7 9.388 3.676 -6.093 1.00 0.00 O ATOM 93 CB THR A 7 11.760 5.707 -7.295 1.00 0.00 C ATOM 94 OG1 THR A 7 11.037 5.328 -8.448 1.00 0.00 O ATOM 95 CG2 THR A 7 13.220 5.863 -7.692 1.00 0.00 C ATOM 0 H THR A 7 11.312 2.896 -7.299 1.00 0.00 H new ATOM 0 HA THR A 7 12.197 4.921 -5.341 1.00 0.00 H new ATOM 0 HB THR A 7 11.392 6.652 -6.895 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.151 6.008 -9.144 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.306 6.621 -8.470 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.803 6.167 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.598 4.912 -8.068 1.00 0.00 H new ATOM 103 N LYS A 8 9.736 5.545 -4.899 1.00 0.00 N ATOM 104 CA LYS A 8 8.465 5.503 -4.206 1.00 0.00 C ATOM 105 C LYS A 8 7.305 5.572 -5.178 1.00 0.00 C ATOM 106 O LYS A 8 6.255 4.982 -4.935 1.00 0.00 O ATOM 107 CB LYS A 8 8.428 6.606 -3.142 1.00 0.00 C ATOM 108 CG LYS A 8 8.886 8.012 -3.571 1.00 0.00 C ATOM 109 CD LYS A 8 8.928 8.995 -2.393 1.00 0.00 C ATOM 110 CE LYS A 8 7.618 9.137 -1.612 1.00 0.00 C ATOM 111 NZ LYS A 8 6.594 9.947 -2.302 1.00 0.00 N ATOM 0 H LYS A 8 10.292 6.374 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 8 8.359 4.547 -3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.406 6.682 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.050 6.289 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.876 7.947 -4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.211 8.394 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.710 8.677 -1.704 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.215 9.976 -2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.212 8.144 -1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.831 9.588 -0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.738 9.998 -1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.961 10.907 -2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.361 9.507 -3.215 1.00 0.00 H new ATOM 125 N GLU A 9 7.511 6.246 -6.294 1.00 0.00 N ATOM 126 CA GLU A 9 6.506 6.404 -7.331 1.00 0.00 C ATOM 127 C GLU A 9 6.280 5.080 -8.076 1.00 0.00 C ATOM 128 O GLU A 9 5.152 4.748 -8.445 1.00 0.00 O ATOM 129 CB GLU A 9 7.054 7.486 -8.245 1.00 0.00 C ATOM 130 CG GLU A 9 6.083 8.018 -9.295 1.00 0.00 C ATOM 131 CD GLU A 9 6.763 9.133 -10.089 1.00 0.00 C ATOM 132 OE1 GLU A 9 7.973 9.018 -10.392 1.00 0.00 O ATOM 133 OE2 GLU A 9 6.109 10.151 -10.407 1.00 0.00 O ATOM 0 H GLU A 9 8.395 6.707 -6.510 1.00 0.00 H new ATOM 0 HA GLU A 9 5.532 6.682 -6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.388 8.321 -7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.934 7.094 -8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.776 7.214 -9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.180 8.396 -8.815 1.00 0.00 H new ATOM 141 N ASP A 10 7.347 4.305 -8.279 1.00 0.00 N ATOM 142 CA ASP A 10 7.296 3.012 -8.964 1.00 0.00 C ATOM 143 C ASP A 10 6.694 1.984 -8.008 1.00 0.00 C ATOM 144 O ASP A 10 5.863 1.166 -8.402 1.00 0.00 O ATOM 145 CB ASP A 10 8.698 2.585 -9.418 1.00 0.00 C ATOM 146 CG ASP A 10 9.116 3.201 -10.760 1.00 0.00 C ATOM 147 OD1 ASP A 10 9.256 4.443 -10.879 1.00 0.00 O ATOM 148 OD2 ASP A 10 9.394 2.434 -11.706 1.00 0.00 O ATOM 0 H ASP A 10 8.284 4.561 -7.968 1.00 0.00 H new ATOM 0 HA ASP A 10 6.675 3.088 -9.857 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.422 2.870 -8.654 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.731 1.499 -9.499 1.00 0.00 H new ATOM 154 N VAL A 11 7.041 2.067 -6.720 1.00 0.00 N ATOM 155 CA VAL A 11 6.374 1.310 -5.652 1.00 0.00 C ATOM 156 C VAL A 11 4.874 1.622 -5.583 1.00 0.00 C ATOM 157 O VAL A 11 4.083 0.721 -5.304 1.00 0.00 O ATOM 158 CB VAL A 11 7.112 1.532 -4.311 1.00 0.00 C ATOM 159 CG1 VAL A 11 6.428 0.870 -3.103 1.00 0.00 C ATOM 160 CG2 VAL A 11 8.536 0.965 -4.399 1.00 0.00 C ATOM 0 H VAL A 11 7.797 2.664 -6.385 1.00 0.00 H new ATOM 0 HA VAL A 11 6.432 0.246 -5.880 1.00 0.00 H new ATOM 0 HB VAL A 11 7.106 2.610 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.007 1.072 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.423 1.275 -2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.369 -0.207 -3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.050 1.125 -3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.490 -0.103 -4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.080 1.470 -5.197 1.00 0.00 H new ATOM 170 N LEU A 12 4.445 2.848 -5.879 1.00 0.00 N ATOM 171 CA LEU A 12 3.036 3.209 -5.820 1.00 0.00 C ATOM 172 C LEU A 12 2.326 2.566 -6.985 1.00 0.00 C ATOM 173 O LEU A 12 1.331 1.879 -6.791 1.00 0.00 O ATOM 174 CB LEU A 12 2.871 4.732 -5.845 1.00 0.00 C ATOM 175 CG LEU A 12 2.986 5.288 -4.423 1.00 0.00 C ATOM 176 CD1 LEU A 12 3.369 6.768 -4.449 1.00 0.00 C ATOM 177 CD2 LEU A 12 1.668 5.133 -3.651 1.00 0.00 C ATOM 0 H LEU A 12 5.060 3.610 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 12 2.599 2.850 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.633 5.179 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.903 4.995 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 12 3.764 4.714 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.445 7.142 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.329 6.887 -4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.606 7.332 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.785 5.538 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.877 5.674 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.405 4.077 -3.588 1.00 0.00 H new ATOM 189 N ASN A 13 2.873 2.714 -8.187 1.00 0.00 N ATOM 190 CA ASN A 13 2.387 2.067 -9.385 1.00 0.00 C ATOM 191 C ASN A 13 2.336 0.541 -9.211 1.00 0.00 C ATOM 192 O ASN A 13 1.425 -0.121 -9.704 1.00 0.00 O ATOM 193 CB ASN A 13 3.370 2.455 -10.493 1.00 0.00 C ATOM 194 CG ASN A 13 2.984 3.744 -11.195 1.00 0.00 C ATOM 195 OD1 ASN A 13 2.209 3.756 -12.146 1.00 0.00 O ATOM 196 ND2 ASN A 13 3.473 4.869 -10.708 1.00 0.00 N ATOM 0 H ASN A 13 3.688 3.305 -8.352 1.00 0.00 H new ATOM 0 HA ASN A 13 1.370 2.381 -9.620 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.367 2.563 -10.067 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.422 1.649 -11.225 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.207 5.762 -11.123 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.116 4.845 -9.917 1.00 0.00 H new ATOM 203 N ALA A 14 3.273 -0.040 -8.462 1.00 0.00 N ATOM 204 CA ALA A 14 3.317 -1.470 -8.231 1.00 0.00 C ATOM 205 C ALA A 14 2.150 -1.865 -7.340 1.00 0.00 C ATOM 206 O ALA A 14 1.502 -2.886 -7.576 1.00 0.00 O ATOM 207 CB ALA A 14 4.650 -1.856 -7.582 1.00 0.00 C ATOM 0 H ALA A 14 4.022 0.476 -8.000 1.00 0.00 H new ATOM 0 HA ALA A 14 3.236 -2.000 -9.180 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.674 -2.932 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.471 -1.574 -8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.755 -1.336 -6.630 1.00 0.00 H new ATOM 213 N LEU A 15 1.881 -1.049 -6.321 1.00 0.00 N ATOM 214 CA LEU A 15 0.803 -1.255 -5.372 1.00 0.00 C ATOM 215 C LEU A 15 -0.571 -0.946 -5.962 1.00 0.00 C ATOM 216 O LEU A 15 -1.561 -1.539 -5.537 1.00 0.00 O ATOM 217 CB LEU A 15 1.059 -0.426 -4.114 1.00 0.00 C ATOM 218 CG LEU A 15 2.151 -1.057 -3.228 1.00 0.00 C ATOM 219 CD1 LEU A 15 2.577 -0.022 -2.196 1.00 0.00 C ATOM 220 CD2 LEU A 15 1.623 -2.317 -2.523 1.00 0.00 C ATOM 0 H LEU A 15 2.425 -0.207 -6.134 1.00 0.00 H new ATOM 0 HA LEU A 15 0.790 -2.314 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.359 0.583 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.135 -0.336 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 15 2.999 -1.353 -3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.351 -0.444 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.968 0.859 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.717 0.261 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.411 -2.745 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.772 -2.053 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.311 -3.048 -3.269 1.00 0.00 H new ATOM 232 N LYS A 16 -0.648 -0.126 -7.011 1.00 0.00 N ATOM 233 CA LYS A 16 -1.838 0.121 -7.830 1.00 0.00 C ATOM 234 C LYS A 16 -2.275 -1.118 -8.631 1.00 0.00 C ATOM 235 O LYS A 16 -2.907 -0.976 -9.676 1.00 0.00 O ATOM 236 CB LYS A 16 -1.574 1.338 -8.738 1.00 0.00 C ATOM 237 CG LYS A 16 -1.689 2.646 -7.954 1.00 0.00 C ATOM 238 CD LYS A 16 -1.465 3.928 -8.757 1.00 0.00 C ATOM 239 CE LYS A 16 -2.683 4.388 -9.564 1.00 0.00 C ATOM 240 NZ LYS A 16 -2.979 3.524 -10.726 1.00 0.00 N ATOM 0 H LYS A 16 0.158 0.412 -7.329 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.676 0.342 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.579 1.259 -9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.286 1.341 -9.563 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.681 2.691 -7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.968 2.622 -7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.175 4.725 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.629 3.774 -9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.554 4.414 -8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.515 5.407 -9.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.404 4.095 -11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.098 3.092 -11.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.643 2.776 -10.442 1.00 0.00 H new ATOM 254 N ASN A 17 -1.924 -2.324 -8.184 1.00 0.00 N ATOM 255 CA ASN A 17 -2.328 -3.603 -8.755 1.00 0.00 C ATOM 256 C ASN A 17 -2.804 -4.540 -7.635 1.00 0.00 C ATOM 257 O ASN A 17 -3.039 -5.726 -7.864 1.00 0.00 O ATOM 258 CB ASN A 17 -1.162 -4.225 -9.535 1.00 0.00 C ATOM 259 CG ASN A 17 -0.901 -3.510 -10.851 1.00 0.00 C ATOM 260 OD1 ASN A 17 -1.496 -3.845 -11.871 1.00 0.00 O ATOM 261 ND2 ASN A 17 -0.045 -2.501 -10.870 1.00 0.00 N ATOM 0 H ASN A 17 -1.318 -2.438 -7.371 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.153 -3.446 -9.450 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.261 -4.194 -8.923 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.378 -5.275 -9.731 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.126 -1.993 -11.738 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.444 -2.231 -10.017 1.00 0.00 H new ATOM 268 N VAL A 18 -2.904 -4.060 -6.393 1.00 0.00 N ATOM 269 CA VAL A 18 -3.022 -4.882 -5.198 1.00 0.00 C ATOM 270 C VAL A 18 -4.427 -4.654 -4.656 1.00 0.00 C ATOM 271 O VAL A 18 -4.633 -3.866 -3.733 1.00 0.00 O ATOM 272 CB VAL A 18 -1.854 -4.529 -4.252 1.00 0.00 C ATOM 273 CG1 VAL A 18 -1.750 -5.425 -3.024 1.00 0.00 C ATOM 274 CG2 VAL A 18 -0.521 -4.752 -4.973 1.00 0.00 C ATOM 0 H VAL A 18 -2.905 -3.060 -6.191 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.925 -5.955 -5.366 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.049 -3.499 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.904 -5.109 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.667 -5.350 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.604 -6.458 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.301 -4.502 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.440 -5.797 -5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.475 -4.116 -5.857 1.00 0.00 H new ATOM 284 N ILE A 19 -5.412 -5.285 -5.300 1.00 0.00 N ATOM 285 CA ILE A 19 -6.816 -5.150 -4.941 1.00 0.00 C ATOM 286 C ILE A 19 -7.118 -6.136 -3.827 1.00 0.00 C ATOM 287 O ILE A 19 -6.901 -7.344 -3.954 1.00 0.00 O ATOM 288 CB ILE A 19 -7.729 -5.354 -6.166 1.00 0.00 C ATOM 289 CG1 ILE A 19 -7.404 -4.259 -7.212 1.00 0.00 C ATOM 290 CG2 ILE A 19 -9.223 -5.443 -5.808 1.00 0.00 C ATOM 291 CD1 ILE A 19 -8.549 -3.411 -7.771 1.00 0.00 C ATOM 0 H ILE A 19 -5.251 -5.908 -6.091 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.016 -4.139 -4.586 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.519 -6.329 -6.605 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.678 -3.580 -6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.910 -4.743 -8.054 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.807 -5.586 -6.717 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.386 -6.285 -5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.535 -4.521 -5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.153 -2.693 -8.489 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.273 -4.058 -8.266 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.038 -2.877 -6.956 1.00 0.00 H new ATOM 303 N ASP A 20 -7.689 -5.581 -2.773 1.00 0.00 N ATOM 304 CA ASP A 20 -8.438 -6.285 -1.750 1.00 0.00 C ATOM 305 C ASP A 20 -9.675 -6.844 -2.452 1.00 0.00 C ATOM 306 O ASP A 20 -10.522 -6.069 -2.898 1.00 0.00 O ATOM 307 CB ASP A 20 -8.777 -5.283 -0.634 1.00 0.00 C ATOM 308 CG ASP A 20 -9.670 -5.832 0.481 1.00 0.00 C ATOM 309 OD1 ASP A 20 -10.515 -6.719 0.229 1.00 0.00 O ATOM 310 OD2 ASP A 20 -9.545 -5.330 1.618 1.00 0.00 O ATOM 0 H ASP A 20 -7.640 -4.577 -2.600 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.892 -7.105 -1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.847 -4.927 -0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.269 -4.419 -1.080 1.00 0.00 H new ATOM 316 N PHE A 21 -9.736 -8.165 -2.639 1.00 0.00 N ATOM 317 CA PHE A 21 -10.764 -8.866 -3.411 1.00 0.00 C ATOM 318 C PHE A 21 -12.168 -8.576 -2.884 1.00 0.00 C ATOM 319 O PHE A 21 -13.140 -8.666 -3.633 1.00 0.00 O ATOM 320 CB PHE A 21 -10.480 -10.373 -3.309 1.00 0.00 C ATOM 321 CG PHE A 21 -10.905 -11.275 -4.456 1.00 0.00 C ATOM 322 CD1 PHE A 21 -10.349 -11.104 -5.734 1.00 0.00 C ATOM 323 CD2 PHE A 21 -11.701 -12.407 -4.204 1.00 0.00 C ATOM 324 CE1 PHE A 21 -10.520 -12.088 -6.723 1.00 0.00 C ATOM 325 CE2 PHE A 21 -11.893 -13.383 -5.196 1.00 0.00 C ATOM 326 CZ PHE A 21 -11.279 -13.238 -6.448 1.00 0.00 C ATOM 0 H PHE A 21 -9.044 -8.800 -2.241 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.728 -8.522 -4.445 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.406 -10.498 -3.170 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.963 -10.740 -2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.786 -10.210 -5.959 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.169 -12.527 -3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -10.068 -11.960 -7.695 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -12.513 -14.244 -4.994 1.00 0.00 H new ATOM 0 HZ PHE A 21 -11.389 -14.007 -7.198 1.00 0.00 H new ATOM 336 N GLU A 22 -12.299 -8.263 -1.593 1.00 0.00 N ATOM 337 CA GLU A 22 -13.538 -7.923 -0.943 1.00 0.00 C ATOM 338 C GLU A 22 -13.910 -6.463 -1.231 1.00 0.00 C ATOM 339 O GLU A 22 -15.038 -6.183 -1.639 1.00 0.00 O ATOM 340 CB GLU A 22 -13.277 -8.165 0.545 1.00 0.00 C ATOM 341 CG GLU A 22 -14.503 -8.588 1.323 1.00 0.00 C ATOM 342 CD GLU A 22 -14.993 -9.975 0.913 1.00 0.00 C ATOM 343 OE1 GLU A 22 -15.901 -10.065 0.056 1.00 0.00 O ATOM 344 OE2 GLU A 22 -14.479 -10.993 1.433 1.00 0.00 O ATOM 0 H GLU A 22 -11.502 -8.243 -0.957 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.379 -8.518 -1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.510 -8.933 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.876 -7.253 0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.274 -8.585 2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.300 -7.861 1.166 1.00 0.00 H new ATOM 352 N LEU A 23 -12.966 -5.535 -1.036 1.00 0.00 N ATOM 353 CA LEU A 23 -13.176 -4.092 -1.185 1.00 0.00 C ATOM 354 C LEU A 23 -13.322 -3.687 -2.657 1.00 0.00 C ATOM 355 O LEU A 23 -13.965 -2.685 -2.975 1.00 0.00 O ATOM 356 CB LEU A 23 -11.995 -3.323 -0.546 1.00 0.00 C ATOM 357 CG LEU A 23 -12.362 -2.163 0.396 1.00 0.00 C ATOM 358 CD1 LEU A 23 -13.260 -1.112 -0.261 1.00 0.00 C ATOM 359 CD2 LEU A 23 -12.961 -2.693 1.704 1.00 0.00 C ATOM 0 H LEU A 23 -12.012 -5.773 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.105 -3.836 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.385 -4.035 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.371 -2.928 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.433 -1.644 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.481 -0.322 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.749 -0.685 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.190 -1.579 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -13.213 -1.855 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -13.862 -3.267 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -12.235 -3.334 2.203 1.00 0.00 H new ATOM 371 N GLY A 24 -12.703 -4.437 -3.568 1.00 0.00 N ATOM 372 CA GLY A 24 -12.734 -4.208 -5.005 1.00 0.00 C ATOM 373 C GLY A 24 -11.886 -3.015 -5.461 1.00 0.00 C ATOM 374 O GLY A 24 -11.909 -2.686 -6.651 1.00 0.00 O ATOM 0 H GLY A 24 -12.145 -5.252 -3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.384 -5.106 -5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.766 -4.048 -5.316 1.00 0.00 H new ATOM 378 N LEU A 25 -11.135 -2.364 -4.563 1.00 0.00 N ATOM 379 CA LEU A 25 -10.212 -1.273 -4.869 1.00 0.00 C ATOM 380 C LEU A 25 -8.827 -1.649 -4.361 1.00 0.00 C ATOM 381 O LEU A 25 -8.672 -2.496 -3.479 1.00 0.00 O ATOM 382 CB LEU A 25 -10.662 0.065 -4.241 1.00 0.00 C ATOM 383 CG LEU A 25 -11.667 0.921 -5.037 1.00 0.00 C ATOM 384 CD1 LEU A 25 -11.156 1.312 -6.430 1.00 0.00 C ATOM 385 CD2 LEU A 25 -13.046 0.272 -5.167 1.00 0.00 C ATOM 0 H LEU A 25 -11.157 -2.594 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.197 -1.128 -5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.101 -0.151 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.772 0.669 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.771 1.828 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.910 1.913 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.237 1.890 -6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.958 0.411 -7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.704 0.927 -5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.951 -0.684 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.467 0.110 -4.175 1.00 0.00 H new ATOM 397 N ASP A 26 -7.820 -0.987 -4.922 1.00 0.00 N ATOM 398 CA ASP A 26 -6.425 -1.110 -4.534 1.00 0.00 C ATOM 399 C ASP A 26 -6.091 -0.132 -3.400 1.00 0.00 C ATOM 400 O ASP A 26 -6.784 0.868 -3.204 1.00 0.00 O ATOM 401 CB ASP A 26 -5.542 -0.870 -5.769 1.00 0.00 C ATOM 402 CG ASP A 26 -5.346 0.618 -6.050 1.00 0.00 C ATOM 403 OD1 ASP A 26 -6.182 1.206 -6.777 1.00 0.00 O ATOM 404 OD2 ASP A 26 -4.404 1.199 -5.478 1.00 0.00 O ATOM 0 H ASP A 26 -7.962 -0.327 -5.687 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.233 -2.114 -4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.571 -1.342 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.996 -1.347 -6.638 1.00 0.00 H new ATOM 410 N VAL A 27 -5.022 -0.402 -2.651 1.00 0.00 N ATOM 411 CA VAL A 27 -4.597 0.353 -1.483 1.00 0.00 C ATOM 412 C VAL A 27 -4.307 1.833 -1.751 1.00 0.00 C ATOM 413 O VAL A 27 -4.579 2.674 -0.888 1.00 0.00 O ATOM 414 CB VAL A 27 -3.368 -0.346 -0.869 1.00 0.00 C ATOM 415 CG1 VAL A 27 -3.741 -1.750 -0.382 1.00 0.00 C ATOM 416 CG2 VAL A 27 -2.160 -0.471 -1.816 1.00 0.00 C ATOM 0 H VAL A 27 -4.405 -1.188 -2.855 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.434 0.361 -0.784 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.064 0.299 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.863 -2.231 0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.523 -1.677 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.103 -2.342 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.343 -0.975 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.445 -1.049 -2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.836 0.523 -2.125 1.00 0.00 H new ATOM 426 N VAL A 28 -3.778 2.168 -2.928 1.00 0.00 N ATOM 427 CA VAL A 28 -3.492 3.541 -3.299 1.00 0.00 C ATOM 428 C VAL A 28 -4.837 4.232 -3.561 1.00 0.00 C ATOM 429 O VAL A 28 -5.011 5.385 -3.176 1.00 0.00 O ATOM 430 CB VAL A 28 -2.556 3.579 -4.531 1.00 0.00 C ATOM 431 CG1 VAL A 28 -1.975 4.983 -4.731 1.00 0.00 C ATOM 432 CG2 VAL A 28 -1.398 2.559 -4.433 1.00 0.00 C ATOM 0 H VAL A 28 -3.537 1.487 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.967 4.069 -2.503 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.171 3.306 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.320 4.985 -5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.787 5.694 -4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.404 5.270 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.774 2.630 -5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.796 2.775 -3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.806 1.551 -4.356 1.00 0.00 H new ATOM 442 N SER A 29 -5.827 3.532 -4.129 1.00 0.00 N ATOM 443 CA SER A 29 -7.183 4.067 -4.273 1.00 0.00 C ATOM 444 C SER A 29 -7.903 4.230 -2.946 1.00 0.00 C ATOM 445 O SER A 29 -8.645 5.197 -2.772 1.00 0.00 O ATOM 446 CB SER A 29 -8.068 3.190 -5.149 1.00 0.00 C ATOM 447 OG SER A 29 -7.632 3.262 -6.492 1.00 0.00 O ATOM 0 H SER A 29 -5.711 2.588 -4.498 1.00 0.00 H new ATOM 0 HA SER A 29 -7.032 5.042 -4.737 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.033 2.158 -4.800 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.106 3.516 -5.076 1.00 0.00 H new ATOM 0 HG SER A 29 -7.135 2.448 -6.719 1.00 0.00 H new ATOM 453 N LEU A 30 -7.684 3.312 -2.003 1.00 0.00 N ATOM 454 CA LEU A 30 -8.124 3.497 -0.633 1.00 0.00 C ATOM 455 C LEU A 30 -7.446 4.713 -0.001 1.00 0.00 C ATOM 456 O LEU A 30 -7.910 5.193 1.026 1.00 0.00 O ATOM 457 CB LEU A 30 -7.883 2.221 0.197 1.00 0.00 C ATOM 458 CG LEU A 30 -9.078 1.242 0.219 1.00 0.00 C ATOM 459 CD1 LEU A 30 -8.730 -0.088 -0.454 1.00 0.00 C ATOM 460 CD2 LEU A 30 -9.528 0.973 1.659 1.00 0.00 C ATOM 0 H LEU A 30 -7.201 2.430 -2.172 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.197 3.687 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.011 1.702 -0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.644 2.507 1.221 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.888 1.713 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.595 -0.751 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.452 0.092 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.895 -0.553 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.370 0.281 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.703 0.536 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.831 1.910 2.127 1.00 0.00 H new ATOM 472 N GLY A 31 -6.363 5.225 -0.586 1.00 0.00 N ATOM 473 CA GLY A 31 -5.557 6.278 -0.012 1.00 0.00 C ATOM 474 C GLY A 31 -4.999 5.814 1.324 1.00 0.00 C ATOM 475 O GLY A 31 -5.079 6.549 2.303 1.00 0.00 O ATOM 0 H GLY A 31 -6.022 4.905 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.743 6.538 -0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.157 7.177 0.125 1.00 0.00 H new ATOM 479 N LEU A 32 -4.489 4.580 1.399 1.00 0.00 N ATOM 480 CA LEU A 32 -3.684 4.122 2.534 1.00 0.00 C ATOM 481 C LEU A 32 -2.294 4.768 2.410 1.00 0.00 C ATOM 482 O LEU A 32 -2.153 5.816 1.775 1.00 0.00 O ATOM 483 CB LEU A 32 -3.676 2.575 2.596 1.00 0.00 C ATOM 484 CG LEU A 32 -5.083 2.014 2.897 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.254 0.605 2.327 1.00 0.00 C ATOM 486 CD2 LEU A 32 -5.361 1.973 4.403 1.00 0.00 C ATOM 0 H LEU A 32 -4.623 3.873 0.676 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.105 4.434 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.318 2.174 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.979 2.244 3.366 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.794 2.687 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.255 0.239 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.115 0.630 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.514 -0.060 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.360 1.573 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.624 1.336 4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.297 2.981 4.812 1.00 0.00 H new ATOM 498 N VAL A 33 -1.292 4.150 3.040 1.00 0.00 N ATOM 499 CA VAL A 33 0.100 4.568 3.169 1.00 0.00 C ATOM 500 C VAL A 33 0.258 5.922 3.877 1.00 0.00 C ATOM 501 O VAL A 33 -0.640 6.761 3.936 1.00 0.00 O ATOM 502 CB VAL A 33 0.868 4.391 1.828 1.00 0.00 C ATOM 503 CG1 VAL A 33 0.645 5.463 0.743 1.00 0.00 C ATOM 504 CG2 VAL A 33 2.382 4.256 2.063 1.00 0.00 C ATOM 0 H VAL A 33 -1.453 3.262 3.516 1.00 0.00 H new ATOM 0 HA VAL A 33 0.603 3.890 3.859 1.00 0.00 H new ATOM 0 HB VAL A 33 0.429 3.475 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.239 5.218 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.410 5.493 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.949 6.437 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.889 4.134 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.754 5.152 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.577 3.386 2.690 1.00 0.00 H new ATOM 514 N TYR A 34 1.440 6.116 4.448 1.00 0.00 N ATOM 515 CA TYR A 34 1.912 7.362 5.018 1.00 0.00 C ATOM 516 C TYR A 34 3.202 7.732 4.307 1.00 0.00 C ATOM 517 O TYR A 34 3.322 8.861 3.828 1.00 0.00 O ATOM 518 CB TYR A 34 2.121 7.222 6.538 1.00 0.00 C ATOM 519 CG TYR A 34 0.871 7.067 7.382 1.00 0.00 C ATOM 520 CD1 TYR A 34 -0.344 7.686 7.018 1.00 0.00 C ATOM 521 CD2 TYR A 34 0.927 6.285 8.551 1.00 0.00 C ATOM 522 CE1 TYR A 34 -1.501 7.482 7.782 1.00 0.00 C ATOM 523 CE2 TYR A 34 -0.240 6.040 9.289 1.00 0.00 C ATOM 524 CZ TYR A 34 -1.461 6.643 8.914 1.00 0.00 C ATOM 525 OH TYR A 34 -2.603 6.414 9.609 1.00 0.00 O ATOM 0 H TYR A 34 2.128 5.367 4.528 1.00 0.00 H new ATOM 0 HA TYR A 34 1.175 8.153 4.878 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.762 6.358 6.716 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.663 8.099 6.890 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.382 8.321 6.145 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.870 5.873 8.880 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.424 7.968 7.503 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.205 5.387 10.148 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.414 5.815 10.361 1.00 0.00 H new ATOM 535 N ASP A 35 4.139 6.785 4.183 1.00 0.00 N ATOM 536 CA ASP A 35 5.488 7.068 3.709 1.00 0.00 C ATOM 537 C ASP A 35 6.039 5.889 2.919 1.00 0.00 C ATOM 538 O ASP A 35 5.681 4.745 3.206 1.00 0.00 O ATOM 539 CB ASP A 35 6.397 7.273 4.923 1.00 0.00 C ATOM 540 CG ASP A 35 7.517 8.263 4.648 1.00 0.00 C ATOM 541 OD1 ASP A 35 7.977 8.866 5.643 1.00 0.00 O ATOM 542 OD2 ASP A 35 7.893 8.445 3.468 1.00 0.00 O ATOM 0 H ASP A 35 3.978 5.804 4.410 1.00 0.00 H new ATOM 0 HA ASP A 35 5.456 7.953 3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.801 7.627 5.764 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.826 6.315 5.218 1.00 0.00 H new ATOM 548 N ILE A 36 6.954 6.146 1.985 1.00 0.00 N ATOM 549 CA ILE A 36 7.682 5.176 1.186 1.00 0.00 C ATOM 550 C ILE A 36 9.074 5.802 1.045 1.00 0.00 C ATOM 551 O ILE A 36 9.197 6.890 0.473 1.00 0.00 O ATOM 552 CB ILE A 36 7.004 4.982 -0.189 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.466 4.843 -0.164 1.00 0.00 C ATOM 554 CG2 ILE A 36 7.627 3.765 -0.885 1.00 0.00 C ATOM 555 CD1 ILE A 36 4.867 5.013 -1.550 1.00 0.00 C ATOM 0 H ILE A 36 7.220 7.104 1.755 1.00 0.00 H new ATOM 0 HA ILE A 36 7.715 4.184 1.636 1.00 0.00 H new ATOM 0 HB ILE A 36 7.188 5.905 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.195 3.865 0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.044 5.589 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.155 3.620 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.695 3.932 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.474 2.877 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.783 4.909 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.117 6.001 -1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.270 4.251 -2.217 1.00 0.00 H new ATOM 567 N GLN A 37 10.093 5.180 1.631 1.00 0.00 N ATOM 568 CA GLN A 37 11.445 5.697 1.759 1.00 0.00 C ATOM 569 C GLN A 37 12.404 4.608 1.336 1.00 0.00 C ATOM 570 O GLN A 37 12.492 3.564 1.982 1.00 0.00 O ATOM 571 CB GLN A 37 11.697 6.167 3.197 1.00 0.00 C ATOM 572 CG GLN A 37 11.030 7.541 3.308 1.00 0.00 C ATOM 573 CD GLN A 37 11.039 8.226 4.673 1.00 0.00 C ATOM 574 OE1 GLN A 37 11.185 9.447 4.746 1.00 0.00 O ATOM 575 NE2 GLN A 37 10.858 7.494 5.764 1.00 0.00 N ATOM 0 H GLN A 37 9.989 4.256 2.049 1.00 0.00 H new ATOM 0 HA GLN A 37 11.593 6.565 1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.273 5.467 3.917 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.765 6.232 3.406 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.515 8.208 2.595 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.992 7.437 2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.739 6.484 5.686 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.838 7.941 6.681 1.00 0.00 H new ATOM 584 N ILE A 38 13.037 4.831 0.190 1.00 0.00 N ATOM 585 CA ILE A 38 13.818 3.815 -0.493 1.00 0.00 C ATOM 586 C ILE A 38 15.255 4.314 -0.621 1.00 0.00 C ATOM 587 O ILE A 38 15.519 5.380 -1.189 1.00 0.00 O ATOM 588 CB ILE A 38 13.148 3.474 -1.834 1.00 0.00 C ATOM 589 CG1 ILE A 38 11.671 3.047 -1.634 1.00 0.00 C ATOM 590 CG2 ILE A 38 13.912 2.353 -2.558 1.00 0.00 C ATOM 591 CD1 ILE A 38 10.820 3.519 -2.788 1.00 0.00 C ATOM 0 H ILE A 38 13.020 5.730 -0.292 1.00 0.00 H new ATOM 0 HA ILE A 38 13.855 2.882 0.070 1.00 0.00 H new ATOM 0 HB ILE A 38 13.171 4.376 -2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.609 1.962 -1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.290 3.462 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.419 2.129 -3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 38 14.936 2.675 -2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.924 1.459 -1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.787 3.209 -2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.867 4.606 -2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.191 3.083 -3.716 1.00 0.00 H new ATOM 603 N ASP A 39 16.187 3.565 -0.040 1.00 0.00 N ATOM 604 CA ASP A 39 17.613 3.859 -0.143 1.00 0.00 C ATOM 605 C ASP A 39 18.125 3.618 -1.565 1.00 0.00 C ATOM 606 O ASP A 39 17.455 2.978 -2.380 1.00 0.00 O ATOM 607 CB ASP A 39 18.387 2.959 0.814 1.00 0.00 C ATOM 608 CG ASP A 39 19.856 3.347 0.869 1.00 0.00 C ATOM 609 OD1 ASP A 39 20.680 2.518 0.439 1.00 0.00 O ATOM 610 OD2 ASP A 39 20.189 4.479 1.278 1.00 0.00 O ATOM 0 H ASP A 39 15.975 2.736 0.516 1.00 0.00 H new ATOM 0 HA ASP A 39 17.762 4.908 0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 39 17.953 3.026 1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.294 1.921 0.496 1.00 0.00 H new ATOM 616 N ASP A 40 19.361 4.031 -1.837 1.00 0.00 N ATOM 617 CA ASP A 40 20.094 3.721 -3.062 1.00 0.00 C ATOM 618 C ASP A 40 20.172 2.215 -3.266 1.00 0.00 C ATOM 619 O ASP A 40 20.033 1.766 -4.396 1.00 0.00 O ATOM 620 CB ASP A 40 21.540 4.235 -3.027 1.00 0.00 C ATOM 621 CG ASP A 40 21.711 5.718 -3.322 1.00 0.00 C ATOM 622 OD1 ASP A 40 20.795 6.384 -3.863 1.00 0.00 O ATOM 623 OD2 ASP A 40 22.790 6.241 -2.971 1.00 0.00 O ATOM 0 H ASP A 40 19.897 4.609 -1.190 1.00 0.00 H new ATOM 0 HA ASP A 40 19.549 4.212 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 40 21.958 4.027 -2.042 1.00 0.00 H new ATOM 0 HB3 ASP A 40 22.127 3.668 -3.749 1.00 0.00 H new ATOM 629 N GLN A 41 20.351 1.430 -2.201 1.00 0.00 N ATOM 630 CA GLN A 41 20.511 -0.029 -2.188 1.00 0.00 C ATOM 631 C GLN A 41 19.162 -0.753 -2.153 1.00 0.00 C ATOM 632 O GLN A 41 19.032 -1.881 -1.672 1.00 0.00 O ATOM 633 CB GLN A 41 21.420 -0.409 -1.005 1.00 0.00 C ATOM 634 CG GLN A 41 22.836 0.182 -1.143 1.00 0.00 C ATOM 635 CD GLN A 41 23.467 -0.180 -2.485 1.00 0.00 C ATOM 636 OE1 GLN A 41 23.856 0.678 -3.275 1.00 0.00 O ATOM 637 NE2 GLN A 41 23.487 -1.459 -2.805 1.00 0.00 N ATOM 0 H GLN A 41 20.391 1.822 -1.260 1.00 0.00 H new ATOM 0 HA GLN A 41 20.984 -0.354 -3.115 1.00 0.00 H new ATOM 0 HB2 GLN A 41 20.971 -0.057 -0.076 1.00 0.00 H new ATOM 0 HB3 GLN A 41 21.487 -1.495 -0.935 1.00 0.00 H new ATOM 0 HG2 GLN A 41 22.790 1.266 -1.043 1.00 0.00 H new ATOM 0 HG3 GLN A 41 23.465 -0.187 -0.333 1.00 0.00 H new ATOM 0 HE21 GLN A 41 23.160 -2.157 -2.137 1.00 0.00 H new ATOM 0 HE22 GLN A 41 23.829 -1.750 -3.721 1.00 0.00 H new ATOM 646 N ASN A 42 18.156 -0.049 -2.658 1.00 0.00 N ATOM 647 CA ASN A 42 16.772 -0.398 -2.913 1.00 0.00 C ATOM 648 C ASN A 42 16.149 -1.034 -1.684 1.00 0.00 C ATOM 649 O ASN A 42 15.362 -1.977 -1.793 1.00 0.00 O ATOM 650 CB ASN A 42 16.592 -1.287 -4.155 1.00 0.00 C ATOM 651 CG ASN A 42 17.294 -0.824 -5.424 1.00 0.00 C ATOM 652 OD1 ASN A 42 18.347 -0.208 -5.414 1.00 0.00 O ATOM 653 ND2 ASN A 42 16.758 -1.112 -6.590 1.00 0.00 N ATOM 0 H ASN A 42 18.323 0.918 -2.936 1.00 0.00 H new ATOM 0 HA ASN A 42 16.247 0.532 -3.132 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.948 -2.288 -3.913 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.526 -1.370 -4.365 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.222 -0.821 -7.450 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.878 -1.626 -6.634 1.00 0.00 H new ATOM 660 N ASN A 43 16.534 -0.526 -0.514 1.00 0.00 N ATOM 661 CA ASN A 43 15.932 -0.916 0.742 1.00 0.00 C ATOM 662 C ASN A 43 14.560 -0.251 0.773 1.00 0.00 C ATOM 663 O ASN A 43 14.449 0.896 1.210 1.00 0.00 O ATOM 664 CB ASN A 43 16.767 -0.429 1.935 1.00 0.00 C ATOM 665 CG ASN A 43 18.043 -1.212 2.233 1.00 0.00 C ATOM 666 OD1 ASN A 43 18.234 -1.656 3.358 1.00 0.00 O ATOM 667 ND2 ASN A 43 18.930 -1.445 1.278 1.00 0.00 N ATOM 0 H ASN A 43 17.275 0.169 -0.420 1.00 0.00 H new ATOM 0 HA ASN A 43 15.868 -2.002 0.817 1.00 0.00 H new ATOM 0 HB2 ASN A 43 17.038 0.612 1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 43 16.137 -0.450 2.824 1.00 0.00 H new ATOM 0 HD21 ASN A 43 19.767 -1.992 1.481 1.00 0.00 H new ATOM 0 HD22 ASN A 43 18.777 -1.078 0.339 1.00 0.00 H new ATOM 674 N VAL A 44 13.556 -0.879 0.167 1.00 0.00 N ATOM 675 CA VAL A 44 12.222 -0.317 0.067 1.00 0.00 C ATOM 676 C VAL A 44 11.559 -0.413 1.439 1.00 0.00 C ATOM 677 O VAL A 44 11.265 -1.517 1.887 1.00 0.00 O ATOM 678 CB VAL A 44 11.453 -1.052 -1.060 1.00 0.00 C ATOM 679 CG1 VAL A 44 9.962 -0.668 -1.115 1.00 0.00 C ATOM 680 CG2 VAL A 44 12.067 -0.794 -2.448 1.00 0.00 C ATOM 0 H VAL A 44 13.651 -1.796 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 44 12.235 0.738 -0.207 1.00 0.00 H new ATOM 0 HB VAL A 44 11.539 -2.110 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.475 -1.214 -1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.486 -0.921 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.869 0.403 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.494 -1.330 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.043 0.274 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.099 -1.143 -2.460 1.00 0.00 H new ATOM 690 N LYS A 45 11.323 0.719 2.116 1.00 0.00 N ATOM 691 CA LYS A 45 10.725 0.764 3.435 1.00 0.00 C ATOM 692 C LYS A 45 9.455 1.564 3.308 1.00 0.00 C ATOM 693 O LYS A 45 9.449 2.624 2.680 1.00 0.00 O ATOM 694 CB LYS A 45 11.714 1.392 4.420 1.00 0.00 C ATOM 695 CG LYS A 45 11.217 1.268 5.872 1.00 0.00 C ATOM 696 CD LYS A 45 12.045 2.080 6.870 1.00 0.00 C ATOM 697 CE LYS A 45 11.913 3.591 6.643 1.00 0.00 C ATOM 698 NZ LYS A 45 12.778 4.352 7.565 1.00 0.00 N ATOM 0 H LYS A 45 11.551 1.641 1.745 1.00 0.00 H new ATOM 0 HA LYS A 45 10.490 -0.229 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.685 0.905 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.859 2.444 4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.179 1.595 5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.235 0.218 6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.727 1.838 7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.093 1.793 6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.177 3.830 5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.875 3.892 6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.665 5.370 7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.509 4.141 8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.771 4.081 7.413 1.00 0.00 H new ATOM 712 N VAL A 46 8.376 1.041 3.862 1.00 0.00 N ATOM 713 CA VAL A 46 7.046 1.593 3.659 1.00 0.00 C ATOM 714 C VAL A 46 6.304 1.659 4.976 1.00 0.00 C ATOM 715 O VAL A 46 6.048 0.631 5.595 1.00 0.00 O ATOM 716 CB VAL A 46 6.268 0.786 2.601 1.00 0.00 C ATOM 717 CG1 VAL A 46 5.064 1.629 2.169 1.00 0.00 C ATOM 718 CG2 VAL A 46 7.117 0.409 1.372 1.00 0.00 C ATOM 0 H VAL A 46 8.396 0.220 4.467 1.00 0.00 H new ATOM 0 HA VAL A 46 7.141 2.609 3.276 1.00 0.00 H new ATOM 0 HB VAL A 46 5.960 -0.159 3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.490 1.086 1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.432 1.830 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.412 2.572 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.507 -0.157 0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.481 1.316 0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.965 -0.199 1.688 1.00 0.00 H new ATOM 728 N LEU A 47 5.926 2.866 5.386 1.00 0.00 N ATOM 729 CA LEU A 47 4.969 3.070 6.453 1.00 0.00 C ATOM 730 C LEU A 47 3.612 2.875 5.802 1.00 0.00 C ATOM 731 O LEU A 47 3.013 3.855 5.340 1.00 0.00 O ATOM 732 CB LEU A 47 5.103 4.478 7.054 1.00 0.00 C ATOM 733 CG LEU A 47 6.154 4.610 8.167 1.00 0.00 C ATOM 734 CD1 LEU A 47 7.565 4.172 7.751 1.00 0.00 C ATOM 735 CD2 LEU A 47 6.197 6.061 8.656 1.00 0.00 C ATOM 0 H LEU A 47 6.281 3.732 4.980 1.00 0.00 H new ATOM 0 HA LEU A 47 5.125 2.379 7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.352 5.176 6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.134 4.781 7.451 1.00 0.00 H new ATOM 0 HG LEU A 47 5.844 3.932 8.963 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.247 4.296 8.592 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.547 3.125 7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.904 4.784 6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.942 6.157 9.446 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.461 6.717 7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.218 6.343 9.044 1.00 0.00 H new ATOM 747 N MET A 48 3.137 1.629 5.734 1.00 0.00 N ATOM 748 CA MET A 48 1.754 1.327 5.391 1.00 0.00 C ATOM 749 C MET A 48 0.954 1.111 6.684 1.00 0.00 C ATOM 750 O MET A 48 1.515 0.978 7.777 1.00 0.00 O ATOM 751 CB MET A 48 1.680 0.175 4.364 1.00 0.00 C ATOM 752 CG MET A 48 0.224 -0.120 3.969 1.00 0.00 C ATOM 753 SD MET A 48 -0.143 -0.950 2.412 1.00 0.00 S ATOM 754 CE MET A 48 -1.840 -1.440 2.814 1.00 0.00 C ATOM 0 H MET A 48 3.706 0.802 5.917 1.00 0.00 H new ATOM 0 HA MET A 48 1.283 2.167 4.880 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.255 0.437 3.476 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.135 -0.722 4.785 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.211 -0.722 4.767 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.308 0.831 3.961 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.129 -2.291 2.197 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.899 -1.718 3.866 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.515 -0.606 2.620 1.00 0.00 H new ATOM 764 N THR A 49 -0.366 1.109 6.545 1.00 0.00 N ATOM 765 CA THR A 49 -1.366 0.849 7.552 1.00 0.00 C ATOM 766 C THR A 49 -2.529 0.149 6.844 1.00 0.00 C ATOM 767 O THR A 49 -2.502 -0.015 5.620 1.00 0.00 O ATOM 768 CB THR A 49 -1.749 2.173 8.241 1.00 0.00 C ATOM 769 OG1 THR A 49 -2.674 1.882 9.261 1.00 0.00 O ATOM 770 CG2 THR A 49 -2.355 3.242 7.311 1.00 0.00 C ATOM 0 H THR A 49 -0.793 1.308 5.640 1.00 0.00 H new ATOM 0 HA THR A 49 -1.013 0.197 8.351 1.00 0.00 H new ATOM 0 HB THR A 49 -0.821 2.604 8.618 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.239 1.976 10.134 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.591 4.136 7.889 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.637 3.494 6.530 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.266 2.854 6.855 1.00 0.00 H new ATOM 778 N MET A 50 -3.532 -0.281 7.603 1.00 0.00 N ATOM 779 CA MET A 50 -4.741 -0.907 7.086 1.00 0.00 C ATOM 780 C MET A 50 -5.923 0.032 7.309 1.00 0.00 C ATOM 781 O MET A 50 -5.856 0.935 8.145 1.00 0.00 O ATOM 782 CB MET A 50 -4.957 -2.254 7.796 1.00 0.00 C ATOM 783 CG MET A 50 -4.368 -3.426 7.011 1.00 0.00 C ATOM 784 SD MET A 50 -5.205 -3.680 5.433 1.00 0.00 S ATOM 785 CE MET A 50 -4.547 -5.309 5.031 1.00 0.00 C ATOM 0 H MET A 50 -3.525 -0.201 8.620 1.00 0.00 H new ATOM 0 HA MET A 50 -4.647 -1.095 6.016 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.502 -2.217 8.786 1.00 0.00 H new ATOM 0 HB3 MET A 50 -6.025 -2.418 7.942 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.308 -3.245 6.833 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.441 -4.334 7.609 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.331 -5.917 4.579 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.719 -5.204 4.330 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.193 -5.793 5.941 1.00 0.00 H new ATOM 795 N THR A 51 -7.026 -0.218 6.599 1.00 0.00 N ATOM 796 CA THR A 51 -8.282 0.462 6.879 1.00 0.00 C ATOM 797 C THR A 51 -8.702 0.147 8.317 1.00 0.00 C ATOM 798 O THR A 51 -8.962 1.059 9.109 1.00 0.00 O ATOM 799 CB THR A 51 -9.346 0.126 5.807 1.00 0.00 C ATOM 800 OG1 THR A 51 -10.603 0.618 6.180 1.00 0.00 O ATOM 801 CG2 THR A 51 -9.493 -1.358 5.446 1.00 0.00 C ATOM 0 H THR A 51 -7.070 -0.885 5.829 1.00 0.00 H new ATOM 0 HA THR A 51 -8.162 1.543 6.813 1.00 0.00 H new ATOM 0 HB THR A 51 -8.968 0.619 4.912 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.598 1.597 6.135 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.266 -1.473 4.686 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.546 -1.734 5.059 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.772 -1.923 6.336 1.00 0.00 H new ATOM 809 N THR A 52 -8.722 -1.139 8.681 1.00 0.00 N ATOM 810 CA THR A 52 -9.305 -1.601 9.927 1.00 0.00 C ATOM 811 C THR A 52 -8.371 -2.637 10.578 1.00 0.00 C ATOM 812 O THR A 52 -7.711 -3.406 9.870 1.00 0.00 O ATOM 813 CB THR A 52 -10.714 -2.168 9.638 1.00 0.00 C ATOM 814 OG1 THR A 52 -10.636 -3.385 8.922 1.00 0.00 O ATOM 815 CG2 THR A 52 -11.596 -1.226 8.809 1.00 0.00 C ATOM 0 H THR A 52 -8.329 -1.887 8.110 1.00 0.00 H new ATOM 0 HA THR A 52 -9.416 -0.780 10.636 1.00 0.00 H new ATOM 0 HB THR A 52 -11.162 -2.306 10.622 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.812 -3.401 8.392 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.569 -1.689 8.645 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.727 -0.285 9.344 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.119 -1.033 7.848 1.00 0.00 H new ATOM 823 N PRO A 53 -8.340 -2.745 11.916 1.00 0.00 N ATOM 824 CA PRO A 53 -7.741 -3.867 12.647 1.00 0.00 C ATOM 825 C PRO A 53 -8.284 -5.273 12.315 1.00 0.00 C ATOM 826 O PRO A 53 -7.874 -6.250 12.951 1.00 0.00 O ATOM 827 CB PRO A 53 -7.985 -3.541 14.124 1.00 0.00 C ATOM 828 CG PRO A 53 -8.045 -2.020 14.165 1.00 0.00 C ATOM 829 CD PRO A 53 -8.727 -1.691 12.843 1.00 0.00 C ATOM 0 HA PRO A 53 -6.692 -3.943 12.361 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.913 -3.986 14.482 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.183 -3.925 14.755 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.616 -1.658 15.020 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.052 -1.575 14.233 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.810 -1.655 12.962 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.413 -0.714 12.475 1.00 0.00 H new ATOM 837 N MET A 54 -9.236 -5.411 11.388 1.00 0.00 N ATOM 838 CA MET A 54 -10.084 -6.590 11.244 1.00 0.00 C ATOM 839 C MET A 54 -10.380 -6.923 9.776 1.00 0.00 C ATOM 840 O MET A 54 -11.390 -7.563 9.484 1.00 0.00 O ATOM 841 CB MET A 54 -11.366 -6.383 12.068 1.00 0.00 C ATOM 842 CG MET A 54 -12.057 -5.051 11.754 1.00 0.00 C ATOM 843 SD MET A 54 -13.854 -5.146 11.680 1.00 0.00 S ATOM 844 CE MET A 54 -14.045 -5.556 9.927 1.00 0.00 C ATOM 0 H MET A 54 -9.441 -4.685 10.701 1.00 0.00 H new ATOM 0 HA MET A 54 -9.551 -7.459 11.630 1.00 0.00 H new ATOM 0 HB2 MET A 54 -12.057 -7.202 11.871 1.00 0.00 H new ATOM 0 HB3 MET A 54 -11.122 -6.421 13.130 1.00 0.00 H new ATOM 0 HG2 MET A 54 -11.775 -4.321 12.513 1.00 0.00 H new ATOM 0 HG3 MET A 54 -11.685 -4.679 10.799 1.00 0.00 H new ATOM 0 HE1 MET A 54 -15.088 -5.431 9.636 1.00 0.00 H new ATOM 0 HE2 MET A 54 -13.419 -4.895 9.328 1.00 0.00 H new ATOM 0 HE3 MET A 54 -13.743 -6.590 9.760 1.00 0.00 H new ATOM 854 N CYS A 55 -9.524 -6.484 8.845 1.00 0.00 N ATOM 855 CA CYS A 55 -9.717 -6.675 7.406 1.00 0.00 C ATOM 856 C CYS A 55 -9.990 -8.150 7.051 1.00 0.00 C ATOM 857 O CYS A 55 -9.527 -9.046 7.764 1.00 0.00 O ATOM 858 CB CYS A 55 -8.505 -6.121 6.648 1.00 0.00 C ATOM 859 SG CYS A 55 -8.298 -4.338 6.928 1.00 0.00 S ATOM 0 H CYS A 55 -8.668 -5.980 9.075 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.604 -6.121 7.099 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.605 -6.647 6.966 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.625 -6.311 5.581 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.168 -3.947 6.418 1.00 0.00 H new ATOM 865 N PRO A 56 -10.712 -8.445 5.951 1.00 0.00 N ATOM 866 CA PRO A 56 -11.521 -9.659 5.836 1.00 0.00 C ATOM 867 C PRO A 56 -10.685 -10.935 5.786 1.00 0.00 C ATOM 868 O PRO A 56 -11.149 -12.022 6.134 1.00 0.00 O ATOM 869 CB PRO A 56 -12.328 -9.504 4.541 1.00 0.00 C ATOM 870 CG PRO A 56 -11.470 -8.549 3.713 1.00 0.00 C ATOM 871 CD PRO A 56 -10.864 -7.627 4.763 1.00 0.00 C ATOM 0 HA PRO A 56 -12.155 -9.763 6.717 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.469 -10.460 4.037 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.320 -9.094 4.730 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.701 -9.081 3.153 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.068 -7.996 2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.903 -7.232 4.432 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.511 -6.771 4.955 1.00 0.00 H new ATOM 879 N LEU A 57 -9.451 -10.797 5.319 1.00 0.00 N ATOM 880 CA LEU A 57 -8.385 -11.772 5.314 1.00 0.00 C ATOM 881 C LEU A 57 -7.112 -10.928 5.315 1.00 0.00 C ATOM 882 O LEU A 57 -6.345 -10.939 4.353 1.00 0.00 O ATOM 883 CB LEU A 57 -8.529 -12.764 4.133 1.00 0.00 C ATOM 884 CG LEU A 57 -9.171 -12.251 2.821 1.00 0.00 C ATOM 885 CD1 LEU A 57 -8.331 -11.227 2.074 1.00 0.00 C ATOM 886 CD2 LEU A 57 -9.424 -13.400 1.853 1.00 0.00 C ATOM 0 H LEU A 57 -9.151 -9.918 4.898 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.388 -12.439 6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.535 -13.141 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.117 -13.613 4.481 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.097 -11.775 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.853 -10.920 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.167 -10.357 2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.371 -11.669 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.875 -13.013 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.479 -13.888 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.098 -14.122 2.313 1.00 0.00 H new ATOM 898 N ALA A 58 -6.921 -10.128 6.377 1.00 0.00 N ATOM 899 CA ALA A 58 -5.868 -9.117 6.448 1.00 0.00 C ATOM 900 C ALA A 58 -4.522 -9.722 6.061 1.00 0.00 C ATOM 901 O ALA A 58 -3.802 -9.125 5.273 1.00 0.00 O ATOM 902 CB ALA A 58 -5.760 -8.502 7.850 1.00 0.00 C ATOM 0 H ALA A 58 -7.501 -10.170 7.215 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.135 -8.327 5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.966 -7.756 7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.706 -8.029 8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.532 -9.284 8.574 1.00 0.00 H new ATOM 908 N GLY A 59 -4.201 -10.910 6.581 1.00 0.00 N ATOM 909 CA GLY A 59 -2.947 -11.591 6.296 1.00 0.00 C ATOM 910 C GLY A 59 -2.711 -11.822 4.809 1.00 0.00 C ATOM 911 O GLY A 59 -1.573 -11.778 4.359 1.00 0.00 O ATOM 0 H GLY A 59 -4.812 -11.425 7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.123 -11.004 6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.938 -12.551 6.812 1.00 0.00 H new ATOM 915 N MET A 60 -3.749 -12.115 4.027 1.00 0.00 N ATOM 916 CA MET A 60 -3.606 -12.335 2.592 1.00 0.00 C ATOM 917 C MET A 60 -3.310 -11.005 1.907 1.00 0.00 C ATOM 918 O MET A 60 -2.383 -10.923 1.110 1.00 0.00 O ATOM 919 CB MET A 60 -4.881 -12.968 2.027 1.00 0.00 C ATOM 920 CG MET A 60 -4.625 -14.339 1.404 1.00 0.00 C ATOM 921 SD MET A 60 -6.038 -14.925 0.426 1.00 0.00 S ATOM 922 CE MET A 60 -5.842 -16.724 0.509 1.00 0.00 C ATOM 0 H MET A 60 -4.706 -12.206 4.369 1.00 0.00 H new ATOM 0 HA MET A 60 -2.779 -13.020 2.406 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.618 -13.066 2.824 1.00 0.00 H new ATOM 0 HB3 MET A 60 -5.310 -12.305 1.276 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.742 -14.287 0.767 1.00 0.00 H new ATOM 0 HG3 MET A 60 -4.408 -15.059 2.193 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.645 -17.204 -0.051 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.881 -17.006 0.079 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.882 -17.047 1.549 1.00 0.00 H new ATOM 932 N ILE A 61 -4.064 -9.960 2.249 1.00 0.00 N ATOM 933 CA ILE A 61 -3.898 -8.620 1.692 1.00 0.00 C ATOM 934 C ILE A 61 -2.480 -8.098 1.996 1.00 0.00 C ATOM 935 O ILE A 61 -1.814 -7.550 1.114 1.00 0.00 O ATOM 936 CB ILE A 61 -5.010 -7.706 2.258 1.00 0.00 C ATOM 937 CG1 ILE A 61 -6.426 -8.159 1.836 1.00 0.00 C ATOM 938 CG2 ILE A 61 -4.817 -6.265 1.778 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.509 -7.662 2.805 1.00 0.00 C ATOM 0 H ILE A 61 -4.819 -10.023 2.932 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.998 -8.634 0.607 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.929 -7.771 3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.640 -7.788 0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.457 -9.247 1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.609 -5.636 2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.849 -5.895 2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.856 -6.236 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.486 -8.006 2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.312 -8.054 3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.498 -6.572 2.835 1.00 0.00 H new ATOM 951 N LEU A 62 -2.009 -8.294 3.234 1.00 0.00 N ATOM 952 CA LEU A 62 -0.669 -7.922 3.686 1.00 0.00 C ATOM 953 C LEU A 62 0.398 -8.746 2.959 1.00 0.00 C ATOM 954 O LEU A 62 1.517 -8.260 2.768 1.00 0.00 O ATOM 955 CB LEU A 62 -0.533 -8.139 5.205 1.00 0.00 C ATOM 956 CG LEU A 62 -1.405 -7.214 6.081 1.00 0.00 C ATOM 957 CD1 LEU A 62 -1.493 -7.784 7.501 1.00 0.00 C ATOM 958 CD2 LEU A 62 -0.873 -5.784 6.176 1.00 0.00 C ATOM 0 H LEU A 62 -2.569 -8.729 3.968 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.520 -6.867 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.787 -9.174 5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.511 -7.999 5.484 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.382 -7.173 5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.109 -7.130 8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.940 -8.778 7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.493 -7.851 7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.535 -5.191 6.807 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.127 -5.796 6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.831 -5.344 5.179 1.00 0.00 H new ATOM 970 N SER A 63 0.095 -9.992 2.587 1.00 0.00 N ATOM 971 CA SER A 63 0.946 -10.780 1.715 1.00 0.00 C ATOM 972 C SER A 63 0.984 -10.132 0.331 1.00 0.00 C ATOM 973 O SER A 63 2.084 -9.875 -0.156 1.00 0.00 O ATOM 974 CB SER A 63 0.494 -12.250 1.660 1.00 0.00 C ATOM 975 OG SER A 63 1.496 -13.085 2.216 1.00 0.00 O ATOM 0 H SER A 63 -0.751 -10.477 2.887 1.00 0.00 H new ATOM 0 HA SER A 63 1.959 -10.794 2.118 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.440 -12.373 2.209 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.298 -12.541 0.628 1.00 0.00 H new ATOM 0 HG SER A 63 1.201 -14.019 2.179 1.00 0.00 H new ATOM 981 N ASP A 64 -0.165 -9.838 -0.285 1.00 0.00 N ATOM 982 CA ASP A 64 -0.267 -9.388 -1.677 1.00 0.00 C ATOM 983 C ASP A 64 0.502 -8.090 -1.914 1.00 0.00 C ATOM 984 O ASP A 64 1.061 -7.901 -2.994 1.00 0.00 O ATOM 985 CB ASP A 64 -1.727 -9.179 -2.090 1.00 0.00 C ATOM 986 CG ASP A 64 -1.927 -9.147 -3.608 1.00 0.00 C ATOM 987 OD1 ASP A 64 -1.302 -9.948 -4.338 1.00 0.00 O ATOM 988 OD2 ASP A 64 -2.776 -8.354 -4.090 1.00 0.00 O ATOM 0 H ASP A 64 -1.070 -9.908 0.180 1.00 0.00 H new ATOM 0 HA ASP A 64 0.174 -10.177 -2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.335 -9.978 -1.667 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.088 -8.243 -1.663 1.00 0.00 H new ATOM 994 N ALA A 65 0.554 -7.211 -0.904 1.00 0.00 N ATOM 995 CA ALA A 65 1.359 -5.999 -0.938 1.00 0.00 C ATOM 996 C ALA A 65 2.836 -6.351 -1.074 1.00 0.00 C ATOM 997 O ALA A 65 3.462 -5.929 -2.044 1.00 0.00 O ATOM 998 CB ALA A 65 1.113 -5.142 0.303 1.00 0.00 C ATOM 0 H ALA A 65 0.031 -7.329 -0.036 1.00 0.00 H new ATOM 0 HA ALA A 65 1.062 -5.413 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.727 -4.243 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.061 -4.861 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.375 -5.710 1.195 1.00 0.00 H new ATOM 1004 N GLU A 66 3.407 -7.120 -0.140 1.00 0.00 N ATOM 1005 CA GLU A 66 4.799 -7.537 -0.209 1.00 0.00 C ATOM 1006 C GLU A 66 5.064 -8.266 -1.531 1.00 0.00 C ATOM 1007 O GLU A 66 6.058 -7.999 -2.201 1.00 0.00 O ATOM 1008 CB GLU A 66 5.133 -8.438 0.993 1.00 0.00 C ATOM 1009 CG GLU A 66 6.638 -8.376 1.256 1.00 0.00 C ATOM 1010 CD GLU A 66 7.176 -9.596 1.996 1.00 0.00 C ATOM 1011 OE1 GLU A 66 6.745 -9.870 3.138 1.00 0.00 O ATOM 1012 OE2 GLU A 66 8.025 -10.310 1.415 1.00 0.00 O ATOM 0 H GLU A 66 2.912 -7.467 0.682 1.00 0.00 H new ATOM 0 HA GLU A 66 5.442 -6.658 -0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.583 -8.110 1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.828 -9.465 0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.161 -8.278 0.305 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.861 -7.481 1.837 1.00 0.00 H new ATOM 1020 N GLU A 67 4.146 -9.150 -1.913 1.00 0.00 N ATOM 1021 CA GLU A 67 4.140 -9.976 -3.112 1.00 0.00 C ATOM 1022 C GLU A 67 4.158 -9.132 -4.387 1.00 0.00 C ATOM 1023 O GLU A 67 4.681 -9.580 -5.399 1.00 0.00 O ATOM 1024 CB GLU A 67 2.876 -10.843 -3.058 1.00 0.00 C ATOM 1025 CG GLU A 67 2.768 -11.940 -4.117 1.00 0.00 C ATOM 1026 CD GLU A 67 3.433 -13.212 -3.599 1.00 0.00 C ATOM 1027 OE1 GLU A 67 2.698 -14.074 -3.061 1.00 0.00 O ATOM 1028 OE2 GLU A 67 4.682 -13.295 -3.671 1.00 0.00 O ATOM 0 H GLU A 67 3.318 -9.319 -1.342 1.00 0.00 H new ATOM 0 HA GLU A 67 5.039 -10.592 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.821 -11.309 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.008 -10.190 -3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.721 -12.133 -4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.247 -11.617 -5.041 1.00 0.00 H new ATOM 1036 N ALA A 68 3.607 -7.919 -4.351 1.00 0.00 N ATOM 1037 CA ALA A 68 3.612 -6.989 -5.465 1.00 0.00 C ATOM 1038 C ALA A 68 4.882 -6.153 -5.441 1.00 0.00 C ATOM 1039 O ALA A 68 5.561 -6.017 -6.457 1.00 0.00 O ATOM 1040 CB ALA A 68 2.395 -6.076 -5.376 1.00 0.00 C ATOM 0 H ALA A 68 3.135 -7.553 -3.524 1.00 0.00 H new ATOM 0 HA ALA A 68 3.575 -7.552 -6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.401 -5.379 -6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.486 -6.677 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.426 -5.519 -4.440 1.00 0.00 H new ATOM 1046 N ILE A 69 5.214 -5.594 -4.277 1.00 0.00 N ATOM 1047 CA ILE A 69 6.376 -4.745 -4.083 1.00 0.00 C ATOM 1048 C ILE A 69 7.636 -5.511 -4.485 1.00 0.00 C ATOM 1049 O ILE A 69 8.530 -4.897 -5.048 1.00 0.00 O ATOM 1050 CB ILE A 69 6.411 -4.229 -2.621 1.00 0.00 C ATOM 1051 CG1 ILE A 69 5.228 -3.278 -2.332 1.00 0.00 C ATOM 1052 CG2 ILE A 69 7.727 -3.491 -2.328 1.00 0.00 C ATOM 1053 CD1 ILE A 69 5.039 -3.006 -0.831 1.00 0.00 C ATOM 0 H ILE A 69 4.666 -5.726 -3.427 1.00 0.00 H new ATOM 0 HA ILE A 69 6.321 -3.864 -4.722 1.00 0.00 H new ATOM 0 HB ILE A 69 6.333 -5.103 -1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.391 -2.333 -2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.313 -3.710 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.725 -3.140 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.566 -4.170 -2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.824 -2.639 -3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.194 -2.332 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.846 -3.945 -0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.942 -2.547 -0.428 1.00 0.00 H new ATOM 1065 N LYS A 70 7.719 -6.826 -4.270 1.00 0.00 N ATOM 1066 CA LYS A 70 8.889 -7.626 -4.612 1.00 0.00 C ATOM 1067 C LYS A 70 9.053 -7.894 -6.108 1.00 0.00 C ATOM 1068 O LYS A 70 9.981 -8.606 -6.485 1.00 0.00 O ATOM 1069 CB LYS A 70 8.878 -8.928 -3.804 1.00 0.00 C ATOM 1070 CG LYS A 70 7.762 -9.909 -4.205 1.00 0.00 C ATOM 1071 CD LYS A 70 7.848 -11.210 -3.404 1.00 0.00 C ATOM 1072 CE LYS A 70 7.430 -10.983 -1.947 1.00 0.00 C ATOM 1073 NZ LYS A 70 8.390 -11.579 -1.008 1.00 0.00 N ATOM 0 H LYS A 70 6.965 -7.368 -3.848 1.00 0.00 H new ATOM 0 HA LYS A 70 9.763 -7.033 -4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.842 -9.424 -3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.771 -8.686 -2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.790 -9.443 -4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.835 -10.130 -5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.205 -11.964 -3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.867 -11.596 -3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.348 -9.913 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.443 -11.413 -1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.352 -11.070 -0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.149 -12.579 -0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.350 -11.511 -1.403 1.00 0.00 H new ATOM 1087 N LYS A 71 8.143 -7.446 -6.976 1.00 0.00 N ATOM 1088 CA LYS A 71 8.194 -7.721 -8.413 1.00 0.00 C ATOM 1089 C LYS A 71 8.966 -6.646 -9.164 1.00 0.00 C ATOM 1090 O LYS A 71 9.103 -6.732 -10.384 1.00 0.00 O ATOM 1091 CB LYS A 71 6.768 -7.765 -8.960 1.00 0.00 C ATOM 1092 CG LYS A 71 5.863 -8.717 -8.178 1.00 0.00 C ATOM 1093 CD LYS A 71 6.042 -10.198 -8.524 1.00 0.00 C ATOM 1094 CE LYS A 71 4.726 -10.944 -8.262 1.00 0.00 C ATOM 1095 NZ LYS A 71 4.771 -12.348 -8.711 1.00 0.00 N ATOM 0 H LYS A 71 7.343 -6.877 -6.698 1.00 0.00 H new ATOM 0 HA LYS A 71 8.702 -8.675 -8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.342 -6.762 -8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.794 -8.072 -10.005 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.050 -8.582 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.824 -8.439 -8.357 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.333 -10.306 -9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.843 -10.629 -7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.502 -10.914 -7.196 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.913 -10.429 -8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.859 -12.806 -8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.958 -12.380 -9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.528 -12.850 -8.205 1.00 0.00 H new ATOM 1109 N ILE A 72 9.397 -5.598 -8.459 1.00 0.00 N ATOM 1110 CA ILE A 72 9.988 -4.404 -9.048 1.00 0.00 C ATOM 1111 C ILE A 72 11.463 -4.672 -9.430 1.00 0.00 C ATOM 1112 O ILE A 72 12.162 -3.800 -9.940 1.00 0.00 O ATOM 1113 CB ILE A 72 9.708 -3.171 -8.142 1.00 0.00 C ATOM 1114 CG1 ILE A 72 8.223 -3.108 -7.694 1.00 0.00 C ATOM 1115 CG2 ILE A 72 9.986 -1.853 -8.897 1.00 0.00 C ATOM 1116 CD1 ILE A 72 7.973 -2.044 -6.615 1.00 0.00 C ATOM 0 H ILE A 72 9.342 -5.559 -7.441 1.00 0.00 H new ATOM 0 HA ILE A 72 9.517 -4.147 -9.997 1.00 0.00 H new ATOM 0 HB ILE A 72 10.365 -3.283 -7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.596 -2.896 -8.560 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.921 -4.084 -7.313 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.782 -1.007 -8.240 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.030 -1.826 -9.210 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.343 -1.794 -9.775 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.918 -2.045 -6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.577 -2.268 -5.736 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.246 -1.062 -7.002 1.00 0.00 H new ATOM 1128 N GLU A 73 11.949 -5.899 -9.255 1.00 0.00 N ATOM 1129 CA GLU A 73 13.222 -6.448 -9.724 1.00 0.00 C ATOM 1130 C GLU A 73 14.425 -5.541 -9.454 1.00 0.00 C ATOM 1131 O GLU A 73 15.364 -5.411 -10.241 1.00 0.00 O ATOM 1132 CB GLU A 73 13.066 -6.844 -11.197 1.00 0.00 C ATOM 1133 CG GLU A 73 13.955 -8.041 -11.503 1.00 0.00 C ATOM 1134 CD GLU A 73 14.147 -8.209 -13.001 1.00 0.00 C ATOM 1135 OE1 GLU A 73 15.112 -7.634 -13.554 1.00 0.00 O ATOM 1136 OE2 GLU A 73 13.423 -9.026 -13.607 1.00 0.00 O ATOM 0 H GLU A 73 11.416 -6.597 -8.736 1.00 0.00 H new ATOM 0 HA GLU A 73 13.455 -7.339 -9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.025 -7.088 -11.410 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.335 -6.005 -11.839 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.924 -7.911 -11.021 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.510 -8.945 -11.086 1.00 0.00 H new ATOM 1144 N GLY A 74 14.449 -4.993 -8.250 1.00 0.00 N ATOM 1145 CA GLY A 74 15.333 -3.925 -7.839 1.00 0.00 C ATOM 1146 C GLY A 74 15.327 -3.895 -6.328 1.00 0.00 C ATOM 1147 O GLY A 74 16.391 -3.920 -5.712 1.00 0.00 O ATOM 0 H GLY A 74 13.824 -5.297 -7.503 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.342 -4.094 -8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.997 -2.970 -8.244 1.00 0.00 H new ATOM 1151 N VAL A 75 14.117 -3.842 -5.784 1.00 0.00 N ATOM 1152 CA VAL A 75 13.560 -4.008 -4.436 1.00 0.00 C ATOM 1153 C VAL A 75 14.181 -5.138 -3.603 1.00 0.00 C ATOM 1154 O VAL A 75 13.547 -6.107 -3.180 1.00 0.00 O ATOM 1155 CB VAL A 75 12.048 -4.079 -4.599 1.00 0.00 C ATOM 1156 CG1 VAL A 75 11.744 -5.236 -5.555 1.00 0.00 C ATOM 1157 CG2 VAL A 75 11.291 -4.154 -3.277 1.00 0.00 C ATOM 0 H VAL A 75 13.342 -3.638 -6.415 1.00 0.00 H new ATOM 0 HA VAL A 75 13.828 -3.151 -3.818 1.00 0.00 H new ATOM 0 HB VAL A 75 11.681 -3.147 -5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.666 -5.318 -5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.223 -5.049 -6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.126 -6.166 -5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.220 -4.202 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.600 -5.045 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.511 -3.268 -2.681 1.00 0.00 H new ATOM 1167 N ASN A 76 15.462 -4.979 -3.392 1.00 0.00 N ATOM 1168 CA ASN A 76 16.385 -5.814 -2.671 1.00 0.00 C ATOM 1169 C ASN A 76 15.759 -6.378 -1.399 1.00 0.00 C ATOM 1170 O ASN A 76 15.596 -7.586 -1.255 1.00 0.00 O ATOM 1171 CB ASN A 76 17.553 -4.893 -2.359 1.00 0.00 C ATOM 1172 CG ASN A 76 18.562 -5.547 -1.426 1.00 0.00 C ATOM 1173 OD1 ASN A 76 18.785 -6.751 -1.470 1.00 0.00 O ATOM 1174 ND2 ASN A 76 19.180 -4.779 -0.554 1.00 0.00 N ATOM 0 H ASN A 76 15.939 -4.160 -3.769 1.00 0.00 H new ATOM 0 HA ASN A 76 16.688 -6.688 -3.247 1.00 0.00 H new ATOM 0 HB2 ASN A 76 18.049 -4.609 -3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.180 -3.976 -1.904 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.854 -5.185 0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.985 -3.778 -0.528 1.00 0.00 H new ATOM 1181 N ASN A 77 15.408 -5.491 -0.475 1.00 0.00 N ATOM 1182 CA ASN A 77 14.686 -5.791 0.750 1.00 0.00 C ATOM 1183 C ASN A 77 13.422 -4.949 0.856 1.00 0.00 C ATOM 1184 O ASN A 77 13.287 -3.926 0.177 1.00 0.00 O ATOM 1185 CB ASN A 77 15.571 -5.624 1.979 1.00 0.00 C ATOM 1186 CG ASN A 77 16.275 -4.290 2.096 1.00 0.00 C ATOM 1187 OD1 ASN A 77 17.126 -3.973 1.272 1.00 0.00 O ATOM 1188 ND2 ASN A 77 16.028 -3.535 3.140 1.00 0.00 N ATOM 0 H ASN A 77 15.630 -4.500 -0.566 1.00 0.00 H new ATOM 0 HA ASN A 77 14.388 -6.839 0.710 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.959 -5.772 2.869 1.00 0.00 H new ATOM 0 HB3 ASN A 77 16.323 -6.413 1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 77 16.548 -2.668 3.277 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.316 -3.815 3.815 1.00 0.00 H new ATOM 1195 N VAL A 78 12.487 -5.418 1.687 1.00 0.00 N ATOM 1196 CA VAL A 78 11.075 -5.082 1.599 1.00 0.00 C ATOM 1197 C VAL A 78 10.545 -4.823 3.019 1.00 0.00 C ATOM 1198 O VAL A 78 9.824 -5.626 3.616 1.00 0.00 O ATOM 1199 CB VAL A 78 10.308 -6.191 0.828 1.00 0.00 C ATOM 1200 CG1 VAL A 78 8.960 -5.632 0.365 1.00 0.00 C ATOM 1201 CG2 VAL A 78 11.074 -6.720 -0.399 1.00 0.00 C ATOM 0 H VAL A 78 12.702 -6.055 2.454 1.00 0.00 H new ATOM 0 HA VAL A 78 10.919 -4.168 1.025 1.00 0.00 H new ATOM 0 HB VAL A 78 10.182 -7.028 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.413 -6.403 -0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.379 -5.318 1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.126 -4.776 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.483 -7.492 -0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.255 -5.901 -1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.027 -7.142 -0.079 1.00 0.00 H new ATOM 1211 N GLU A 79 10.920 -3.674 3.569 1.00 0.00 N ATOM 1212 CA GLU A 79 10.807 -3.270 4.962 1.00 0.00 C ATOM 1213 C GLU A 79 9.449 -2.585 5.164 1.00 0.00 C ATOM 1214 O GLU A 79 9.336 -1.421 5.555 1.00 0.00 O ATOM 1215 CB GLU A 79 12.002 -2.353 5.282 1.00 0.00 C ATOM 1216 CG GLU A 79 13.382 -2.908 4.904 1.00 0.00 C ATOM 1217 CD GLU A 79 13.907 -4.047 5.776 1.00 0.00 C ATOM 1218 OE1 GLU A 79 13.208 -4.591 6.661 1.00 0.00 O ATOM 1219 OE2 GLU A 79 15.075 -4.436 5.546 1.00 0.00 O ATOM 0 H GLU A 79 11.347 -2.941 3.003 1.00 0.00 H new ATOM 0 HA GLU A 79 10.842 -4.117 5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.858 -1.404 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.997 -2.138 6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.341 -3.256 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.102 -2.090 4.937 1.00 0.00 H new ATOM 1227 N VAL A 80 8.384 -3.300 4.825 1.00 0.00 N ATOM 1228 CA VAL A 80 7.022 -2.798 4.902 1.00 0.00 C ATOM 1229 C VAL A 80 6.581 -2.900 6.365 1.00 0.00 C ATOM 1230 O VAL A 80 6.500 -3.992 6.929 1.00 0.00 O ATOM 1231 CB VAL A 80 6.130 -3.585 3.927 1.00 0.00 C ATOM 1232 CG1 VAL A 80 4.671 -3.138 4.024 1.00 0.00 C ATOM 1233 CG2 VAL A 80 6.592 -3.396 2.473 1.00 0.00 C ATOM 0 H VAL A 80 8.445 -4.259 4.484 1.00 0.00 H new ATOM 0 HA VAL A 80 6.944 -1.754 4.599 1.00 0.00 H new ATOM 0 HB VAL A 80 6.213 -4.635 4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.067 -3.713 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.306 -3.304 5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.598 -2.078 3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.942 -3.964 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.545 -2.339 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.617 -3.750 2.368 1.00 0.00 H new ATOM 1243 N GLU A 81 6.337 -1.764 7.002 1.00 0.00 N ATOM 1244 CA GLU A 81 5.843 -1.610 8.363 1.00 0.00 C ATOM 1245 C GLU A 81 4.302 -1.682 8.361 1.00 0.00 C ATOM 1246 O GLU A 81 3.677 -1.740 7.290 1.00 0.00 O ATOM 1247 CB GLU A 81 6.401 -0.267 8.868 1.00 0.00 C ATOM 1248 CG GLU A 81 6.269 -0.029 10.374 1.00 0.00 C ATOM 1249 CD GLU A 81 7.382 0.908 10.848 1.00 0.00 C ATOM 1250 OE1 GLU A 81 7.398 2.084 10.419 1.00 0.00 O ATOM 1251 OE2 GLU A 81 8.296 0.444 11.568 1.00 0.00 O ATOM 0 H GLU A 81 6.490 -0.863 6.550 1.00 0.00 H new ATOM 0 HA GLU A 81 6.171 -2.404 9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.455 -0.206 8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.890 0.540 8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.295 0.405 10.599 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.327 -0.977 10.908 1.00 0.00 H new ATOM 1259 N LEU A 82 3.666 -1.713 9.538 1.00 0.00 N ATOM 1260 CA LEU A 82 2.215 -1.770 9.683 1.00 0.00 C ATOM 1261 C LEU A 82 1.805 -0.894 10.869 1.00 0.00 C ATOM 1262 O LEU A 82 1.738 -1.341 12.012 1.00 0.00 O ATOM 1263 CB LEU A 82 1.763 -3.231 9.797 1.00 0.00 C ATOM 1264 CG LEU A 82 0.248 -3.391 9.981 1.00 0.00 C ATOM 1265 CD1 LEU A 82 -0.600 -2.599 8.980 1.00 0.00 C ATOM 1266 CD2 LEU A 82 -0.112 -4.862 9.835 1.00 0.00 C ATOM 0 H LEU A 82 4.159 -1.699 10.431 1.00 0.00 H new ATOM 0 HA LEU A 82 1.709 -1.370 8.804 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.071 -3.769 8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.274 -3.696 10.640 1.00 0.00 H new ATOM 0 HG LEU A 82 0.023 -2.997 10.972 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.657 -2.770 9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.379 -1.536 9.077 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.367 -2.927 7.967 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.187 -4.988 9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.178 -5.211 8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.415 -5.442 10.592 1.00 0.00 H new ATOM 1278 N THR A 83 1.596 0.384 10.578 1.00 0.00 N ATOM 1279 CA THR A 83 1.560 1.458 11.555 1.00 0.00 C ATOM 1280 C THR A 83 0.154 1.609 12.144 1.00 0.00 C ATOM 1281 O THR A 83 -0.683 2.314 11.576 1.00 0.00 O ATOM 1282 CB THR A 83 2.012 2.745 10.845 1.00 0.00 C ATOM 1283 OG1 THR A 83 3.112 2.527 9.969 1.00 0.00 O ATOM 1284 CG2 THR A 83 2.374 3.809 11.866 1.00 0.00 C ATOM 0 H THR A 83 1.442 0.709 9.623 1.00 0.00 H new ATOM 0 HA THR A 83 2.227 1.240 12.389 1.00 0.00 H new ATOM 0 HB THR A 83 1.172 3.084 10.238 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.795 2.101 9.145 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.692 4.715 11.350 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.504 4.030 12.485 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.186 3.447 12.497 1.00 0.00 H new ATOM 1292 N PHE A 84 -0.140 0.954 13.268 1.00 0.00 N ATOM 1293 CA PHE A 84 -1.528 0.742 13.677 1.00 0.00 C ATOM 1294 C PHE A 84 -1.961 1.678 14.807 1.00 0.00 C ATOM 1295 O PHE A 84 -3.160 1.764 15.064 1.00 0.00 O ATOM 1296 CB PHE A 84 -1.759 -0.731 14.054 1.00 0.00 C ATOM 1297 CG PHE A 84 -2.739 -1.457 13.141 1.00 0.00 C ATOM 1298 CD1 PHE A 84 -4.045 -0.967 12.931 1.00 0.00 C ATOM 1299 CD2 PHE A 84 -2.326 -2.624 12.477 1.00 0.00 C ATOM 1300 CE1 PHE A 84 -4.906 -1.620 12.034 1.00 0.00 C ATOM 1301 CE2 PHE A 84 -3.187 -3.273 11.577 1.00 0.00 C ATOM 1302 CZ PHE A 84 -4.481 -2.777 11.359 1.00 0.00 C ATOM 0 H PHE A 84 0.556 0.565 13.905 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.156 0.987 12.820 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.803 -1.255 14.034 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.128 -0.780 15.078 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.383 -0.089 13.461 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.340 -3.025 12.660 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.899 -1.231 11.862 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.852 -4.155 11.052 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.148 -3.282 10.676 1.00 0.00 H new ATOM 1312 N ASP A 85 -1.040 2.410 15.442 1.00 0.00 N ATOM 1313 CA ASP A 85 -1.434 3.435 16.417 1.00 0.00 C ATOM 1314 C ASP A 85 -2.281 4.537 15.807 1.00 0.00 C ATOM 1315 O ASP A 85 -3.421 4.729 16.250 1.00 0.00 O ATOM 1316 CB ASP A 85 -0.237 4.085 17.127 1.00 0.00 C ATOM 1317 CG ASP A 85 -0.319 4.098 18.652 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -1.306 4.646 19.193 1.00 0.00 O ATOM 1319 OD2 ASP A 85 0.691 3.773 19.300 1.00 0.00 O ATOM 0 H ASP A 85 -0.034 2.316 15.303 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.028 2.888 17.149 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.671 3.559 16.832 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.139 5.112 16.775 1.00 0.00 H new ATOM 1325 N PRO A 86 -1.802 5.233 14.757 1.00 0.00 N ATOM 1326 CA PRO A 86 -2.508 6.417 14.342 1.00 0.00 C ATOM 1327 C PRO A 86 -3.763 5.997 13.566 1.00 0.00 C ATOM 1328 O PRO A 86 -3.761 4.973 12.873 1.00 0.00 O ATOM 1329 CB PRO A 86 -1.525 7.240 13.518 1.00 0.00 C ATOM 1330 CG PRO A 86 -0.593 6.182 12.941 1.00 0.00 C ATOM 1331 CD PRO A 86 -0.541 5.124 14.039 1.00 0.00 C ATOM 0 HA PRO A 86 -2.857 7.028 15.175 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.029 7.805 12.734 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.986 7.960 14.134 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.978 5.773 12.007 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.395 6.589 12.728 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.417 4.127 13.616 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.304 5.294 14.706 1.00 0.00 H new ATOM 1339 N PRO A 87 -4.850 6.762 13.663 1.00 0.00 N ATOM 1340 CA PRO A 87 -6.041 6.565 12.850 1.00 0.00 C ATOM 1341 C PRO A 87 -5.724 7.001 11.411 1.00 0.00 C ATOM 1342 O PRO A 87 -5.105 8.052 11.215 1.00 0.00 O ATOM 1343 CB PRO A 87 -7.098 7.425 13.556 1.00 0.00 C ATOM 1344 CG PRO A 87 -6.314 8.554 14.216 1.00 0.00 C ATOM 1345 CD PRO A 87 -4.986 7.893 14.559 1.00 0.00 C ATOM 0 HA PRO A 87 -6.393 5.537 12.764 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.828 7.814 12.846 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.650 6.844 14.295 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.181 9.401 13.543 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.819 8.930 15.105 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.159 8.592 14.431 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.971 7.569 15.599 1.00 0.00 H new ATOM 1353 N TRP A 88 -6.113 6.188 10.411 1.00 0.00 N ATOM 1354 CA TRP A 88 -5.914 6.519 9.001 1.00 0.00 C ATOM 1355 C TRP A 88 -6.984 7.552 8.604 1.00 0.00 C ATOM 1356 O TRP A 88 -6.859 8.682 9.077 1.00 0.00 O ATOM 1357 CB TRP A 88 -5.805 5.205 8.184 1.00 0.00 C ATOM 1358 CG TRP A 88 -6.297 5.165 6.770 1.00 0.00 C ATOM 1359 CD1 TRP A 88 -5.640 5.553 5.652 1.00 0.00 C ATOM 1360 CD2 TRP A 88 -7.570 4.631 6.313 1.00 0.00 C ATOM 1361 NE1 TRP A 88 -6.459 5.375 4.552 1.00 0.00 N ATOM 1362 CE2 TRP A 88 -7.646 4.768 4.899 1.00 0.00 C ATOM 1363 CE3 TRP A 88 -8.685 4.066 6.969 1.00 0.00 C ATOM 1364 CZ2 TRP A 88 -8.762 4.344 4.170 1.00 0.00 C ATOM 1365 CZ3 TRP A 88 -9.813 3.646 6.247 1.00 0.00 C ATOM 1366 CH2 TRP A 88 -9.848 3.781 4.849 1.00 0.00 C ATOM 0 H TRP A 88 -6.571 5.290 10.564 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.971 7.018 8.778 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.754 4.916 8.171 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.341 4.433 8.737 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.633 5.941 5.623 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.215 5.658 3.603 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.670 3.955 8.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.785 4.450 3.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -10.657 3.218 6.768 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.715 3.449 4.297 1.00 0.00 H new ATOM 1377 N THR A 89 -8.083 7.216 7.916 1.00 0.00 N ATOM 1378 CA THR A 89 -9.229 8.074 7.530 1.00 0.00 C ATOM 1379 C THR A 89 -10.108 7.333 6.493 1.00 0.00 C ATOM 1380 O THR A 89 -9.687 7.227 5.344 1.00 0.00 O ATOM 1381 CB THR A 89 -8.828 9.476 6.972 1.00 0.00 C ATOM 1382 OG1 THR A 89 -7.493 9.564 6.514 1.00 0.00 O ATOM 1383 CG2 THR A 89 -9.009 10.625 7.963 1.00 0.00 C ATOM 0 H THR A 89 -8.212 6.260 7.584 1.00 0.00 H new ATOM 0 HA THR A 89 -9.783 8.265 8.449 1.00 0.00 H new ATOM 0 HB THR A 89 -9.523 9.578 6.139 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.063 10.352 6.908 1.00 0.00 H new ATOM 0 HG21 THR A 89 -8.707 11.561 7.494 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.056 10.689 8.259 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.393 10.446 8.844 1.00 0.00 H new ATOM 1391 N PRO A 90 -11.313 6.820 6.806 1.00 0.00 N ATOM 1392 CA PRO A 90 -12.148 6.128 5.814 1.00 0.00 C ATOM 1393 C PRO A 90 -12.601 7.025 4.660 1.00 0.00 C ATOM 1394 O PRO A 90 -12.906 6.530 3.573 1.00 0.00 O ATOM 1395 CB PRO A 90 -13.300 5.502 6.603 1.00 0.00 C ATOM 1396 CG PRO A 90 -13.401 6.371 7.854 1.00 0.00 C ATOM 1397 CD PRO A 90 -11.970 6.850 8.100 1.00 0.00 C ATOM 0 HA PRO A 90 -11.577 5.358 5.295 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -14.228 5.514 6.032 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.094 4.462 6.854 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.080 7.210 7.702 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -13.781 5.803 8.703 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.961 7.856 8.519 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.459 6.203 8.813 1.00 0.00 H new ATOM 1405 N GLU A 91 -12.574 8.343 4.842 1.00 0.00 N ATOM 1406 CA GLU A 91 -12.843 9.309 3.788 1.00 0.00 C ATOM 1407 C GLU A 91 -11.665 9.491 2.817 1.00 0.00 C ATOM 1408 O GLU A 91 -11.778 10.278 1.876 1.00 0.00 O ATOM 1409 CB GLU A 91 -13.355 10.643 4.364 1.00 0.00 C ATOM 1410 CG GLU A 91 -12.285 11.533 5.011 1.00 0.00 C ATOM 1411 CD GLU A 91 -12.054 11.263 6.501 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -12.074 10.087 6.932 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -11.841 12.254 7.242 1.00 0.00 O ATOM 0 H GLU A 91 -12.361 8.773 5.742 1.00 0.00 H new ATOM 0 HA GLU A 91 -13.647 8.893 3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.835 11.205 3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.123 10.428 5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.344 11.394 4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.572 12.577 4.884 1.00 0.00 H new ATOM 1421 N ARG A 92 -10.535 8.787 2.996 1.00 0.00 N ATOM 1422 CA ARG A 92 -9.490 8.751 1.965 1.00 0.00 C ATOM 1423 C ARG A 92 -9.976 8.028 0.715 1.00 0.00 C ATOM 1424 O ARG A 92 -9.464 8.331 -0.364 1.00 0.00 O ATOM 1425 CB ARG A 92 -8.197 8.087 2.464 1.00 0.00 C ATOM 1426 CG ARG A 92 -7.565 8.817 3.653 1.00 0.00 C ATOM 1427 CD ARG A 92 -6.057 9.049 3.557 1.00 0.00 C ATOM 1428 NE ARG A 92 -5.627 10.200 4.359 1.00 0.00 N ATOM 1429 CZ ARG A 92 -4.598 10.992 4.041 1.00 0.00 C ATOM 1430 NH1 ARG A 92 -3.713 10.629 3.114 1.00 0.00 N ATOM 1431 NH2 ARG A 92 -4.472 12.172 4.631 1.00 0.00 N ATOM 0 H ARG A 92 -10.325 8.243 3.833 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.267 9.790 1.722 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.412 7.057 2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.478 8.047 1.646 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.057 9.783 3.767 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.770 8.246 4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.530 8.156 3.893 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.780 9.209 2.515 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.145 10.409 5.212 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.815 9.735 2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.934 11.246 2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.158 12.472 5.324 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.689 12.780 4.392 1.00 0.00 H new ATOM 1445 N MET A 93 -10.934 7.109 0.856 1.00 0.00 N ATOM 1446 CA MET A 93 -11.604 6.474 -0.267 1.00 0.00 C ATOM 1447 C MET A 93 -12.484 7.490 -1.002 1.00 0.00 C ATOM 1448 O MET A 93 -12.895 8.504 -0.434 1.00 0.00 O ATOM 1449 CB MET A 93 -12.497 5.338 0.248 1.00 0.00 C ATOM 1450 CG MET A 93 -11.699 4.163 0.814 1.00 0.00 C ATOM 1451 SD MET A 93 -12.700 2.699 1.218 1.00 0.00 S ATOM 1452 CE MET A 93 -13.905 3.361 2.403 1.00 0.00 C ATOM 0 H MET A 93 -11.265 6.786 1.765 1.00 0.00 H new ATOM 0 HA MET A 93 -10.849 6.084 -0.949 1.00 0.00 H new ATOM 0 HB2 MET A 93 -13.160 5.726 1.021 1.00 0.00 H new ATOM 0 HB3 MET A 93 -13.129 4.983 -0.566 1.00 0.00 H new ATOM 0 HG2 MET A 93 -10.935 3.877 0.091 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.180 4.492 1.714 1.00 0.00 H new ATOM 0 HE1 MET A 93 -14.505 2.545 2.806 1.00 0.00 H new ATOM 0 HE2 MET A 93 -13.379 3.860 3.217 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.556 4.076 1.899 1.00 0.00 H new ATOM 1462 N SER A 94 -12.845 7.178 -2.246 1.00 0.00 N ATOM 1463 CA SER A 94 -13.760 7.967 -3.058 1.00 0.00 C ATOM 1464 C SER A 94 -15.141 8.131 -2.412 1.00 0.00 C ATOM 1465 O SER A 94 -15.570 7.257 -1.652 1.00 0.00 O ATOM 1466 CB SER A 94 -13.906 7.286 -4.417 1.00 0.00 C ATOM 1467 OG SER A 94 -12.639 7.045 -4.997 1.00 0.00 O ATOM 0 H SER A 94 -12.498 6.347 -2.726 1.00 0.00 H new ATOM 0 HA SER A 94 -13.342 8.969 -3.159 1.00 0.00 H new ATOM 0 HB2 SER A 94 -14.443 6.344 -4.301 1.00 0.00 H new ATOM 0 HB3 SER A 94 -14.501 7.913 -5.081 1.00 0.00 H new ATOM 0 HG SER A 94 -12.755 6.607 -5.866 1.00 0.00 H new ATOM 1473 N PRO A 95 -15.890 9.185 -2.785 1.00 0.00 N ATOM 1474 CA PRO A 95 -17.228 9.446 -2.259 1.00 0.00 C ATOM 1475 C PRO A 95 -18.211 8.302 -2.504 1.00 0.00 C ATOM 1476 O PRO A 95 -19.039 8.035 -1.643 1.00 0.00 O ATOM 1477 CB PRO A 95 -17.689 10.764 -2.888 1.00 0.00 C ATOM 1478 CG PRO A 95 -16.764 10.962 -4.083 1.00 0.00 C ATOM 1479 CD PRO A 95 -15.476 10.275 -3.656 1.00 0.00 C ATOM 0 HA PRO A 95 -17.195 9.524 -1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -18.733 10.712 -3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -17.607 11.590 -2.182 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -17.176 10.515 -4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.603 12.019 -4.295 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.925 9.901 -4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -14.816 10.967 -3.133 1.00 0.00 H new ATOM 1487 N GLU A 96 -18.066 7.547 -3.598 1.00 0.00 N ATOM 1488 CA GLU A 96 -18.955 6.422 -3.877 1.00 0.00 C ATOM 1489 C GLU A 96 -18.785 5.361 -2.794 1.00 0.00 C ATOM 1490 O GLU A 96 -19.761 4.752 -2.358 1.00 0.00 O ATOM 1491 CB GLU A 96 -18.641 5.791 -5.238 1.00 0.00 C ATOM 1492 CG GLU A 96 -19.005 6.706 -6.412 1.00 0.00 C ATOM 1493 CD GLU A 96 -18.745 6.056 -7.774 1.00 0.00 C ATOM 1494 OE1 GLU A 96 -18.449 4.843 -7.861 1.00 0.00 O ATOM 1495 OE2 GLU A 96 -18.777 6.789 -8.789 1.00 0.00 O ATOM 0 H GLU A 96 -17.342 7.697 -4.301 1.00 0.00 H new ATOM 0 HA GLU A 96 -19.979 6.795 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -17.579 5.550 -5.286 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -19.185 4.851 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.058 6.980 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -18.430 7.629 -6.339 1.00 0.00 H new ATOM 1503 N LEU A 97 -17.542 5.137 -2.351 1.00 0.00 N ATOM 1504 CA LEU A 97 -17.270 4.191 -1.290 1.00 0.00 C ATOM 1505 C LEU A 97 -17.654 4.771 0.061 1.00 0.00 C ATOM 1506 O LEU A 97 -18.154 4.032 0.897 1.00 0.00 O ATOM 1507 CB LEU A 97 -15.802 3.756 -1.247 1.00 0.00 C ATOM 1508 CG LEU A 97 -15.300 2.925 -2.441 1.00 0.00 C ATOM 1509 CD1 LEU A 97 -13.973 2.287 -2.035 1.00 0.00 C ATOM 1510 CD2 LEU A 97 -16.256 1.802 -2.852 1.00 0.00 C ATOM 0 H LEU A 97 -16.714 5.605 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 97 -17.876 3.311 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -15.183 4.650 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -15.644 3.177 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 97 -15.210 3.599 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -13.589 1.689 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.254 3.068 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.128 1.648 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -15.837 1.259 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -16.394 1.118 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -17.218 2.229 -3.135 1.00 0.00 H new ATOM 1522 N ARG A 98 -17.459 6.070 0.291 1.00 0.00 N ATOM 1523 CA ARG A 98 -17.893 6.711 1.530 1.00 0.00 C ATOM 1524 C ARG A 98 -19.391 6.496 1.717 1.00 0.00 C ATOM 1525 O ARG A 98 -19.807 6.059 2.786 1.00 0.00 O ATOM 1526 CB ARG A 98 -17.521 8.198 1.520 1.00 0.00 C ATOM 1527 CG ARG A 98 -16.003 8.401 1.663 1.00 0.00 C ATOM 1528 CD ARG A 98 -15.516 9.760 1.146 1.00 0.00 C ATOM 1529 NE ARG A 98 -16.282 10.890 1.696 1.00 0.00 N ATOM 1530 CZ ARG A 98 -15.842 12.148 1.771 1.00 0.00 C ATOM 1531 NH1 ARG A 98 -14.688 12.512 1.227 1.00 0.00 N ATOM 1532 NH2 ARG A 98 -16.578 13.044 2.411 1.00 0.00 N ATOM 0 H ARG A 98 -17.001 6.700 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.380 6.259 2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -17.864 8.654 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -18.036 8.708 2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -15.728 8.301 2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -15.486 7.609 1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.463 9.884 1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -15.586 9.775 0.058 1.00 0.00 H new ATOM 0 HE ARG A 98 -17.220 10.697 2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.115 11.824 0.738 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.374 13.480 1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.463 12.767 2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -16.259 14.011 2.480 1.00 0.00 H new ATOM 1546 N GLU A 99 -20.175 6.724 0.665 1.00 0.00 N ATOM 1547 CA GLU A 99 -21.608 6.466 0.649 1.00 0.00 C ATOM 1548 C GLU A 99 -21.890 4.973 0.868 1.00 0.00 C ATOM 1549 O GLU A 99 -22.741 4.641 1.696 1.00 0.00 O ATOM 1550 CB GLU A 99 -22.202 6.982 -0.671 1.00 0.00 C ATOM 1551 CG GLU A 99 -22.266 8.517 -0.673 1.00 0.00 C ATOM 1552 CD GLU A 99 -22.642 9.093 -2.038 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -21.847 9.877 -2.603 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -23.777 8.853 -2.517 1.00 0.00 O ATOM 0 H GLU A 99 -19.823 7.100 -0.215 1.00 0.00 H new ATOM 0 HA GLU A 99 -22.089 7.000 1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -21.595 6.637 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -23.202 6.571 -0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -22.994 8.847 0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -21.299 8.917 -0.369 1.00 0.00 H new ATOM 1562 N LYS A 100 -21.175 4.074 0.175 1.00 0.00 N ATOM 1563 CA LYS A 100 -21.375 2.627 0.295 1.00 0.00 C ATOM 1564 C LYS A 100 -21.168 2.149 1.730 1.00 0.00 C ATOM 1565 O LYS A 100 -22.018 1.440 2.270 1.00 0.00 O ATOM 1566 CB LYS A 100 -20.454 1.852 -0.668 1.00 0.00 C ATOM 1567 CG LYS A 100 -20.966 0.422 -0.907 1.00 0.00 C ATOM 1568 CD LYS A 100 -19.865 -0.568 -1.304 1.00 0.00 C ATOM 1569 CE LYS A 100 -19.103 -0.138 -2.565 1.00 0.00 C ATOM 1570 NZ LYS A 100 -18.185 -1.196 -3.043 1.00 0.00 N ATOM 0 H LYS A 100 -20.441 4.333 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 100 -22.409 2.423 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -20.392 2.381 -1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -19.445 1.815 -0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -21.455 0.064 -0.001 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -21.723 0.443 -1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.161 -0.672 -0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -20.309 -1.550 -1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.815 0.108 -3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.535 0.768 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -17.690 -0.866 -3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -17.490 -1.414 -2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.730 -2.053 -3.268 1.00 0.00 H new ATOM 1584 N PHE A 101 -20.010 2.463 2.309 1.00 0.00 N ATOM 1585 CA PHE A 101 -19.620 2.014 3.635 1.00 0.00 C ATOM 1586 C PHE A 101 -20.309 2.810 4.747 1.00 0.00 C ATOM 1587 O PHE A 101 -20.357 2.332 5.882 1.00 0.00 O ATOM 1588 CB PHE A 101 -18.092 2.061 3.748 1.00 0.00 C ATOM 1589 CG PHE A 101 -17.408 0.902 3.039 1.00 0.00 C ATOM 1590 CD1 PHE A 101 -17.114 0.953 1.662 1.00 0.00 C ATOM 1591 CD2 PHE A 101 -17.089 -0.260 3.763 1.00 0.00 C ATOM 1592 CE1 PHE A 101 -16.496 -0.136 1.023 1.00 0.00 C ATOM 1593 CE2 PHE A 101 -16.460 -1.346 3.131 1.00 0.00 C ATOM 1594 CZ PHE A 101 -16.170 -1.286 1.759 1.00 0.00 C ATOM 0 H PHE A 101 -19.307 3.048 1.857 1.00 0.00 H new ATOM 0 HA PHE A 101 -19.953 0.985 3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -17.731 3.000 3.329 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -17.811 2.053 4.801 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -17.365 1.836 1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -17.329 -0.319 4.814 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -16.272 -0.088 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -16.200 -2.226 3.700 1.00 0.00 H new ATOM 0 HZ PHE A 101 -15.696 -2.124 1.270 1.00 0.00 H new ATOM 1604 N GLY A 102 -20.857 3.992 4.458 1.00 0.00 N ATOM 1605 CA GLY A 102 -21.727 4.729 5.368 1.00 0.00 C ATOM 1606 C GLY A 102 -20.963 5.695 6.268 1.00 0.00 C ATOM 1607 O GLY A 102 -21.400 5.961 7.389 1.00 0.00 O ATOM 0 H GLY A 102 -20.704 4.469 3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -22.463 5.286 4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -22.278 4.022 5.988 1.00 0.00 H new ATOM 1611 N VAL A 103 -19.834 6.214 5.779 1.00 0.00 N ATOM 1612 CA VAL A 103 -18.964 7.160 6.469 1.00 0.00 C ATOM 1613 C VAL A 103 -19.777 8.397 6.829 1.00 0.00 C ATOM 1614 O VAL A 103 -20.406 8.991 5.927 1.00 0.00 O ATOM 1615 CB VAL A 103 -17.737 7.453 5.578 1.00 0.00 C ATOM 1616 CG1 VAL A 103 -16.719 8.346 6.293 1.00 0.00 C ATOM 1617 CG2 VAL A 103 -17.010 6.155 5.173 1.00 0.00 C ATOM 0 H VAL A 103 -19.489 5.973 4.850 1.00 0.00 H new ATOM 0 HA VAL A 103 -18.578 6.754 7.404 1.00 0.00 H new ATOM 0 HB VAL A 103 -18.124 7.960 4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -15.870 8.530 5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -17.188 9.295 6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -16.374 7.850 7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -16.152 6.399 4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.670 5.634 6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.694 5.513 4.618 1.00 0.00 H new