USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 960 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 32 LYS NZ :NH3+ -150:sc= -0.785 (180deg=0) USER MOD Set 1.2: A 100 GLN : amide:sc= -2.46 K(o=-3.2,f=-4.7!) USER MOD Single : A 3 LYS NZ :NH3+ 156:sc= -0.142 (180deg=-0.491) USER MOD Single : A 5 GLN : amide:sc= -0.237 K(o=-0.24,f=-1) USER MOD Single : A 13 ASN : amide:sc= -13.5! C(o=-14!,f=-14!) USER MOD Single : A 15 ASN : amide:sc= -0.955 X(o=-0.95,f=-0.71) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 74:sc= 0.426 USER MOD Single : A 31 ASN : amide:sc= -2.43 X(o=-2.4,f=-2.4!) USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= -0.226 (180deg=-0.699) USER MOD Single : A 42 MET CE :methyl 158:sc= -0.398 (180deg=-1.4!) USER MOD Single : A 45 THR OG1 : rot -160:sc= -0.636 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 63 GLN : amide:sc= -1.03 K(o=-1,f=-4.6!) USER MOD Single : A 64 HIS : no HD1:sc= -13.8! C(o=-14!,f=-11!) USER MOD Single : A 66 SER OG : rot 180:sc=-0.00598 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.456 K(o=-0.46,f=-1.8) USER MOD Single : A 81 THR OG1 : rot -140:sc= -0.257 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -129:sc= -0.578 (180deg=-1.06) USER MOD Single : A 106 SER OG : rot 40:sc= 0.162 USER MOD Single : A 111 ASN : amide:sc= -4.57 K(o=-4.6,f=-2.4) USER MOD Single : A 119 ASN : amide:sc= -9.8! C(o=-9.8!,f=-7!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0183) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -6.597 -18.672 -0.663 1.00 0.00 N ATOM 43 CA LYS A 3 -5.524 -17.741 -0.332 1.00 0.00 C ATOM 44 C LYS A 3 -5.544 -16.541 -1.269 1.00 0.00 C ATOM 45 O LYS A 3 -5.768 -16.687 -2.471 1.00 0.00 O ATOM 46 CB LYS A 3 -4.166 -18.442 -0.407 1.00 0.00 C ATOM 47 CG LYS A 3 -3.806 -18.922 -1.805 1.00 0.00 C ATOM 48 CD LYS A 3 -2.938 -17.909 -2.536 1.00 0.00 C ATOM 49 CE LYS A 3 -1.594 -17.726 -1.849 1.00 0.00 C ATOM 50 NZ LYS A 3 -0.986 -19.029 -1.458 1.00 0.00 N ATOM 0 HA LYS A 3 -5.683 -17.389 0.687 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.393 -17.758 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.169 -19.295 0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.279 -19.874 -1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.717 -19.101 -2.375 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.781 -18.238 -3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.457 -16.951 -2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.915 -17.195 -2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.721 -17.105 -0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.045 -18.921 -1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.374 -19.332 -0.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.205 -19.745 -2.180 1.00 0.00 H new ATOM 64 N LEU A 4 -5.294 -15.355 -0.720 1.00 0.00 N ATOM 65 CA LEU A 4 -5.270 -14.132 -1.510 1.00 0.00 C ATOM 66 C LEU A 4 -4.256 -13.150 -0.924 1.00 0.00 C ATOM 67 O LEU A 4 -4.374 -12.758 0.237 1.00 0.00 O ATOM 68 CB LEU A 4 -6.663 -13.502 -1.544 1.00 0.00 C ATOM 69 CG LEU A 4 -7.225 -13.097 -0.181 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.865 -11.655 0.136 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.733 -13.292 -0.145 1.00 0.00 C ATOM 0 H LEU A 4 -5.105 -15.217 0.273 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.972 -14.374 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.630 -12.619 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.352 -14.207 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.779 -13.738 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.273 -11.384 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.781 -11.546 0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.283 -10.999 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.115 -12.998 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.198 -12.677 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.969 -14.341 -0.327 1.00 0.00 H new ATOM 83 N GLN A 5 -3.255 -12.760 -1.709 1.00 0.00 N ATOM 84 CA GLN A 5 -2.230 -11.837 -1.233 1.00 0.00 C ATOM 85 C GLN A 5 -2.468 -10.425 -1.761 1.00 0.00 C ATOM 86 O GLN A 5 -3.072 -10.237 -2.816 1.00 0.00 O ATOM 87 CB GLN A 5 -0.848 -12.315 -1.685 1.00 0.00 C ATOM 88 CG GLN A 5 -0.700 -13.825 -1.694 1.00 0.00 C ATOM 89 CD GLN A 5 0.586 -14.281 -2.358 1.00 0.00 C ATOM 90 OE1 GLN A 5 0.589 -15.231 -3.141 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.686 -13.605 -2.047 1.00 0.00 N ATOM 0 H GLN A 5 -3.132 -13.068 -2.674 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.280 -11.815 -0.144 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.650 -11.933 -2.687 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.092 -11.888 -1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.726 -14.195 -0.669 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.550 -14.267 -2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.637 -12.824 -1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.580 -13.867 -2.462 1.00 0.00 H new ATOM 100 N ILE A 6 -1.986 -9.439 -1.013 1.00 0.00 N ATOM 101 CA ILE A 6 -2.121 -8.032 -1.367 1.00 0.00 C ATOM 102 C ILE A 6 -0.867 -7.294 -0.901 1.00 0.00 C ATOM 103 O ILE A 6 -0.359 -7.574 0.182 1.00 0.00 O ATOM 104 CB ILE A 6 -3.362 -7.405 -0.702 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.638 -8.090 -1.194 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.415 -5.911 -0.973 1.00 0.00 C ATOM 107 CD1 ILE A 6 -5.221 -9.060 -0.190 1.00 0.00 C ATOM 0 H ILE A 6 -1.487 -9.595 -0.137 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.240 -7.948 -2.447 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.288 -7.554 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.383 -7.330 -1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.422 -8.622 -2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.298 -5.486 -0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.520 -5.436 -0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.465 -5.738 -2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.124 -9.511 -0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.492 -9.841 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.467 -8.528 0.729 1.00 0.00 H new ATOM 119 N ALA A 7 -0.365 -6.345 -1.687 1.00 0.00 N ATOM 120 CA ALA A 7 0.818 -5.594 -1.278 1.00 0.00 C ATOM 121 C ALA A 7 0.533 -4.113 -1.361 1.00 0.00 C ATOM 122 O ALA A 7 0.142 -3.642 -2.411 1.00 0.00 O ATOM 123 CB ALA A 7 2.010 -5.954 -2.153 1.00 0.00 C ATOM 0 H ALA A 7 -0.750 -6.081 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 7 1.062 -5.854 -0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.882 -5.384 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.220 -7.020 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.783 -5.717 -3.192 1.00 0.00 H new ATOM 129 N VAL A 8 0.721 -3.373 -0.277 1.00 0.00 N ATOM 130 CA VAL A 8 0.448 -1.938 -0.308 1.00 0.00 C ATOM 131 C VAL A 8 1.633 -1.120 0.181 1.00 0.00 C ATOM 132 O VAL A 8 2.424 -1.570 1.004 1.00 0.00 O ATOM 133 CB VAL A 8 -0.823 -1.574 0.503 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.250 -2.724 1.405 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.620 -0.302 1.314 1.00 0.00 C ATOM 0 H VAL A 8 1.054 -3.730 0.618 1.00 0.00 H new ATOM 0 HA VAL A 8 0.271 -1.685 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.623 -1.390 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.143 -2.438 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.466 -3.602 0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.447 -2.956 2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.530 -0.076 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.206 -0.443 2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.390 0.525 0.642 1.00 0.00 H new ATOM 145 N GLY A 9 1.750 0.087 -0.354 1.00 0.00 N ATOM 146 CA GLY A 9 2.844 0.954 0.024 1.00 0.00 C ATOM 147 C GLY A 9 2.454 2.417 0.107 1.00 0.00 C ATOM 148 O GLY A 9 1.702 2.922 -0.725 1.00 0.00 O ATOM 0 H GLY A 9 1.107 0.480 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.233 0.634 0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.653 0.842 -0.698 1.00 0.00 H new ATOM 152 N ILE A 10 3.005 3.098 1.103 1.00 0.00 N ATOM 153 CA ILE A 10 2.765 4.518 1.307 1.00 0.00 C ATOM 154 C ILE A 10 3.929 5.290 0.687 1.00 0.00 C ATOM 155 O ILE A 10 5.074 5.082 1.075 1.00 0.00 O ATOM 156 CB ILE A 10 2.640 4.864 2.815 1.00 0.00 C ATOM 157 CG1 ILE A 10 3.220 3.753 3.710 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.190 5.150 3.181 1.00 0.00 C ATOM 159 CD1 ILE A 10 2.356 2.512 3.808 1.00 0.00 C ATOM 0 H ILE A 10 3.631 2.680 1.792 1.00 0.00 H new ATOM 0 HA ILE A 10 1.823 4.794 0.833 1.00 0.00 H new ATOM 0 HB ILE A 10 3.229 5.764 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.200 3.469 3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.374 4.154 4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.123 5.390 4.242 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.826 5.993 2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.581 4.271 2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.840 1.782 4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.383 2.778 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.223 2.082 2.815 1.00 0.00 H new ATOM 171 N ILE A 11 3.647 6.153 -0.294 1.00 0.00 N ATOM 172 CA ILE A 11 4.712 6.898 -0.973 1.00 0.00 C ATOM 173 C ILE A 11 5.143 8.159 -0.235 1.00 0.00 C ATOM 174 O ILE A 11 4.396 9.130 -0.135 1.00 0.00 O ATOM 175 CB ILE A 11 4.329 7.293 -2.410 1.00 0.00 C ATOM 176 CG1 ILE A 11 3.423 6.233 -3.040 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.593 7.490 -3.241 1.00 0.00 C ATOM 178 CD1 ILE A 11 3.432 6.259 -4.551 1.00 0.00 C ATOM 0 H ILE A 11 2.705 6.351 -0.632 1.00 0.00 H new ATOM 0 HA ILE A 11 5.550 6.201 -0.989 1.00 0.00 H new ATOM 0 HB ILE A 11 3.774 8.231 -2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.738 5.247 -2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.402 6.381 -2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.320 7.770 -4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.200 8.280 -2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.164 6.562 -3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.769 5.482 -4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.089 7.233 -4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.445 6.081 -4.912 1.00 0.00 H new ATOM 190 N ARG A 12 6.363 8.122 0.272 1.00 0.00 N ATOM 191 CA ARG A 12 6.928 9.251 1.011 1.00 0.00 C ATOM 192 C ARG A 12 7.457 10.296 0.040 1.00 0.00 C ATOM 193 O ARG A 12 7.823 9.965 -1.085 1.00 0.00 O ATOM 194 CB ARG A 12 8.054 8.783 1.934 1.00 0.00 C ATOM 195 CG ARG A 12 7.604 8.526 3.361 1.00 0.00 C ATOM 196 CD ARG A 12 7.895 9.717 4.259 1.00 0.00 C ATOM 197 NE ARG A 12 9.255 9.682 4.793 1.00 0.00 N ATOM 198 CZ ARG A 12 9.637 8.892 5.794 1.00 0.00 C ATOM 199 NH1 ARG A 12 8.767 8.073 6.372 1.00 0.00 N ATOM 200 NH2 ARG A 12 10.893 8.923 6.219 1.00 0.00 N ATOM 0 H ARG A 12 6.988 7.321 0.188 1.00 0.00 H new ATOM 0 HA ARG A 12 6.140 9.693 1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.488 7.869 1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.843 9.535 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.535 8.312 3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.111 7.643 3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.750 10.639 3.696 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.182 9.732 5.084 1.00 0.00 H new ATOM 0 HE ARG A 12 9.952 10.298 4.375 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.800 8.047 6.050 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.066 7.470 7.139 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.565 9.552 5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.187 8.318 6.986 1.00 0.00 H new ATOM 214 N ASN A 13 7.518 11.555 0.476 1.00 0.00 N ATOM 215 CA ASN A 13 8.035 12.623 -0.378 1.00 0.00 C ATOM 216 C ASN A 13 9.047 13.511 0.346 1.00 0.00 C ATOM 217 O ASN A 13 9.424 13.268 1.493 1.00 0.00 O ATOM 218 CB ASN A 13 6.905 13.495 -0.936 1.00 0.00 C ATOM 219 CG ASN A 13 5.787 13.724 0.055 1.00 0.00 C ATOM 220 OD1 ASN A 13 4.888 12.899 0.192 1.00 0.00 O ATOM 221 ND2 ASN A 13 5.836 14.852 0.753 1.00 0.00 N ATOM 0 H ASN A 13 7.220 11.857 1.404 1.00 0.00 H new ATOM 0 HA ASN A 13 8.545 12.125 -1.202 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.314 14.458 -1.241 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.498 13.023 -1.831 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.108 15.061 1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.602 15.509 0.607 1.00 0.00 H new ATOM 228 N GLU A 14 9.463 14.549 -0.369 1.00 0.00 N ATOM 229 CA GLU A 14 10.419 15.530 0.124 1.00 0.00 C ATOM 230 C GLU A 14 10.035 16.041 1.504 1.00 0.00 C ATOM 231 O GLU A 14 10.847 16.073 2.428 1.00 0.00 O ATOM 232 CB GLU A 14 10.478 16.705 -0.854 1.00 0.00 C ATOM 233 CG GLU A 14 11.388 17.837 -0.403 1.00 0.00 C ATOM 234 CD GLU A 14 10.666 18.860 0.453 1.00 0.00 C ATOM 235 OE1 GLU A 14 9.445 19.039 0.259 1.00 0.00 O ATOM 236 OE2 GLU A 14 11.320 19.480 1.317 1.00 0.00 O ATOM 0 H GLU A 14 9.141 14.735 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 14 11.394 15.048 0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.820 16.342 -1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.471 17.097 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.225 17.423 0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.807 18.332 -1.279 1.00 0.00 H new ATOM 243 N ASN A 15 8.796 16.466 1.604 1.00 0.00 N ATOM 244 CA ASN A 15 8.251 17.028 2.839 1.00 0.00 C ATOM 245 C ASN A 15 8.241 16.026 4.000 1.00 0.00 C ATOM 246 O ASN A 15 7.985 16.408 5.141 1.00 0.00 O ATOM 247 CB ASN A 15 6.835 17.543 2.583 1.00 0.00 C ATOM 248 CG ASN A 15 6.428 18.638 3.550 1.00 0.00 C ATOM 249 OD1 ASN A 15 6.258 19.793 3.160 1.00 0.00 O ATOM 250 ND2 ASN A 15 6.271 18.282 4.820 1.00 0.00 N ATOM 0 H ASN A 15 8.128 16.436 0.834 1.00 0.00 H new ATOM 0 HA ASN A 15 8.906 17.847 3.137 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.769 17.921 1.563 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.131 16.714 2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.999 18.978 5.515 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.422 17.313 5.100 1.00 0.00 H new ATOM 257 N ASN A 16 8.503 14.752 3.712 1.00 0.00 N ATOM 258 CA ASN A 16 8.508 13.708 4.746 1.00 0.00 C ATOM 259 C ASN A 16 7.087 13.243 5.066 1.00 0.00 C ATOM 260 O ASN A 16 6.868 12.462 5.995 1.00 0.00 O ATOM 261 CB ASN A 16 9.208 14.189 6.020 1.00 0.00 C ATOM 262 CG ASN A 16 10.329 13.262 6.448 1.00 0.00 C ATOM 263 OD1 ASN A 16 11.506 13.560 6.250 1.00 0.00 O ATOM 264 ND2 ASN A 16 9.967 12.129 7.038 1.00 0.00 N ATOM 0 H ASN A 16 8.715 14.414 2.773 1.00 0.00 H new ATOM 0 HA ASN A 16 9.067 12.861 4.349 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.610 15.189 5.855 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.478 14.268 6.825 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.677 11.465 7.347 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.979 11.922 7.182 1.00 0.00 H new ATOM 271 N GLU A 17 6.128 13.698 4.268 1.00 0.00 N ATOM 272 CA GLU A 17 4.737 13.302 4.437 1.00 0.00 C ATOM 273 C GLU A 17 4.366 12.382 3.284 1.00 0.00 C ATOM 274 O GLU A 17 4.916 12.515 2.202 1.00 0.00 O ATOM 275 CB GLU A 17 3.818 14.526 4.469 1.00 0.00 C ATOM 276 CG GLU A 17 4.498 15.800 4.941 1.00 0.00 C ATOM 277 CD GLU A 17 3.527 16.777 5.574 1.00 0.00 C ATOM 278 OE1 GLU A 17 3.288 16.671 6.795 1.00 0.00 O ATOM 279 OE2 GLU A 17 3.003 17.650 4.848 1.00 0.00 O ATOM 0 H GLU A 17 6.290 14.344 3.495 1.00 0.00 H new ATOM 0 HA GLU A 17 4.613 12.782 5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.415 14.691 3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.972 14.315 5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.276 15.547 5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.991 16.279 4.095 1.00 0.00 H new ATOM 286 N ILE A 18 3.519 11.394 3.526 1.00 0.00 N ATOM 287 CA ILE A 18 3.203 10.420 2.488 1.00 0.00 C ATOM 288 C ILE A 18 1.831 10.608 1.846 1.00 0.00 C ATOM 289 O ILE A 18 0.795 10.504 2.501 1.00 0.00 O ATOM 290 CB ILE A 18 3.280 8.998 3.065 1.00 0.00 C ATOM 291 CG1 ILE A 18 3.078 7.966 1.954 1.00 0.00 C ATOM 292 CG2 ILE A 18 2.264 8.815 4.187 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.635 7.635 1.649 1.00 0.00 C ATOM 0 H ILE A 18 3.044 11.244 4.416 1.00 0.00 H new ATOM 0 HA ILE A 18 3.945 10.578 1.705 1.00 0.00 H new ATOM 0 HB ILE A 18 4.271 8.845 3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.551 8.335 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.595 7.048 2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.336 7.801 4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.469 9.530 4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.259 8.983 3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.593 6.896 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.158 7.231 2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.113 8.539 1.336 1.00 0.00 H new ATOM 305 N PHE A 19 1.857 10.893 0.544 1.00 0.00 N ATOM 306 CA PHE A 19 0.646 11.108 -0.238 1.00 0.00 C ATOM 307 C PHE A 19 -0.244 9.861 -0.285 1.00 0.00 C ATOM 308 O PHE A 19 0.062 8.882 -0.967 1.00 0.00 O ATOM 309 CB PHE A 19 1.019 11.560 -1.667 1.00 0.00 C ATOM 310 CG PHE A 19 0.552 10.640 -2.765 1.00 0.00 C ATOM 311 CD1 PHE A 19 -0.787 10.579 -3.118 1.00 0.00 C ATOM 312 CD2 PHE A 19 1.454 9.833 -3.438 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.216 9.732 -4.122 1.00 0.00 C ATOM 314 CE2 PHE A 19 1.031 8.983 -4.442 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.306 8.932 -4.784 1.00 0.00 C ATOM 0 H PHE A 19 2.719 10.981 0.005 1.00 0.00 H new ATOM 0 HA PHE A 19 0.070 11.892 0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.599 12.551 -1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.103 11.657 -1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.504 11.201 -2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.501 9.868 -3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.262 9.696 -4.389 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.745 8.359 -4.959 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.639 8.268 -5.568 1.00 0.00 H new ATOM 325 N ILE A 20 -1.358 9.924 0.426 1.00 0.00 N ATOM 326 CA ILE A 20 -2.317 8.842 0.452 1.00 0.00 C ATOM 327 C ILE A 20 -3.648 9.361 -0.082 1.00 0.00 C ATOM 328 O ILE A 20 -3.920 10.559 0.003 1.00 0.00 O ATOM 329 CB ILE A 20 -2.529 8.292 1.873 1.00 0.00 C ATOM 330 CG1 ILE A 20 -2.055 9.294 2.928 1.00 0.00 C ATOM 331 CG2 ILE A 20 -1.811 6.964 2.041 1.00 0.00 C ATOM 332 CD1 ILE A 20 -2.564 8.992 4.321 1.00 0.00 C ATOM 0 H ILE A 20 -1.619 10.727 0.999 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.931 8.030 -0.165 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.598 8.132 2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.965 9.305 2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.380 10.294 2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.971 6.589 3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.202 6.245 1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.743 7.104 1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.188 9.743 5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.654 9.009 4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.217 8.006 4.629 1.00 0.00 H new ATOM 344 N THR A 21 -4.480 8.484 -0.624 1.00 0.00 N ATOM 345 CA THR A 21 -5.769 8.920 -1.147 1.00 0.00 C ATOM 346 C THR A 21 -6.690 9.310 0.001 1.00 0.00 C ATOM 347 O THR A 21 -7.117 8.462 0.776 1.00 0.00 O ATOM 348 CB THR A 21 -6.417 7.819 -1.989 1.00 0.00 C ATOM 349 OG1 THR A 21 -7.602 8.294 -2.603 1.00 0.00 O ATOM 350 CG2 THR A 21 -6.781 6.586 -1.192 1.00 0.00 C ATOM 0 H THR A 21 -4.293 7.485 -0.713 1.00 0.00 H new ATOM 0 HA THR A 21 -5.605 9.787 -1.787 1.00 0.00 H new ATOM 0 HB THR A 21 -5.666 7.543 -2.729 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.370 8.901 -3.336 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.236 5.847 -1.852 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.882 6.166 -0.741 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.488 6.855 -0.407 1.00 0.00 H new ATOM 358 N ARG A 22 -6.990 10.599 0.113 1.00 0.00 N ATOM 359 CA ARG A 22 -7.858 11.084 1.179 1.00 0.00 C ATOM 360 C ARG A 22 -9.239 11.429 0.638 1.00 0.00 C ATOM 361 O ARG A 22 -9.528 12.584 0.328 1.00 0.00 O ATOM 362 CB ARG A 22 -7.236 12.301 1.868 1.00 0.00 C ATOM 363 CG ARG A 22 -7.075 12.125 3.370 1.00 0.00 C ATOM 364 CD ARG A 22 -6.702 13.431 4.053 1.00 0.00 C ATOM 365 NE ARG A 22 -7.560 14.535 3.631 1.00 0.00 N ATOM 366 CZ ARG A 22 -7.240 15.820 3.772 1.00 0.00 C ATOM 367 NH1 ARG A 22 -6.082 16.166 4.323 1.00 0.00 N ATOM 368 NH2 ARG A 22 -8.078 16.762 3.363 1.00 0.00 N ATOM 0 H ARG A 22 -6.647 11.324 -0.518 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.968 10.287 1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.260 12.501 1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.858 13.176 1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.005 11.746 3.794 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.306 11.378 3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.775 13.308 5.134 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.663 13.673 3.829 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.458 14.308 3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.433 15.446 4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.842 17.152 4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.969 16.503 2.940 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.832 17.746 3.472 1.00 0.00 H new ATOM 493 N ASN A 31 -13.937 6.593 3.631 1.00 0.00 N ATOM 494 CA ASN A 31 -13.283 5.486 4.320 1.00 0.00 C ATOM 495 C ASN A 31 -12.403 4.683 3.365 1.00 0.00 C ATOM 496 O ASN A 31 -12.175 3.491 3.572 1.00 0.00 O ATOM 497 CB ASN A 31 -14.330 4.570 4.957 1.00 0.00 C ATOM 498 CG ASN A 31 -13.901 4.062 6.320 1.00 0.00 C ATOM 499 OD1 ASN A 31 -14.306 4.600 7.351 1.00 0.00 O ATOM 500 ND2 ASN A 31 -13.078 3.021 6.331 1.00 0.00 N ATOM 0 HA ASN A 31 -12.647 5.904 5.100 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.271 5.111 5.054 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.516 3.722 4.298 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.756 2.635 7.218 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.768 2.607 5.452 1.00 0.00 H new ATOM 507 N LYS A 32 -11.912 5.340 2.318 1.00 0.00 N ATOM 508 CA LYS A 32 -11.060 4.680 1.332 1.00 0.00 C ATOM 509 C LYS A 32 -9.646 5.244 1.349 1.00 0.00 C ATOM 510 O LYS A 32 -8.937 5.203 0.345 1.00 0.00 O ATOM 511 CB LYS A 32 -11.658 4.802 -0.068 1.00 0.00 C ATOM 512 CG LYS A 32 -11.472 3.555 -0.916 1.00 0.00 C ATOM 513 CD LYS A 32 -10.315 3.709 -1.891 1.00 0.00 C ATOM 514 CE LYS A 32 -10.510 2.847 -3.127 1.00 0.00 C ATOM 515 NZ LYS A 32 -11.148 3.605 -4.238 1.00 0.00 N ATOM 0 H LYS A 32 -12.089 6.327 2.130 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.006 3.625 1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.723 5.018 0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.201 5.650 -0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.291 2.697 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.389 3.350 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.223 4.754 -2.186 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.383 3.434 -1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.545 2.462 -3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.127 1.985 -2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.710 2.955 -4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.768 4.341 -3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.412 4.049 -4.823 1.00 0.00 H new ATOM 529 N LEU A 33 -9.252 5.773 2.494 1.00 0.00 N ATOM 530 CA LEU A 33 -7.925 6.356 2.660 1.00 0.00 C ATOM 531 C LEU A 33 -6.837 5.285 2.573 1.00 0.00 C ATOM 532 O LEU A 33 -6.140 5.014 3.548 1.00 0.00 O ATOM 533 CB LEU A 33 -7.841 7.083 4.005 1.00 0.00 C ATOM 534 CG LEU A 33 -6.857 8.250 4.064 1.00 0.00 C ATOM 535 CD1 LEU A 33 -6.678 8.723 5.498 1.00 0.00 C ATOM 536 CD2 LEU A 33 -5.518 7.854 3.463 1.00 0.00 C ATOM 0 H LEU A 33 -9.834 5.812 3.330 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.762 7.069 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.834 7.455 4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.565 6.359 4.772 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.266 9.073 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.974 9.555 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.639 9.050 5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.293 7.904 6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.832 8.699 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.103 7.015 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.658 7.564 2.422 1.00 0.00 H new ATOM 548 N GLU A 34 -6.699 4.677 1.397 1.00 0.00 N ATOM 549 CA GLU A 34 -5.706 3.628 1.188 1.00 0.00 C ATOM 550 C GLU A 34 -4.592 4.083 0.253 1.00 0.00 C ATOM 551 O GLU A 34 -4.658 5.160 -0.338 1.00 0.00 O ATOM 552 CB GLU A 34 -6.373 2.367 0.630 1.00 0.00 C ATOM 553 CG GLU A 34 -6.247 1.155 1.540 1.00 0.00 C ATOM 554 CD GLU A 34 -4.862 0.537 1.506 1.00 0.00 C ATOM 555 OE1 GLU A 34 -4.376 0.231 0.397 1.00 0.00 O ATOM 556 OE2 GLU A 34 -4.265 0.359 2.588 1.00 0.00 O ATOM 0 H GLU A 34 -7.263 4.893 0.575 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.259 3.403 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.429 2.572 0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.931 2.131 -0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.484 1.448 2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.982 0.406 1.244 1.00 0.00 H new ATOM 563 N PHE A 35 -3.558 3.256 0.140 1.00 0.00 N ATOM 564 CA PHE A 35 -2.412 3.568 -0.703 1.00 0.00 C ATOM 565 C PHE A 35 -2.218 2.517 -1.805 1.00 0.00 C ATOM 566 O PHE A 35 -2.825 1.446 -1.770 1.00 0.00 O ATOM 567 CB PHE A 35 -1.131 3.685 0.147 1.00 0.00 C ATOM 568 CG PHE A 35 -1.313 3.409 1.620 1.00 0.00 C ATOM 569 CD1 PHE A 35 -2.292 4.061 2.356 1.00 0.00 C ATOM 570 CD2 PHE A 35 -0.496 2.497 2.267 1.00 0.00 C ATOM 571 CE1 PHE A 35 -2.450 3.806 3.706 1.00 0.00 C ATOM 572 CE2 PHE A 35 -0.650 2.239 3.616 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.628 2.894 4.336 1.00 0.00 C ATOM 0 H PHE A 35 -3.491 2.361 0.624 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.610 4.526 -1.183 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.387 2.993 -0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.725 4.690 0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.938 4.776 1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.272 1.981 1.710 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.216 4.320 4.267 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.005 1.525 4.106 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.750 2.693 5.390 1.00 0.00 H new ATOM 583 N PRO A 36 -1.349 2.816 -2.793 1.00 0.00 N ATOM 584 CA PRO A 36 -1.037 1.915 -3.915 1.00 0.00 C ATOM 585 C PRO A 36 -0.746 0.487 -3.460 1.00 0.00 C ATOM 586 O PRO A 36 -0.577 0.233 -2.267 1.00 0.00 O ATOM 587 CB PRO A 36 0.219 2.536 -4.552 1.00 0.00 C ATOM 588 CG PRO A 36 0.654 3.621 -3.623 1.00 0.00 C ATOM 589 CD PRO A 36 -0.579 4.063 -2.896 1.00 0.00 C ATOM 0 HA PRO A 36 -1.880 1.830 -4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.004 1.790 -4.676 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.001 2.935 -5.542 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.409 3.258 -2.926 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.101 4.449 -4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.346 4.478 -1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.122 4.831 -3.447 1.00 0.00 H new ATOM 597 N GLY A 37 -0.690 -0.452 -4.413 1.00 0.00 N ATOM 598 CA GLY A 37 -0.419 -1.832 -4.055 1.00 0.00 C ATOM 599 C GLY A 37 -1.642 -2.732 -4.050 1.00 0.00 C ATOM 600 O GLY A 37 -2.011 -3.314 -3.030 1.00 0.00 O ATOM 0 H GLY A 37 -0.826 -0.280 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.313 -2.238 -4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.037 -1.855 -3.065 1.00 0.00 H new ATOM 604 N GLY A 38 -2.252 -2.837 -5.204 1.00 0.00 N ATOM 605 CA GLY A 38 -3.428 -3.668 -5.380 1.00 0.00 C ATOM 606 C GLY A 38 -3.359 -4.497 -6.655 1.00 0.00 C ATOM 607 O GLY A 38 -3.426 -3.939 -7.751 1.00 0.00 O ATOM 0 H GLY A 38 -1.952 -2.352 -6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.534 -4.332 -4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.316 -3.037 -5.406 1.00 0.00 H new ATOM 611 N LYS A 39 -3.225 -5.830 -6.508 1.00 0.00 N ATOM 612 CA LYS A 39 -3.147 -6.766 -7.643 1.00 0.00 C ATOM 613 C LYS A 39 -1.801 -7.491 -7.684 1.00 0.00 C ATOM 614 O LYS A 39 -1.602 -8.383 -8.509 1.00 0.00 O ATOM 615 CB LYS A 39 -3.400 -6.077 -8.989 1.00 0.00 C ATOM 616 CG LYS A 39 -3.500 -7.049 -10.155 1.00 0.00 C ATOM 617 CD LYS A 39 -4.828 -6.917 -10.885 1.00 0.00 C ATOM 618 CE LYS A 39 -6.004 -7.208 -9.967 1.00 0.00 C ATOM 619 NZ LYS A 39 -5.875 -8.533 -9.299 1.00 0.00 N ATOM 0 H LYS A 39 -3.168 -6.287 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.939 -7.497 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.323 -5.500 -8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.594 -5.369 -9.184 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.682 -6.867 -10.852 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.386 -8.069 -9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.923 -5.909 -11.290 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.848 -7.604 -11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.076 -6.426 -9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.929 -7.181 -10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.789 -9.028 -9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.157 -9.102 -9.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.588 -8.396 -8.309 1.00 0.00 H new ATOM 633 N ILE A 40 -0.882 -7.117 -6.791 1.00 0.00 N ATOM 634 CA ILE A 40 0.439 -7.756 -6.734 1.00 0.00 C ATOM 635 C ILE A 40 0.314 -9.265 -6.868 1.00 0.00 C ATOM 636 O ILE A 40 0.703 -9.851 -7.877 1.00 0.00 O ATOM 637 CB ILE A 40 1.195 -7.429 -5.420 1.00 0.00 C ATOM 638 CG1 ILE A 40 2.129 -8.584 -5.026 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.216 -7.133 -4.301 1.00 0.00 C ATOM 640 CD1 ILE A 40 3.243 -8.187 -4.085 1.00 0.00 C ATOM 0 H ILE A 40 -1.025 -6.380 -6.101 1.00 0.00 H new ATOM 0 HA ILE A 40 1.012 -7.354 -7.569 1.00 0.00 H new ATOM 0 HB ILE A 40 1.803 -6.541 -5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.537 -9.371 -4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.566 -9.007 -5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.765 -6.906 -3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.402 -6.278 -4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.420 -8.002 -4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.855 -9.060 -3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.861 -7.422 -4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.817 -7.792 -3.163 1.00 0.00 H new ATOM 652 N GLU A 41 -0.234 -9.860 -5.821 1.00 0.00 N ATOM 653 CA GLU A 41 -0.457 -11.303 -5.724 1.00 0.00 C ATOM 654 C GLU A 41 -0.169 -12.030 -7.037 1.00 0.00 C ATOM 655 O GLU A 41 0.908 -12.596 -7.219 1.00 0.00 O ATOM 656 CB GLU A 41 -1.897 -11.567 -5.271 1.00 0.00 C ATOM 657 CG GLU A 41 -2.912 -10.568 -5.826 1.00 0.00 C ATOM 658 CD GLU A 41 -4.069 -11.242 -6.537 1.00 0.00 C ATOM 659 OE1 GLU A 41 -4.982 -11.742 -5.845 1.00 0.00 O ATOM 660 OE2 GLU A 41 -4.064 -11.269 -7.786 1.00 0.00 O ATOM 0 H GLU A 41 -0.544 -9.348 -4.995 1.00 0.00 H new ATOM 0 HA GLU A 41 0.243 -11.698 -4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.186 -12.572 -5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.936 -11.543 -4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.299 -9.958 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.409 -9.893 -6.518 1.00 0.00 H new ATOM 667 N MET A 42 -1.136 -12.000 -7.950 1.00 0.00 N ATOM 668 CA MET A 42 -0.992 -12.649 -9.257 1.00 0.00 C ATOM 669 C MET A 42 -0.284 -14.006 -9.138 1.00 0.00 C ATOM 670 O MET A 42 -0.902 -15.002 -8.762 1.00 0.00 O ATOM 671 CB MET A 42 -0.234 -11.732 -10.221 1.00 0.00 C ATOM 672 CG MET A 42 -1.108 -10.673 -10.865 1.00 0.00 C ATOM 673 SD MET A 42 -0.241 -9.734 -12.137 1.00 0.00 S ATOM 674 CE MET A 42 0.351 -11.056 -13.190 1.00 0.00 C ATOM 0 H MET A 42 -2.032 -11.532 -7.811 1.00 0.00 H new ATOM 0 HA MET A 42 -1.991 -12.832 -9.652 1.00 0.00 H new ATOM 0 HB2 MET A 42 0.577 -11.243 -9.682 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.223 -12.339 -11.003 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.984 -11.149 -11.305 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.469 -9.989 -10.097 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.553 -10.664 -14.187 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.267 -11.472 -12.771 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.406 -11.837 -13.254 1.00 0.00 H new ATOM 684 N GLY A 43 1.009 -14.043 -9.467 1.00 0.00 N ATOM 685 CA GLY A 43 1.755 -15.290 -9.390 1.00 0.00 C ATOM 686 C GLY A 43 3.264 -15.104 -9.324 1.00 0.00 C ATOM 687 O GLY A 43 4.016 -16.070 -9.456 1.00 0.00 O ATOM 0 H GLY A 43 1.549 -13.237 -9.783 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.428 -15.843 -8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.512 -15.901 -10.259 1.00 0.00 H new ATOM 691 N GLU A 44 3.711 -13.871 -9.123 1.00 0.00 N ATOM 692 CA GLU A 44 5.140 -13.579 -9.043 1.00 0.00 C ATOM 693 C GLU A 44 5.682 -13.911 -7.653 1.00 0.00 C ATOM 694 O GLU A 44 5.062 -14.671 -6.908 1.00 0.00 O ATOM 695 CB GLU A 44 5.393 -12.107 -9.381 1.00 0.00 C ATOM 696 CG GLU A 44 6.284 -11.909 -10.597 1.00 0.00 C ATOM 697 CD GLU A 44 5.561 -11.234 -11.747 1.00 0.00 C ATOM 698 OE1 GLU A 44 4.621 -10.455 -11.483 1.00 0.00 O ATOM 699 OE2 GLU A 44 5.934 -11.486 -12.912 1.00 0.00 O ATOM 0 H GLU A 44 3.107 -13.057 -9.012 1.00 0.00 H new ATOM 0 HA GLU A 44 5.664 -14.201 -9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.437 -11.613 -9.556 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.851 -11.618 -8.521 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.149 -11.309 -10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.661 -12.877 -10.928 1.00 0.00 H new ATOM 706 N THR A 45 6.833 -13.340 -7.297 1.00 0.00 N ATOM 707 CA THR A 45 7.428 -13.586 -5.993 1.00 0.00 C ATOM 708 C THR A 45 7.026 -12.483 -5.024 1.00 0.00 C ATOM 709 O THR A 45 6.659 -11.386 -5.444 1.00 0.00 O ATOM 710 CB THR A 45 8.956 -13.656 -6.110 1.00 0.00 C ATOM 711 OG1 THR A 45 9.363 -13.548 -7.464 1.00 0.00 O ATOM 712 CG2 THR A 45 9.544 -14.935 -5.558 1.00 0.00 C ATOM 0 H THR A 45 7.366 -12.707 -7.894 1.00 0.00 H new ATOM 0 HA THR A 45 7.064 -14.541 -5.614 1.00 0.00 H new ATOM 0 HB THR A 45 9.326 -12.820 -5.517 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.271 -13.903 -7.562 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.628 -14.917 -5.673 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.293 -15.024 -4.501 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.136 -15.787 -6.101 1.00 0.00 H new ATOM 720 N PRO A 46 7.096 -12.744 -3.707 1.00 0.00 N ATOM 721 CA PRO A 46 6.746 -11.758 -2.688 1.00 0.00 C ATOM 722 C PRO A 46 7.320 -10.379 -3.008 1.00 0.00 C ATOM 723 O PRO A 46 6.777 -9.356 -2.592 1.00 0.00 O ATOM 724 CB PRO A 46 7.371 -12.324 -1.400 1.00 0.00 C ATOM 725 CG PRO A 46 8.152 -13.530 -1.819 1.00 0.00 C ATOM 726 CD PRO A 46 7.526 -14.003 -3.096 1.00 0.00 C ATOM 0 HA PRO A 46 5.669 -11.610 -2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.017 -11.587 -0.923 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.601 -12.590 -0.676 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.203 -13.282 -1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.113 -14.306 -1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.236 -14.540 -3.724 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.688 -14.676 -2.915 1.00 0.00 H new ATOM 734 N GLU A 47 8.421 -10.365 -3.754 1.00 0.00 N ATOM 735 CA GLU A 47 9.070 -9.119 -4.138 1.00 0.00 C ATOM 736 C GLU A 47 8.791 -8.767 -5.599 1.00 0.00 C ATOM 737 O GLU A 47 8.402 -7.643 -5.907 1.00 0.00 O ATOM 738 CB GLU A 47 10.580 -9.218 -3.907 1.00 0.00 C ATOM 739 CG GLU A 47 10.991 -8.976 -2.463 1.00 0.00 C ATOM 740 CD GLU A 47 12.072 -7.921 -2.333 1.00 0.00 C ATOM 741 OE1 GLU A 47 11.980 -6.886 -3.027 1.00 0.00 O ATOM 742 OE2 GLU A 47 13.012 -8.128 -1.537 1.00 0.00 O ATOM 0 H GLU A 47 8.882 -11.205 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 47 8.658 -8.325 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.922 -10.207 -4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.085 -8.494 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.118 -8.669 -1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.347 -9.910 -2.029 1.00 0.00 H new ATOM 749 N GLN A 48 9.006 -9.728 -6.500 1.00 0.00 N ATOM 750 CA GLN A 48 8.797 -9.505 -7.930 1.00 0.00 C ATOM 751 C GLN A 48 7.317 -9.404 -8.287 1.00 0.00 C ATOM 752 O GLN A 48 6.969 -9.132 -9.436 1.00 0.00 O ATOM 753 CB GLN A 48 9.450 -10.625 -8.741 1.00 0.00 C ATOM 754 CG GLN A 48 10.929 -10.812 -8.443 1.00 0.00 C ATOM 755 CD GLN A 48 11.810 -10.527 -9.645 1.00 0.00 C ATOM 756 OE1 GLN A 48 12.108 -9.373 -9.949 1.00 0.00 O ATOM 757 NE2 GLN A 48 12.229 -11.581 -10.335 1.00 0.00 N ATOM 0 H GLN A 48 9.325 -10.668 -6.264 1.00 0.00 H new ATOM 0 HA GLN A 48 9.263 -8.552 -8.179 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.927 -11.560 -8.540 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.326 -10.412 -9.803 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.216 -10.154 -7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.101 -11.834 -8.106 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.957 -12.521 -10.046 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.823 -11.451 -11.154 1.00 0.00 H new ATOM 766 N ALA A 49 6.447 -9.612 -7.308 1.00 0.00 N ATOM 767 CA ALA A 49 5.016 -9.527 -7.546 1.00 0.00 C ATOM 768 C ALA A 49 4.541 -8.080 -7.436 1.00 0.00 C ATOM 769 O ALA A 49 3.775 -7.604 -8.274 1.00 0.00 O ATOM 770 CB ALA A 49 4.265 -10.432 -6.582 1.00 0.00 C ATOM 0 H ALA A 49 6.706 -9.839 -6.348 1.00 0.00 H new ATOM 0 HA ALA A 49 4.807 -9.870 -8.559 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.194 -10.358 -6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.588 -11.463 -6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.473 -10.125 -5.557 1.00 0.00 H new ATOM 776 N VAL A 50 5.019 -7.378 -6.411 1.00 0.00 N ATOM 777 CA VAL A 50 4.656 -5.974 -6.221 1.00 0.00 C ATOM 778 C VAL A 50 5.464 -5.069 -7.146 1.00 0.00 C ATOM 779 O VAL A 50 4.978 -4.032 -7.585 1.00 0.00 O ATOM 780 CB VAL A 50 4.833 -5.490 -4.760 1.00 0.00 C ATOM 781 CG1 VAL A 50 6.024 -6.154 -4.087 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.968 -3.976 -4.714 1.00 0.00 C ATOM 0 H VAL A 50 5.653 -7.753 -5.705 1.00 0.00 H new ATOM 0 HA VAL A 50 3.596 -5.909 -6.467 1.00 0.00 H new ATOM 0 HB VAL A 50 3.940 -5.780 -4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.114 -5.788 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.879 -7.234 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.933 -5.916 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.092 -3.653 -3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.837 -3.670 -5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.072 -3.518 -5.133 1.00 0.00 H new ATOM 792 N VAL A 51 6.702 -5.460 -7.432 1.00 0.00 N ATOM 793 CA VAL A 51 7.568 -4.666 -8.300 1.00 0.00 C ATOM 794 C VAL A 51 6.856 -4.313 -9.604 1.00 0.00 C ATOM 795 O VAL A 51 7.040 -3.225 -10.149 1.00 0.00 O ATOM 796 CB VAL A 51 8.891 -5.397 -8.616 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.784 -4.542 -9.506 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.617 -5.765 -7.330 1.00 0.00 C ATOM 0 H VAL A 51 7.127 -6.317 -7.078 1.00 0.00 H new ATOM 0 HA VAL A 51 7.804 -3.750 -7.759 1.00 0.00 H new ATOM 0 HB VAL A 51 8.652 -6.314 -9.154 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.710 -5.078 -9.715 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.268 -4.330 -10.443 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.014 -3.605 -8.998 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.547 -6.279 -7.572 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.839 -4.859 -6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.985 -6.420 -6.730 1.00 0.00 H new ATOM 808 N ARG A 52 6.039 -5.240 -10.093 1.00 0.00 N ATOM 809 CA ARG A 52 5.294 -5.023 -11.328 1.00 0.00 C ATOM 810 C ARG A 52 4.116 -4.082 -11.092 1.00 0.00 C ATOM 811 O ARG A 52 3.734 -3.311 -11.972 1.00 0.00 O ATOM 812 CB ARG A 52 4.803 -6.358 -11.896 1.00 0.00 C ATOM 813 CG ARG A 52 5.262 -6.617 -13.322 1.00 0.00 C ATOM 814 CD ARG A 52 4.854 -5.489 -14.254 1.00 0.00 C ATOM 815 NE ARG A 52 3.457 -5.106 -14.071 1.00 0.00 N ATOM 816 CZ ARG A 52 2.429 -5.795 -14.563 1.00 0.00 C ATOM 817 NH1 ARG A 52 2.637 -6.900 -15.268 1.00 0.00 N ATOM 818 NH2 ARG A 52 1.189 -5.377 -14.349 1.00 0.00 N ATOM 0 H ARG A 52 5.876 -6.146 -9.654 1.00 0.00 H new ATOM 0 HA ARG A 52 5.963 -4.559 -12.053 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.156 -7.167 -11.257 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.714 -6.378 -11.864 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.346 -6.731 -13.341 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.836 -7.555 -13.677 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.493 -4.624 -14.077 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.013 -5.797 -15.287 1.00 0.00 H new ATOM 0 HE ARG A 52 3.257 -4.262 -13.535 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.589 -7.226 -15.436 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.845 -7.423 -15.642 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.023 -4.528 -13.808 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.401 -5.904 -14.725 1.00 0.00 H new ATOM 832 N GLU A 53 3.573 -4.128 -9.883 1.00 0.00 N ATOM 833 CA GLU A 53 2.468 -3.256 -9.503 1.00 0.00 C ATOM 834 C GLU A 53 3.003 -1.869 -9.158 1.00 0.00 C ATOM 835 O GLU A 53 2.364 -0.856 -9.410 1.00 0.00 O ATOM 836 CB GLU A 53 1.711 -3.838 -8.308 1.00 0.00 C ATOM 837 CG GLU A 53 0.931 -5.099 -8.637 1.00 0.00 C ATOM 838 CD GLU A 53 -0.171 -4.854 -9.649 1.00 0.00 C ATOM 839 OE1 GLU A 53 -0.958 -3.905 -9.450 1.00 0.00 O ATOM 840 OE2 GLU A 53 -0.246 -5.610 -10.640 1.00 0.00 O ATOM 0 H GLU A 53 3.881 -4.762 -9.146 1.00 0.00 H new ATOM 0 HA GLU A 53 1.778 -3.178 -10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.421 -4.058 -7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.023 -3.085 -7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.615 -5.854 -9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.497 -5.502 -7.722 1.00 0.00 H new ATOM 847 N LEU A 54 4.163 -1.867 -8.513 1.00 0.00 N ATOM 848 CA LEU A 54 4.773 -0.627 -8.051 1.00 0.00 C ATOM 849 C LEU A 54 4.761 0.387 -9.184 1.00 0.00 C ATOM 850 O LEU A 54 4.338 1.529 -9.005 1.00 0.00 O ATOM 851 CB LEU A 54 6.202 -0.882 -7.580 1.00 0.00 C ATOM 852 CG LEU A 54 6.570 -0.200 -6.269 1.00 0.00 C ATOM 853 CD1 LEU A 54 6.130 -1.047 -5.088 1.00 0.00 C ATOM 854 CD2 LEU A 54 8.062 0.074 -6.218 1.00 0.00 C ATOM 0 H LEU A 54 4.699 -2.708 -8.298 1.00 0.00 H new ATOM 0 HA LEU A 54 4.203 -0.234 -7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.347 -1.956 -7.468 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.891 -0.546 -8.355 1.00 0.00 H new ATOM 0 HG LEU A 54 6.047 0.755 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.401 -0.545 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.050 -1.187 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.623 -2.018 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.310 0.562 -5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.607 -0.867 -6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.341 0.724 -7.047 1.00 0.00 H new ATOM 866 N GLN A 55 5.209 -0.041 -10.351 1.00 0.00 N ATOM 867 CA GLN A 55 5.230 0.834 -11.523 1.00 0.00 C ATOM 868 C GLN A 55 3.804 1.074 -12.020 1.00 0.00 C ATOM 869 O GLN A 55 3.502 2.101 -12.628 1.00 0.00 O ATOM 870 CB GLN A 55 6.082 0.217 -12.634 1.00 0.00 C ATOM 871 CG GLN A 55 7.337 1.017 -12.951 1.00 0.00 C ATOM 872 CD GLN A 55 8.252 0.302 -13.928 1.00 0.00 C ATOM 873 OE1 GLN A 55 7.853 -0.665 -14.576 1.00 0.00 O ATOM 874 NE2 GLN A 55 9.486 0.778 -14.037 1.00 0.00 N ATOM 0 H GLN A 55 5.563 -0.983 -10.518 1.00 0.00 H new ATOM 0 HA GLN A 55 5.671 1.790 -11.240 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.369 -0.793 -12.343 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.479 0.129 -13.538 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.052 1.984 -13.366 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.881 1.215 -12.027 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.773 1.582 -13.480 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.147 0.339 -14.678 1.00 0.00 H new ATOM 883 N GLU A 56 2.940 0.107 -11.740 1.00 0.00 N ATOM 884 CA GLU A 56 1.538 0.177 -12.132 1.00 0.00 C ATOM 885 C GLU A 56 0.759 1.110 -11.215 1.00 0.00 C ATOM 886 O GLU A 56 -0.257 1.678 -11.612 1.00 0.00 O ATOM 887 CB GLU A 56 0.906 -1.214 -12.088 1.00 0.00 C ATOM 888 CG GLU A 56 -0.192 -1.421 -13.117 1.00 0.00 C ATOM 889 CD GLU A 56 -1.387 -2.168 -12.554 1.00 0.00 C ATOM 890 OE1 GLU A 56 -1.819 -1.839 -11.428 1.00 0.00 O ATOM 891 OE2 GLU A 56 -1.891 -3.082 -13.240 1.00 0.00 O ATOM 0 H GLU A 56 3.190 -0.745 -11.237 1.00 0.00 H new ATOM 0 HA GLU A 56 1.496 0.567 -13.149 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.684 -1.961 -12.245 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.496 -1.385 -11.093 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.519 -0.452 -13.494 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.210 -1.974 -13.966 1.00 0.00 H new ATOM 898 N GLU A 57 1.227 1.246 -9.980 1.00 0.00 N ATOM 899 CA GLU A 57 0.557 2.088 -9.001 1.00 0.00 C ATOM 900 C GLU A 57 1.342 3.366 -8.704 1.00 0.00 C ATOM 901 O GLU A 57 0.962 4.144 -7.830 1.00 0.00 O ATOM 902 CB GLU A 57 0.312 1.302 -7.716 1.00 0.00 C ATOM 903 CG GLU A 57 -1.159 1.017 -7.463 1.00 0.00 C ATOM 904 CD GLU A 57 -1.521 -0.435 -7.708 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.063 -1.300 -6.932 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.262 -0.706 -8.676 1.00 0.00 O ATOM 0 H GLU A 57 2.068 0.783 -9.634 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.399 2.391 -9.428 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.856 0.358 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.718 1.860 -6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.405 1.281 -6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.765 1.653 -8.108 1.00 0.00 H new ATOM 913 N VAL A 58 2.423 3.588 -9.445 1.00 0.00 N ATOM 914 CA VAL A 58 3.237 4.782 -9.266 1.00 0.00 C ATOM 915 C VAL A 58 3.551 5.401 -10.617 1.00 0.00 C ATOM 916 O VAL A 58 3.448 6.614 -10.800 1.00 0.00 O ATOM 917 CB VAL A 58 4.564 4.475 -8.541 1.00 0.00 C ATOM 918 CG1 VAL A 58 5.303 5.760 -8.209 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.322 3.665 -7.279 1.00 0.00 C ATOM 0 H VAL A 58 2.754 2.956 -10.174 1.00 0.00 H new ATOM 0 HA VAL A 58 2.662 5.475 -8.651 1.00 0.00 H new ATOM 0 HB VAL A 58 5.183 3.881 -9.214 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.236 5.522 -7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.521 6.302 -9.129 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.683 6.379 -7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.274 3.463 -6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.678 4.228 -6.603 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.840 2.722 -7.539 1.00 0.00 H new ATOM 929 N GLY A 59 3.917 4.548 -11.569 1.00 0.00 N ATOM 930 CA GLY A 59 4.225 5.001 -12.909 1.00 0.00 C ATOM 931 C GLY A 59 5.501 5.809 -13.001 1.00 0.00 C ATOM 932 O GLY A 59 6.281 5.653 -13.940 1.00 0.00 O ATOM 0 H GLY A 59 4.006 3.541 -11.431 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.306 4.135 -13.566 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.396 5.605 -13.278 1.00 0.00 H new ATOM 936 N ILE A 60 5.702 6.674 -12.033 1.00 0.00 N ATOM 937 CA ILE A 60 6.875 7.528 -11.992 1.00 0.00 C ATOM 938 C ILE A 60 8.098 6.759 -11.514 1.00 0.00 C ATOM 939 O ILE A 60 8.037 5.551 -11.285 1.00 0.00 O ATOM 940 CB ILE A 60 6.681 8.755 -11.068 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.602 8.524 -10.009 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.367 9.997 -11.886 1.00 0.00 C ATOM 943 CD1 ILE A 60 5.879 9.256 -8.712 1.00 0.00 C ATOM 0 H ILE A 60 5.060 6.808 -11.252 1.00 0.00 H new ATOM 0 HA ILE A 60 7.025 7.877 -13.014 1.00 0.00 H new ATOM 0 HB ILE A 60 7.622 8.906 -10.539 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.639 8.847 -10.403 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.522 7.456 -9.807 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.234 10.848 -11.218 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.190 10.199 -12.572 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.451 9.836 -12.455 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.078 9.052 -8.001 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.828 8.915 -8.297 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.931 10.328 -8.903 1.00 0.00 H new ATOM 955 N THR A 61 9.207 7.475 -11.369 1.00 0.00 N ATOM 956 CA THR A 61 10.450 6.894 -10.920 1.00 0.00 C ATOM 957 C THR A 61 10.803 7.433 -9.539 1.00 0.00 C ATOM 958 O THR A 61 11.461 8.467 -9.420 1.00 0.00 O ATOM 959 CB THR A 61 11.536 7.262 -11.911 1.00 0.00 C ATOM 960 OG1 THR A 61 11.263 8.521 -12.504 1.00 0.00 O ATOM 961 CG2 THR A 61 11.692 6.257 -13.029 1.00 0.00 C ATOM 0 H THR A 61 9.261 8.475 -11.562 1.00 0.00 H new ATOM 0 HA THR A 61 10.355 5.810 -10.856 1.00 0.00 H new ATOM 0 HB THR A 61 12.460 7.285 -11.333 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.975 8.744 -13.140 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.486 6.582 -13.702 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.947 5.283 -12.610 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.756 6.180 -13.582 1.00 0.00 H new ATOM 969 N PRO A 62 10.326 6.774 -8.475 1.00 0.00 N ATOM 970 CA PRO A 62 10.535 7.206 -7.111 1.00 0.00 C ATOM 971 C PRO A 62 11.472 6.318 -6.310 1.00 0.00 C ATOM 972 O PRO A 62 11.612 5.129 -6.596 1.00 0.00 O ATOM 973 CB PRO A 62 9.121 7.023 -6.584 1.00 0.00 C ATOM 974 CG PRO A 62 8.681 5.729 -7.200 1.00 0.00 C ATOM 975 CD PRO A 62 9.467 5.581 -8.487 1.00 0.00 C ATOM 0 HA PRO A 62 10.987 8.196 -7.043 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.102 6.976 -5.495 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.473 7.848 -6.879 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.875 4.893 -6.528 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.609 5.737 -7.398 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.051 4.661 -8.502 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.815 5.559 -9.360 1.00 0.00 H new ATOM 983 N GLN A 63 12.042 6.880 -5.250 1.00 0.00 N ATOM 984 CA GLN A 63 12.871 6.112 -4.362 1.00 0.00 C ATOM 985 C GLN A 63 11.895 5.427 -3.410 1.00 0.00 C ATOM 986 O GLN A 63 11.579 5.912 -2.325 1.00 0.00 O ATOM 987 CB GLN A 63 13.898 7.025 -3.664 1.00 0.00 C ATOM 988 CG GLN A 63 13.670 7.243 -2.181 1.00 0.00 C ATOM 989 CD GLN A 63 14.886 7.814 -1.479 1.00 0.00 C ATOM 990 OE1 GLN A 63 15.047 9.031 -1.381 1.00 0.00 O ATOM 991 NE2 GLN A 63 15.751 6.936 -0.985 1.00 0.00 N ATOM 0 H GLN A 63 11.939 7.862 -4.995 1.00 0.00 H new ATOM 0 HA GLN A 63 13.479 5.363 -4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.892 6.599 -3.803 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.894 7.995 -4.162 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.826 7.918 -2.043 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.399 6.295 -1.716 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.578 5.936 -1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.588 7.261 -0.502 1.00 0.00 H new ATOM 1000 N HIS A 64 11.346 4.332 -3.900 1.00 0.00 N ATOM 1001 CA HIS A 64 10.326 3.590 -3.184 1.00 0.00 C ATOM 1002 C HIS A 64 10.725 2.134 -3.039 1.00 0.00 C ATOM 1003 O HIS A 64 11.120 1.486 -4.010 1.00 0.00 O ATOM 1004 CB HIS A 64 9.014 3.753 -3.962 1.00 0.00 C ATOM 1005 CG HIS A 64 7.896 2.809 -3.603 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.635 2.923 -4.153 1.00 0.00 N ATOM 1007 CD2 HIS A 64 7.838 1.743 -2.765 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.856 1.973 -3.671 1.00 0.00 C ATOM 1009 NE2 HIS A 64 6.561 1.244 -2.828 1.00 0.00 N ATOM 0 H HIS A 64 11.594 3.932 -4.805 1.00 0.00 H new ATOM 0 HA HIS A 64 10.202 3.973 -2.171 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.658 4.773 -3.819 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.231 3.637 -5.024 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.647 1.359 -2.161 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.817 1.819 -3.924 1.00 0.00 H new ATOM 0 HE2 HIS A 64 6.213 0.439 -2.307 1.00 0.00 H new ATOM 1018 N PHE A 65 10.625 1.624 -1.816 1.00 0.00 N ATOM 1019 CA PHE A 65 10.979 0.254 -1.528 1.00 0.00 C ATOM 1020 C PHE A 65 10.882 -0.020 -0.029 1.00 0.00 C ATOM 1021 O PHE A 65 10.378 0.802 0.728 1.00 0.00 O ATOM 1022 CB PHE A 65 12.402 0.008 -1.990 1.00 0.00 C ATOM 1023 CG PHE A 65 12.599 -1.312 -2.679 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.722 -1.722 -3.669 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.658 -2.140 -2.343 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.896 -2.931 -4.315 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.837 -3.352 -2.984 1.00 0.00 C ATOM 1028 CZ PHE A 65 12.954 -3.748 -3.972 1.00 0.00 C ATOM 0 H PHE A 65 10.298 2.151 -1.007 1.00 0.00 H new ATOM 0 HA PHE A 65 10.290 -0.410 -2.050 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.697 0.808 -2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.067 0.060 -1.128 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.891 -1.088 -3.940 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.351 -1.836 -1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.205 -3.236 -5.087 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.666 -3.989 -2.713 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.092 -4.694 -4.474 1.00 0.00 H new ATOM 1038 N SER A 66 11.384 -1.175 0.388 1.00 0.00 N ATOM 1039 CA SER A 66 11.380 -1.564 1.793 1.00 0.00 C ATOM 1040 C SER A 66 9.982 -1.932 2.254 1.00 0.00 C ATOM 1041 O SER A 66 8.996 -1.588 1.607 1.00 0.00 O ATOM 1042 CB SER A 66 11.937 -0.437 2.666 1.00 0.00 C ATOM 1043 OG SER A 66 13.103 0.127 2.090 1.00 0.00 O ATOM 0 H SER A 66 11.804 -1.866 -0.234 1.00 0.00 H new ATOM 0 HA SER A 66 12.019 -2.441 1.896 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.180 0.337 2.793 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.168 -0.823 3.659 1.00 0.00 H new ATOM 0 HG SER A 66 13.438 0.846 2.666 1.00 0.00 H new ATOM 1049 N LEU A 67 9.905 -2.632 3.380 1.00 0.00 N ATOM 1050 CA LEU A 67 8.627 -3.048 3.935 1.00 0.00 C ATOM 1051 C LEU A 67 8.470 -2.551 5.366 1.00 0.00 C ATOM 1052 O LEU A 67 9.266 -2.888 6.241 1.00 0.00 O ATOM 1053 CB LEU A 67 8.491 -4.573 3.887 1.00 0.00 C ATOM 1054 CG LEU A 67 9.291 -5.336 4.947 1.00 0.00 C ATOM 1055 CD1 LEU A 67 8.406 -5.690 6.132 1.00 0.00 C ATOM 1056 CD2 LEU A 67 9.909 -6.592 4.349 1.00 0.00 C ATOM 0 H LEU A 67 10.716 -2.923 3.926 1.00 0.00 H new ATOM 0 HA LEU A 67 7.836 -2.607 3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.437 -4.831 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.804 -4.918 2.902 1.00 0.00 H new ATOM 0 HG LEU A 67 10.096 -4.691 5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.992 -6.232 6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.011 -4.777 6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.580 -6.316 5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.473 -7.121 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.120 -7.240 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.577 -6.316 3.533 1.00 0.00 H new ATOM 1068 N PHE A 68 7.438 -1.749 5.600 1.00 0.00 N ATOM 1069 CA PHE A 68 7.186 -1.217 6.928 1.00 0.00 C ATOM 1070 C PHE A 68 6.580 -2.308 7.808 1.00 0.00 C ATOM 1071 O PHE A 68 6.906 -2.428 8.990 1.00 0.00 O ATOM 1072 CB PHE A 68 6.255 0.007 6.840 1.00 0.00 C ATOM 1073 CG PHE A 68 5.069 -0.035 7.769 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.011 -0.893 7.520 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.015 0.784 8.886 1.00 0.00 C ATOM 1076 CE1 PHE A 68 2.922 -0.939 8.366 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.926 0.744 9.737 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.878 -0.119 9.478 1.00 0.00 C ATOM 0 H PHE A 68 6.767 -1.456 4.890 1.00 0.00 H new ATOM 0 HA PHE A 68 8.125 -0.892 7.376 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.836 0.904 7.055 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.894 0.099 5.816 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.039 -1.535 6.652 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.831 1.460 9.094 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.105 -1.615 8.160 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.894 1.387 10.604 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.027 -0.153 10.142 1.00 0.00 H new ATOM 1088 N GLU A 69 5.699 -3.103 7.210 1.00 0.00 N ATOM 1089 CA GLU A 69 5.038 -4.195 7.914 1.00 0.00 C ATOM 1090 C GLU A 69 4.240 -5.056 6.940 1.00 0.00 C ATOM 1091 O GLU A 69 4.001 -4.662 5.804 1.00 0.00 O ATOM 1092 CB GLU A 69 4.114 -3.642 9.000 1.00 0.00 C ATOM 1093 CG GLU A 69 4.040 -4.517 10.241 1.00 0.00 C ATOM 1094 CD GLU A 69 2.622 -4.684 10.753 1.00 0.00 C ATOM 1095 OE1 GLU A 69 1.906 -3.666 10.858 1.00 0.00 O ATOM 1096 OE2 GLU A 69 2.229 -5.831 11.050 1.00 0.00 O ATOM 0 H GLU A 69 5.425 -3.010 6.232 1.00 0.00 H new ATOM 0 HA GLU A 69 5.803 -4.815 8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.458 -2.648 9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.112 -3.526 8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.459 -5.498 10.015 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.657 -4.080 11.026 1.00 0.00 H new ATOM 1103 N LYS A 70 3.820 -6.229 7.392 1.00 0.00 N ATOM 1104 CA LYS A 70 3.032 -7.133 6.561 1.00 0.00 C ATOM 1105 C LYS A 70 1.997 -7.848 7.427 1.00 0.00 C ATOM 1106 O LYS A 70 2.327 -8.339 8.506 1.00 0.00 O ATOM 1107 CB LYS A 70 3.935 -8.152 5.864 1.00 0.00 C ATOM 1108 CG LYS A 70 5.016 -8.723 6.766 1.00 0.00 C ATOM 1109 CD LYS A 70 5.514 -10.065 6.256 1.00 0.00 C ATOM 1110 CE LYS A 70 6.663 -10.590 7.101 1.00 0.00 C ATOM 1111 NZ LYS A 70 6.226 -11.681 8.015 1.00 0.00 N ATOM 0 H LYS A 70 4.011 -6.579 8.331 1.00 0.00 H new ATOM 0 HA LYS A 70 2.521 -6.552 5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.321 -8.969 5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.405 -7.679 5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.849 -8.023 6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.625 -8.839 7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.696 -10.785 6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.839 -9.964 5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.455 -10.958 6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.086 -9.774 7.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.038 -12.012 8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.488 -11.323 8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.846 -12.471 7.456 1.00 0.00 H new ATOM 1125 N LEU A 71 0.743 -7.885 6.982 1.00 0.00 N ATOM 1126 CA LEU A 71 -0.298 -8.511 7.761 1.00 0.00 C ATOM 1127 C LEU A 71 -0.572 -9.955 7.327 1.00 0.00 C ATOM 1128 O LEU A 71 -0.968 -10.233 6.197 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.553 -7.646 7.644 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.900 -8.349 7.762 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -3.244 -9.119 6.496 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -2.934 -9.260 8.980 1.00 0.00 C ATOM 0 H LEU A 71 0.435 -7.490 6.093 1.00 0.00 H new ATOM 0 HA LEU A 71 0.024 -8.577 8.800 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.505 -6.877 8.415 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.522 -7.135 6.681 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.660 -7.579 7.893 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.211 -9.607 6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.289 -8.430 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.479 -9.872 6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.906 -9.750 9.041 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.152 -10.015 8.892 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.768 -8.669 9.881 1.00 0.00 H new ATOM 1144 N GLU A 72 -0.308 -10.857 8.259 1.00 0.00 N ATOM 1145 CA GLU A 72 -0.486 -12.272 8.017 1.00 0.00 C ATOM 1146 C GLU A 72 -1.586 -12.845 8.906 1.00 0.00 C ATOM 1147 O GLU A 72 -1.407 -13.017 10.112 1.00 0.00 O ATOM 1148 CB GLU A 72 0.833 -13.000 8.260 1.00 0.00 C ATOM 1149 CG GLU A 72 0.705 -14.501 8.169 1.00 0.00 C ATOM 1150 CD GLU A 72 2.013 -15.220 8.434 1.00 0.00 C ATOM 1151 OE1 GLU A 72 2.424 -15.291 9.611 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.626 -15.713 7.463 1.00 0.00 O ATOM 0 H GLU A 72 0.032 -10.628 9.193 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.790 -12.415 6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.569 -12.659 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.213 -12.733 9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.043 -14.841 8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.342 -14.771 7.177 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.725 -13.146 8.283 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.871 -13.713 8.986 1.00 0.00 C ATOM 1161 C TYR A 73 -4.599 -14.730 8.109 1.00 0.00 C ATOM 1162 O TYR A 73 -5.029 -14.406 7.004 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.836 -12.605 9.413 1.00 0.00 C ATOM 1164 CG TYR A 73 -5.647 -12.947 10.642 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -5.050 -13.538 11.749 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -7.009 -12.682 10.694 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -5.789 -13.853 12.874 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -7.754 -12.994 11.816 1.00 0.00 C ATOM 1169 CZ TYR A 73 -7.140 -13.579 12.902 1.00 0.00 C ATOM 1170 OH TYR A 73 -7.878 -13.893 14.020 1.00 0.00 O ATOM 0 H TYR A 73 -2.877 -13.004 7.284 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.503 -14.225 9.875 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.268 -11.695 9.605 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.515 -12.389 8.588 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.992 -13.755 11.730 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.494 -12.225 9.844 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.310 -14.311 13.727 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.812 -12.780 11.841 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.813 -13.634 13.878 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.757 -15.952 8.605 1.00 0.00 N ATOM 1181 CA GLU A 74 -5.464 -16.983 7.848 1.00 0.00 C ATOM 1182 C GLU A 74 -6.660 -17.514 8.629 1.00 0.00 C ATOM 1183 O GLU A 74 -6.510 -18.125 9.688 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.529 -18.129 7.459 1.00 0.00 C ATOM 1185 CG GLU A 74 -3.612 -18.586 8.581 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.314 -19.178 8.067 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -2.292 -20.389 7.767 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -1.320 -18.429 7.964 1.00 0.00 O ATOM 0 H GLU A 74 -4.411 -16.252 9.516 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.830 -16.520 6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.128 -18.976 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.920 -17.816 6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.389 -17.740 9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.130 -19.328 9.189 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.848 -17.266 8.093 1.00 0.00 N ATOM 1196 CA PHE A 75 -9.088 -17.698 8.708 1.00 0.00 C ATOM 1197 C PHE A 75 -9.361 -19.175 8.411 1.00 0.00 C ATOM 1198 O PHE A 75 -8.762 -19.748 7.506 1.00 0.00 O ATOM 1199 CB PHE A 75 -10.232 -16.829 8.189 1.00 0.00 C ATOM 1200 CG PHE A 75 -10.414 -15.544 8.946 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -9.733 -14.399 8.560 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -11.267 -15.477 10.036 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -9.899 -13.213 9.248 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -11.435 -14.293 10.729 1.00 0.00 C ATOM 1205 CZ PHE A 75 -10.751 -13.160 10.334 1.00 0.00 C ATOM 0 H PHE A 75 -7.975 -16.758 7.218 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.007 -17.588 9.789 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -10.052 -16.598 7.139 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -11.159 -17.401 8.235 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.065 -14.435 7.712 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.806 -16.359 10.347 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.363 -12.328 8.937 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.101 -14.254 11.579 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.882 -12.234 10.874 1.00 0.00 H new ATOM 1215 N PRO A 76 -10.272 -19.806 9.174 1.00 0.00 N ATOM 1216 CA PRO A 76 -10.639 -21.216 8.998 1.00 0.00 C ATOM 1217 C PRO A 76 -10.963 -21.545 7.545 1.00 0.00 C ATOM 1218 O PRO A 76 -12.122 -21.511 7.131 1.00 0.00 O ATOM 1219 CB PRO A 76 -11.891 -21.381 9.877 1.00 0.00 C ATOM 1220 CG PRO A 76 -12.294 -19.995 10.252 1.00 0.00 C ATOM 1221 CD PRO A 76 -11.028 -19.194 10.259 1.00 0.00 C ATOM 0 HA PRO A 76 -9.824 -21.886 9.273 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.688 -21.889 9.335 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -11.675 -21.981 10.761 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.011 -19.589 9.538 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.774 -19.978 11.231 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.215 -18.135 10.079 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.505 -19.268 11.212 1.00 0.00 H new ATOM 1229 N ASP A 77 -9.915 -21.844 6.784 1.00 0.00 N ATOM 1230 CA ASP A 77 -10.025 -22.171 5.356 1.00 0.00 C ATOM 1231 C ASP A 77 -9.825 -20.915 4.515 1.00 0.00 C ATOM 1232 O ASP A 77 -10.341 -20.799 3.403 1.00 0.00 O ATOM 1233 CB ASP A 77 -11.376 -22.817 5.024 1.00 0.00 C ATOM 1234 CG ASP A 77 -11.314 -23.680 3.779 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -10.570 -24.683 3.788 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -12.011 -23.353 2.796 1.00 0.00 O ATOM 0 H ASP A 77 -8.958 -21.868 7.137 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.244 -22.894 5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.702 -23.425 5.868 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.124 -22.037 4.885 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.070 -19.977 5.073 1.00 0.00 N ATOM 1242 CA ARG A 78 -8.776 -18.711 4.422 1.00 0.00 C ATOM 1243 C ARG A 78 -7.309 -18.345 4.611 1.00 0.00 C ATOM 1244 O ARG A 78 -6.691 -18.717 5.608 1.00 0.00 O ATOM 1245 CB ARG A 78 -9.672 -17.602 4.965 1.00 0.00 C ATOM 1246 CG ARG A 78 -9.914 -16.479 3.967 1.00 0.00 C ATOM 1247 CD ARG A 78 -9.620 -15.114 4.570 1.00 0.00 C ATOM 1248 NE ARG A 78 -10.786 -14.235 4.527 1.00 0.00 N ATOM 1249 CZ ARG A 78 -11.317 -13.762 3.402 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -10.788 -14.078 2.225 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -12.380 -12.971 3.451 1.00 0.00 N ATOM 0 H ARG A 78 -8.643 -20.076 5.994 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.975 -18.822 3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.630 -18.030 5.259 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.219 -17.187 5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.286 -16.631 3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.949 -16.511 3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.296 -15.236 5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.795 -14.649 4.030 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.219 -13.968 5.411 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.970 -14.686 2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.199 -13.712 1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.791 -12.725 4.351 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.786 -12.609 2.588 1.00 0.00 H new ATOM 1265 N HIS A 79 -6.770 -17.586 3.671 1.00 0.00 N ATOM 1266 CA HIS A 79 -5.394 -17.127 3.744 1.00 0.00 C ATOM 1267 C HIS A 79 -5.275 -15.746 3.105 1.00 0.00 C ATOM 1268 O HIS A 79 -5.443 -15.604 1.895 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.452 -18.118 3.057 1.00 0.00 C ATOM 1270 CG HIS A 79 -4.579 -19.519 3.569 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -4.083 -19.923 4.792 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -5.148 -20.618 3.016 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -4.341 -21.206 4.968 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -4.986 -21.651 3.905 1.00 0.00 N ATOM 0 H HIS A 79 -7.272 -17.272 2.840 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.104 -17.060 4.793 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.651 -18.112 1.985 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.424 -17.782 3.192 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.638 -20.671 2.055 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.071 -21.792 5.834 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -5.311 -22.608 3.767 1.00 0.00 H new ATOM 1283 N ILE A 80 -4.974 -14.729 3.905 1.00 0.00 N ATOM 1284 CA ILE A 80 -4.824 -13.383 3.392 1.00 0.00 C ATOM 1285 C ILE A 80 -3.480 -12.821 3.836 1.00 0.00 C ATOM 1286 O ILE A 80 -3.089 -12.976 4.993 1.00 0.00 O ATOM 1287 CB ILE A 80 -5.959 -12.463 3.884 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.699 -11.033 3.436 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -6.084 -12.528 5.396 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.957 -10.210 3.260 1.00 0.00 C ATOM 0 H ILE A 80 -4.830 -14.817 4.911 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.872 -13.424 2.304 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.898 -12.805 3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.056 -10.544 4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.153 -11.051 2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.890 -11.872 5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.304 -13.552 5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.148 -12.207 5.853 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.691 -9.203 2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.593 -10.674 2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.494 -10.159 4.207 1.00 0.00 H new ATOM 1302 N THR A 81 -2.765 -12.184 2.919 1.00 0.00 N ATOM 1303 CA THR A 81 -1.470 -11.631 3.229 1.00 0.00 C ATOM 1304 C THR A 81 -1.339 -10.214 2.676 1.00 0.00 C ATOM 1305 O THR A 81 -1.400 -10.008 1.465 1.00 0.00 O ATOM 1306 CB THR A 81 -0.405 -12.519 2.603 1.00 0.00 C ATOM 1307 OG1 THR A 81 -0.947 -13.266 1.529 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.216 -13.500 3.566 1.00 0.00 C ATOM 0 H THR A 81 -3.067 -12.041 1.955 1.00 0.00 H new ATOM 0 HA THR A 81 -1.347 -11.588 4.311 1.00 0.00 H new ATOM 0 HB THR A 81 0.371 -11.832 2.266 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.583 -14.176 1.547 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.965 -14.097 3.045 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.689 -12.957 4.384 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.557 -14.157 3.966 1.00 0.00 H new ATOM 1316 N LEU A 82 -1.144 -9.243 3.559 1.00 0.00 N ATOM 1317 CA LEU A 82 -0.989 -7.858 3.130 1.00 0.00 C ATOM 1318 C LEU A 82 0.420 -7.364 3.438 1.00 0.00 C ATOM 1319 O LEU A 82 0.801 -7.242 4.596 1.00 0.00 O ATOM 1320 CB LEU A 82 -2.018 -6.959 3.819 1.00 0.00 C ATOM 1321 CG LEU A 82 -3.475 -7.196 3.409 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -4.402 -7.044 4.607 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -3.880 -6.237 2.299 1.00 0.00 C ATOM 0 H LEU A 82 -1.090 -9.386 4.567 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.154 -7.814 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.934 -7.099 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.764 -5.919 3.612 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.563 -8.216 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.432 -7.216 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.129 -7.770 5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.310 -6.037 5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.918 -6.420 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.774 -5.210 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.239 -6.393 1.431 1.00 0.00 H new ATOM 1335 N TRP A 83 1.194 -7.083 2.399 1.00 0.00 N ATOM 1336 CA TRP A 83 2.560 -6.609 2.586 1.00 0.00 C ATOM 1337 C TRP A 83 2.645 -5.100 2.414 1.00 0.00 C ATOM 1338 O TRP A 83 2.284 -4.566 1.366 1.00 0.00 O ATOM 1339 CB TRP A 83 3.504 -7.302 1.603 1.00 0.00 C ATOM 1340 CG TRP A 83 3.668 -8.763 1.877 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.720 -9.615 2.362 1.00 0.00 C ATOM 1342 CD2 TRP A 83 4.852 -9.546 1.687 1.00 0.00 C ATOM 1343 NE1 TRP A 83 3.238 -10.879 2.483 1.00 0.00 N ATOM 1344 CE2 TRP A 83 4.546 -10.865 2.076 1.00 0.00 C ATOM 1345 CE3 TRP A 83 6.141 -9.262 1.224 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 5.481 -11.894 2.017 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 7.068 -10.286 1.166 1.00 0.00 C ATOM 1348 CH2 TRP A 83 6.734 -11.588 1.560 1.00 0.00 C ATOM 0 H TRP A 83 0.904 -7.174 1.425 1.00 0.00 H new ATOM 0 HA TRP A 83 2.863 -6.855 3.604 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.125 -7.169 0.590 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.480 -6.819 1.644 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.708 -9.335 2.614 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.731 -11.697 2.821 1.00 0.00 H new ATOM 0 HE3 TRP A 83 6.407 -8.261 0.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.227 -12.899 2.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.067 -10.079 0.811 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.481 -12.366 1.502 1.00 0.00 H new ATOM 1359 N PHE A 84 3.135 -4.416 3.442 1.00 0.00 N ATOM 1360 CA PHE A 84 3.276 -2.969 3.387 1.00 0.00 C ATOM 1361 C PHE A 84 4.729 -2.594 3.084 1.00 0.00 C ATOM 1362 O PHE A 84 5.637 -2.951 3.834 1.00 0.00 O ATOM 1363 CB PHE A 84 2.810 -2.310 4.699 1.00 0.00 C ATOM 1364 CG PHE A 84 1.307 -2.246 4.866 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.480 -3.127 4.187 1.00 0.00 C ATOM 1366 CD2 PHE A 84 0.722 -1.303 5.707 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.892 -3.074 4.339 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.652 -1.249 5.861 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.457 -2.135 5.177 1.00 0.00 C ATOM 0 H PHE A 84 3.439 -4.839 4.319 1.00 0.00 H new ATOM 0 HA PHE A 84 2.639 -2.596 2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.234 -2.861 5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.212 -1.298 4.746 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.915 -3.866 3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.348 -0.606 6.245 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.522 -3.767 3.802 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.094 -0.513 6.517 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.530 -2.094 5.297 1.00 0.00 H new ATOM 1379 N TRP A 85 4.944 -1.872 1.983 1.00 0.00 N ATOM 1380 CA TRP A 85 6.291 -1.452 1.591 1.00 0.00 C ATOM 1381 C TRP A 85 6.540 -0.005 2.001 1.00 0.00 C ATOM 1382 O TRP A 85 5.764 0.882 1.645 1.00 0.00 O ATOM 1383 CB TRP A 85 6.478 -1.614 0.083 1.00 0.00 C ATOM 1384 CG TRP A 85 6.461 -3.044 -0.355 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.366 -3.849 -0.480 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.592 -3.843 -0.720 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.746 -5.099 -0.901 1.00 0.00 N ATOM 1388 CE2 TRP A 85 7.107 -5.122 -1.056 1.00 0.00 C ATOM 1389 CE3 TRP A 85 8.966 -3.603 -0.797 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.948 -6.154 -1.461 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.801 -4.628 -1.199 1.00 0.00 C ATOM 1392 CH2 TRP A 85 9.290 -5.890 -1.527 1.00 0.00 C ATOM 0 H TRP A 85 4.206 -1.567 1.349 1.00 0.00 H new ATOM 0 HA TRP A 85 7.014 -2.086 2.104 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.689 -1.071 -0.436 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.424 -1.160 -0.212 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.349 -3.547 -0.277 1.00 0.00 H new ATOM 0 HE1 TRP A 85 5.117 -5.884 -1.071 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.369 -2.633 -0.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.556 -7.128 -1.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.865 -4.453 -1.261 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.968 -6.671 -1.838 1.00 0.00 H new ATOM 1403 N LEU A 86 7.589 0.235 2.795 1.00 0.00 N ATOM 1404 CA LEU A 86 7.835 1.595 3.266 1.00 0.00 C ATOM 1405 C LEU A 86 8.629 2.444 2.270 1.00 0.00 C ATOM 1406 O LEU A 86 9.855 2.392 2.208 1.00 0.00 O ATOM 1407 CB LEU A 86 8.574 1.551 4.603 1.00 0.00 C ATOM 1408 CG LEU A 86 8.862 2.917 5.228 1.00 0.00 C ATOM 1409 CD1 LEU A 86 7.569 3.583 5.676 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.823 2.774 6.399 1.00 0.00 C ATOM 0 H LEU A 86 8.257 -0.467 3.114 1.00 0.00 H new ATOM 0 HA LEU A 86 6.860 2.069 3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.985 0.963 5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.519 1.026 4.462 1.00 0.00 H new ATOM 0 HG LEU A 86 9.330 3.550 4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.794 4.554 6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.913 3.719 4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.073 2.954 6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.017 3.755 6.832 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.381 2.125 7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.760 2.340 6.050 1.00 0.00 H new ATOM 1422 N VAL A 87 7.881 3.230 1.506 1.00 0.00 N ATOM 1423 CA VAL A 87 8.425 4.127 0.483 1.00 0.00 C ATOM 1424 C VAL A 87 9.138 5.311 1.085 1.00 0.00 C ATOM 1425 O VAL A 87 8.752 5.805 2.145 1.00 0.00 O ATOM 1426 CB VAL A 87 7.326 4.663 -0.420 1.00 0.00 C ATOM 1427 CG1 VAL A 87 7.908 5.417 -1.606 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.425 3.527 -0.875 1.00 0.00 C ATOM 0 H VAL A 87 6.864 3.266 1.577 1.00 0.00 H new ATOM 0 HA VAL A 87 9.133 3.528 -0.090 1.00 0.00 H new ATOM 0 HB VAL A 87 6.725 5.372 0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.098 5.789 -2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.503 6.257 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.540 4.747 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.641 3.921 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.014 2.793 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.973 3.051 -0.005 1.00 0.00 H new ATOM 1438 N GLU A 88 10.188 5.762 0.415 1.00 0.00 N ATOM 1439 CA GLU A 88 10.937 6.893 0.927 1.00 0.00 C ATOM 1440 C GLU A 88 10.743 8.188 0.123 1.00 0.00 C ATOM 1441 O GLU A 88 10.666 9.263 0.719 1.00 0.00 O ATOM 1442 CB GLU A 88 12.427 6.557 1.030 1.00 0.00 C ATOM 1443 CG GLU A 88 12.706 5.110 1.406 1.00 0.00 C ATOM 1444 CD GLU A 88 13.819 4.978 2.427 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.718 5.844 2.440 1.00 0.00 O ATOM 1446 OE2 GLU A 88 13.792 4.007 3.212 1.00 0.00 O ATOM 0 H GLU A 88 10.532 5.372 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 88 10.531 7.085 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.905 6.773 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.887 7.210 1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.797 4.660 1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.972 4.550 0.509 1.00 0.00 H new ATOM 1453 N ARG A 89 10.675 8.121 -1.212 1.00 0.00 N ATOM 1454 CA ARG A 89 10.505 9.348 -1.997 1.00 0.00 C ATOM 1455 C ARG A 89 10.027 9.061 -3.418 1.00 0.00 C ATOM 1456 O ARG A 89 10.093 7.925 -3.884 1.00 0.00 O ATOM 1457 CB ARG A 89 11.813 10.162 -2.006 1.00 0.00 C ATOM 1458 CG ARG A 89 12.669 9.995 -3.257 1.00 0.00 C ATOM 1459 CD ARG A 89 12.505 11.168 -4.209 1.00 0.00 C ATOM 1460 NE ARG A 89 13.605 11.256 -5.166 1.00 0.00 N ATOM 1461 CZ ARG A 89 14.858 11.555 -4.830 1.00 0.00 C ATOM 1462 NH1 ARG A 89 15.173 11.802 -3.564 1.00 0.00 N ATOM 1463 NH2 ARG A 89 15.800 11.608 -5.762 1.00 0.00 N ATOM 0 H ARG A 89 10.733 7.260 -1.756 1.00 0.00 H new ATOM 0 HA ARG A 89 9.726 9.941 -1.517 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.567 11.218 -1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.407 9.877 -1.137 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.717 9.901 -2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.394 9.071 -3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.563 11.068 -4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 89 12.448 12.094 -3.637 1.00 0.00 H new ATOM 0 HE ARG A 89 13.401 11.078 -6.149 1.00 0.00 H new ATOM 0 HH11 ARG A 89 14.453 11.763 -2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 89 16.135 12.030 -3.313 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.565 11.420 -6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 89 16.760 11.837 -5.504 1.00 0.00 H new ATOM 1477 N TRP A 90 9.558 10.103 -4.107 1.00 0.00 N ATOM 1478 CA TRP A 90 9.085 9.957 -5.479 1.00 0.00 C ATOM 1479 C TRP A 90 9.378 11.201 -6.314 1.00 0.00 C ATOM 1480 O TRP A 90 9.078 12.322 -5.904 1.00 0.00 O ATOM 1481 CB TRP A 90 7.586 9.637 -5.502 1.00 0.00 C ATOM 1482 CG TRP A 90 6.691 10.824 -5.312 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.402 11.790 -6.232 1.00 0.00 C ATOM 1484 CD2 TRP A 90 5.956 11.157 -4.134 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.525 12.703 -5.696 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.236 12.336 -4.409 1.00 0.00 C ATOM 1487 CE3 TRP A 90 5.834 10.572 -2.872 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.403 12.937 -3.468 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.008 11.171 -1.940 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.301 12.340 -2.241 1.00 0.00 C ATOM 0 H TRP A 90 9.497 11.052 -3.737 1.00 0.00 H new ATOM 0 HA TRP A 90 9.629 9.125 -5.925 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.343 9.164 -6.454 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.372 8.908 -4.720 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.803 11.831 -7.234 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.151 13.520 -6.178 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.375 9.669 -2.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 3.858 13.841 -3.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 4.906 10.728 -0.960 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.662 12.780 -1.490 1.00 0.00 H new ATOM 1501 N GLU A 91 9.962 10.991 -7.496 1.00 0.00 N ATOM 1502 CA GLU A 91 10.289 12.095 -8.390 1.00 0.00 C ATOM 1503 C GLU A 91 9.079 12.481 -9.234 1.00 0.00 C ATOM 1504 O GLU A 91 8.167 11.678 -9.430 1.00 0.00 O ATOM 1505 CB GLU A 91 11.459 11.714 -9.299 1.00 0.00 C ATOM 1506 CG GLU A 91 12.788 11.606 -8.571 1.00 0.00 C ATOM 1507 CD GLU A 91 13.970 11.558 -9.518 1.00 0.00 C ATOM 1508 OE1 GLU A 91 13.820 10.996 -10.624 1.00 0.00 O ATOM 1509 OE2 GLU A 91 15.044 12.080 -9.155 1.00 0.00 O ATOM 0 H GLU A 91 10.216 10.069 -7.852 1.00 0.00 H new ATOM 0 HA GLU A 91 10.577 12.952 -7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.239 10.760 -9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.548 12.457 -10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.900 12.457 -7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.787 10.709 -7.952 1.00 0.00 H new ATOM 1516 N GLY A 92 9.076 13.713 -9.730 1.00 0.00 N ATOM 1517 CA GLY A 92 7.970 14.179 -10.546 1.00 0.00 C ATOM 1518 C GLY A 92 6.648 14.147 -9.803 1.00 0.00 C ATOM 1519 O GLY A 92 6.493 14.801 -8.771 1.00 0.00 O ATOM 0 H GLY A 92 9.818 14.397 -9.582 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.172 15.197 -10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.896 13.560 -11.440 1.00 0.00 H new ATOM 1523 N GLU A 93 5.693 13.386 -10.326 1.00 0.00 N ATOM 1524 CA GLU A 93 4.380 13.271 -9.704 1.00 0.00 C ATOM 1525 C GLU A 93 3.928 11.812 -9.651 1.00 0.00 C ATOM 1526 O GLU A 93 4.210 11.036 -10.563 1.00 0.00 O ATOM 1527 CB GLU A 93 3.353 14.107 -10.472 1.00 0.00 C ATOM 1528 CG GLU A 93 3.532 15.605 -10.293 1.00 0.00 C ATOM 1529 CD GLU A 93 2.289 16.389 -10.667 1.00 0.00 C ATOM 1530 OE1 GLU A 93 1.227 16.144 -10.056 1.00 0.00 O ATOM 1531 OE2 GLU A 93 2.377 17.248 -11.569 1.00 0.00 O ATOM 0 H GLU A 93 5.804 12.839 -11.180 1.00 0.00 H new ATOM 0 HA GLU A 93 4.455 13.647 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.421 13.866 -11.533 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.352 13.828 -10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.791 15.815 -9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.368 15.943 -10.905 1.00 0.00 H new ATOM 1538 N PRO A 94 3.204 11.420 -8.586 1.00 0.00 N ATOM 1539 CA PRO A 94 2.701 10.057 -8.425 1.00 0.00 C ATOM 1540 C PRO A 94 1.487 9.810 -9.303 1.00 0.00 C ATOM 1541 O PRO A 94 0.531 10.586 -9.272 1.00 0.00 O ATOM 1542 CB PRO A 94 2.304 9.981 -6.937 1.00 0.00 C ATOM 1543 CG PRO A 94 2.706 11.289 -6.335 1.00 0.00 C ATOM 1544 CD PRO A 94 2.790 12.268 -7.467 1.00 0.00 C ATOM 0 HA PRO A 94 3.441 9.310 -8.712 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.232 9.814 -6.827 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.808 9.152 -6.441 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.977 11.615 -5.593 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.665 11.203 -5.824 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.832 12.752 -7.657 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.513 13.059 -7.267 1.00 0.00 H new ATOM 1552 N TRP A 95 1.507 8.735 -10.084 1.00 0.00 N ATOM 1553 CA TRP A 95 0.371 8.441 -10.943 1.00 0.00 C ATOM 1554 C TRP A 95 0.079 6.951 -11.045 1.00 0.00 C ATOM 1555 O TRP A 95 -0.981 6.492 -10.622 1.00 0.00 O ATOM 1556 CB TRP A 95 0.557 9.037 -12.344 1.00 0.00 C ATOM 1557 CG TRP A 95 1.846 8.685 -13.046 1.00 0.00 C ATOM 1558 CD1 TRP A 95 3.017 9.382 -12.996 1.00 0.00 C ATOM 1559 CD2 TRP A 95 2.085 7.573 -13.927 1.00 0.00 C ATOM 1560 NE1 TRP A 95 3.961 8.792 -13.804 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.414 7.682 -14.387 1.00 0.00 C ATOM 1562 CE3 TRP A 95 1.308 6.499 -14.374 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 3.974 6.767 -15.277 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.868 5.589 -15.253 1.00 0.00 C ATOM 1565 CH2 TRP A 95 3.187 5.732 -15.700 1.00 0.00 C ATOM 0 H TRP A 95 2.278 8.069 -10.139 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.491 8.912 -10.470 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.275 8.712 -12.969 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.493 10.122 -12.267 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.180 10.271 -12.406 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.914 9.128 -13.945 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.288 6.382 -14.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.993 6.872 -15.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.277 4.754 -15.600 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.591 5.010 -16.394 1.00 0.00 H new ATOM 1576 N GLY A 96 1.011 6.204 -11.621 1.00 0.00 N ATOM 1577 CA GLY A 96 0.825 4.770 -11.790 1.00 0.00 C ATOM 1578 C GLY A 96 -0.604 4.395 -12.157 1.00 0.00 C ATOM 1579 O GLY A 96 -0.999 4.494 -13.317 1.00 0.00 O ATOM 0 H GLY A 96 1.897 6.564 -11.977 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.500 4.411 -12.567 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.102 4.262 -10.866 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.372 3.970 -11.152 1.00 0.00 N ATOM 1584 CA LYS A 97 -2.771 3.577 -11.341 1.00 0.00 C ATOM 1585 C LYS A 97 -3.297 2.867 -10.092 1.00 0.00 C ATOM 1586 O LYS A 97 -3.632 1.683 -10.133 1.00 0.00 O ATOM 1587 CB LYS A 97 -2.928 2.663 -12.565 1.00 0.00 C ATOM 1588 CG LYS A 97 -4.337 2.117 -12.745 1.00 0.00 C ATOM 1589 CD LYS A 97 -4.354 0.597 -12.731 1.00 0.00 C ATOM 1590 CE LYS A 97 -5.773 0.056 -12.672 1.00 0.00 C ATOM 1591 NZ LYS A 97 -5.860 -1.186 -11.857 1.00 0.00 N ATOM 0 H LYS A 97 -1.045 3.889 -10.189 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.353 4.483 -11.511 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.646 3.218 -13.460 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.233 1.828 -12.475 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.979 2.496 -11.950 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.750 2.477 -13.687 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.856 0.218 -13.624 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.789 0.234 -11.873 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.433 0.814 -12.250 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.126 -0.148 -13.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.844 -1.523 -11.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.250 -1.918 -12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.547 -0.986 -10.885 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.361 3.598 -8.982 1.00 0.00 N ATOM 1606 CA GLU A 98 -3.841 3.036 -7.721 1.00 0.00 C ATOM 1607 C GLU A 98 -5.341 3.258 -7.553 1.00 0.00 C ATOM 1608 O GLU A 98 -6.082 2.325 -7.245 1.00 0.00 O ATOM 1609 CB GLU A 98 -3.086 3.657 -6.543 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.311 5.153 -6.393 1.00 0.00 C ATOM 1611 CD GLU A 98 -2.397 5.779 -5.359 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -1.220 6.042 -5.688 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -2.857 6.008 -4.221 1.00 0.00 O ATOM 0 H GLU A 98 -3.087 4.579 -8.929 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.656 1.962 -7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.392 3.159 -5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.019 3.470 -6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.151 5.639 -7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.349 5.334 -6.113 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.790 4.496 -7.759 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.203 4.796 -7.622 1.00 0.00 C ATOM 1622 C GLY A 99 -7.496 6.283 -7.549 1.00 0.00 C ATOM 1623 O GLY A 99 -7.468 6.979 -8.564 1.00 0.00 O ATOM 0 H GLY A 99 -5.203 5.290 -8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.742 4.367 -8.467 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.584 4.313 -6.722 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.797 6.766 -6.346 1.00 0.00 N ATOM 1628 CA GLN A 100 -8.119 8.176 -6.141 1.00 0.00 C ATOM 1629 C GLN A 100 -6.896 8.987 -5.730 1.00 0.00 C ATOM 1630 O GLN A 100 -6.350 8.806 -4.643 1.00 0.00 O ATOM 1631 CB GLN A 100 -9.211 8.314 -5.078 1.00 0.00 C ATOM 1632 CG GLN A 100 -10.620 8.174 -5.632 1.00 0.00 C ATOM 1633 CD GLN A 100 -10.864 6.816 -6.263 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -10.293 6.490 -7.303 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -11.719 6.017 -5.634 1.00 0.00 N ATOM 0 H GLN A 100 -7.825 6.201 -5.497 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.476 8.572 -7.092 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.055 7.558 -4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.115 9.286 -4.594 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.340 8.333 -4.829 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.794 8.953 -6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.170 6.329 -4.774 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.925 5.092 -6.011 1.00 0.00 H new ATOM 1644 N PRO A 101 -6.461 9.910 -6.603 1.00 0.00 N ATOM 1645 CA PRO A 101 -5.309 10.777 -6.340 1.00 0.00 C ATOM 1646 C PRO A 101 -5.316 11.346 -4.922 1.00 0.00 C ATOM 1647 O PRO A 101 -6.377 11.619 -4.359 1.00 0.00 O ATOM 1648 CB PRO A 101 -5.509 11.892 -7.359 1.00 0.00 C ATOM 1649 CG PRO A 101 -6.141 11.214 -8.518 1.00 0.00 C ATOM 1650 CD PRO A 101 -7.069 10.194 -7.922 1.00 0.00 C ATOM 0 HA PRO A 101 -4.359 10.249 -6.422 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.146 12.683 -6.964 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.561 12.354 -7.636 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.685 11.924 -9.141 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.392 10.741 -9.153 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.083 10.582 -7.822 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.130 9.297 -8.538 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.129 11.524 -4.350 1.00 0.00 N ATOM 1659 CA GLY A 102 -4.028 12.060 -3.004 1.00 0.00 C ATOM 1660 C GLY A 102 -2.973 13.146 -2.883 1.00 0.00 C ATOM 1661 O GLY A 102 -2.269 13.447 -3.846 1.00 0.00 O ATOM 0 H GLY A 102 -3.236 11.307 -4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.995 12.464 -2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.792 11.251 -2.312 1.00 0.00 H new ATOM 1665 N GLU A 103 -2.863 13.729 -1.691 1.00 0.00 N ATOM 1666 CA GLU A 103 -1.883 14.783 -1.439 1.00 0.00 C ATOM 1667 C GLU A 103 -0.916 14.365 -0.335 1.00 0.00 C ATOM 1668 O GLU A 103 -1.255 13.548 0.520 1.00 0.00 O ATOM 1669 CB GLU A 103 -2.590 16.083 -1.054 1.00 0.00 C ATOM 1670 CG GLU A 103 -3.604 16.552 -2.084 1.00 0.00 C ATOM 1671 CD GLU A 103 -3.000 16.698 -3.468 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -1.876 17.230 -3.572 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -3.653 16.279 -4.447 1.00 0.00 O ATOM 0 H GLU A 103 -3.440 13.489 -0.885 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.314 14.948 -2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.094 15.943 -0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.843 16.864 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.431 15.843 -2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.020 17.509 -1.770 1.00 0.00 H new ATOM 1680 N TRP A 104 0.290 14.928 -0.361 1.00 0.00 N ATOM 1681 CA TRP A 104 1.306 14.599 0.643 1.00 0.00 C ATOM 1682 C TRP A 104 0.797 14.923 2.046 1.00 0.00 C ATOM 1683 O TRP A 104 0.699 16.089 2.428 1.00 0.00 O ATOM 1684 CB TRP A 104 2.630 15.353 0.378 1.00 0.00 C ATOM 1685 CG TRP A 104 2.698 16.034 -0.957 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.664 15.436 -2.184 1.00 0.00 C ATOM 1687 CD2 TRP A 104 2.813 17.441 -1.199 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.750 16.386 -3.174 1.00 0.00 N ATOM 1689 CE2 TRP A 104 2.843 17.625 -2.594 1.00 0.00 C ATOM 1690 CE3 TRP A 104 2.893 18.564 -0.370 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 2.948 18.884 -3.178 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 2.998 19.814 -0.951 1.00 0.00 C ATOM 1693 CH2 TRP A 104 3.024 19.966 -2.343 1.00 0.00 C ATOM 0 H TRP A 104 0.589 15.609 -1.059 1.00 0.00 H new ATOM 0 HA TRP A 104 1.503 13.529 0.571 1.00 0.00 H new ATOM 0 HB2 TRP A 104 2.772 16.098 1.160 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.458 14.648 0.455 1.00 0.00 H new ATOM 0 HD1 TRP A 104 2.582 14.372 -2.352 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.745 16.200 -4.177 1.00 0.00 H new ATOM 0 HE3 TRP A 104 2.873 18.457 0.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 2.969 19.003 -4.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 3.061 20.689 -0.320 1.00 0.00 H new ATOM 0 HH2 TRP A 104 3.106 20.956 -2.766 1.00 0.00 H new ATOM 1704 N MET A 105 0.475 13.880 2.812 1.00 0.00 N ATOM 1705 CA MET A 105 -0.024 14.055 4.175 1.00 0.00 C ATOM 1706 C MET A 105 0.896 13.380 5.187 1.00 0.00 C ATOM 1707 O MET A 105 1.455 12.315 4.921 1.00 0.00 O ATOM 1708 CB MET A 105 -1.451 13.510 4.302 1.00 0.00 C ATOM 1709 CG MET A 105 -1.532 11.993 4.374 1.00 0.00 C ATOM 1710 SD MET A 105 -1.383 11.369 6.060 1.00 0.00 S ATOM 1711 CE MET A 105 -3.099 11.365 6.573 1.00 0.00 C ATOM 0 H MET A 105 0.551 12.908 2.512 1.00 0.00 H new ATOM 0 HA MET A 105 -0.040 15.123 4.391 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.911 13.931 5.196 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.037 13.854 3.450 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.481 11.663 3.951 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.742 11.561 3.760 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.195 11.884 7.527 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.705 11.872 5.822 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.443 10.337 6.684 1.00 0.00 H new ATOM 1721 N SER A 106 1.055 14.010 6.348 1.00 0.00 N ATOM 1722 CA SER A 106 1.912 13.477 7.401 1.00 0.00 C ATOM 1723 C SER A 106 1.459 12.086 7.832 1.00 0.00 C ATOM 1724 O SER A 106 0.356 11.915 8.351 1.00 0.00 O ATOM 1725 CB SER A 106 1.917 14.418 8.608 1.00 0.00 C ATOM 1726 OG SER A 106 0.598 14.781 8.976 1.00 0.00 O ATOM 0 H SER A 106 0.600 14.892 6.583 1.00 0.00 H new ATOM 0 HA SER A 106 2.923 13.399 7.000 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.412 13.933 9.449 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.492 15.314 8.373 1.00 0.00 H new ATOM 0 HG SER A 106 0.010 14.001 8.899 1.00 0.00 H new ATOM 1732 N LEU A 107 2.318 11.095 7.613 1.00 0.00 N ATOM 1733 CA LEU A 107 2.006 9.715 7.983 1.00 0.00 C ATOM 1734 C LEU A 107 1.984 9.533 9.501 1.00 0.00 C ATOM 1735 O LEU A 107 1.432 8.558 10.010 1.00 0.00 O ATOM 1736 CB LEU A 107 3.023 8.752 7.365 1.00 0.00 C ATOM 1737 CG LEU A 107 2.555 7.297 7.226 1.00 0.00 C ATOM 1738 CD1 LEU A 107 2.638 6.579 8.564 1.00 0.00 C ATOM 1739 CD2 LEU A 107 1.136 7.229 6.673 1.00 0.00 C ATOM 0 H LEU A 107 3.234 11.220 7.182 1.00 0.00 H new ATOM 0 HA LEU A 107 1.012 9.490 7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.295 9.124 6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.928 8.768 7.972 1.00 0.00 H new ATOM 0 HG LEU A 107 3.218 6.796 6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.302 5.549 8.446 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.669 6.586 8.917 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.002 7.087 9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.829 6.187 6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.457 7.751 7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.105 7.701 5.691 1.00 0.00 H new ATOM 1751 N VAL A 108 2.597 10.471 10.218 1.00 0.00 N ATOM 1752 CA VAL A 108 2.660 10.413 11.676 1.00 0.00 C ATOM 1753 C VAL A 108 1.277 10.250 12.311 1.00 0.00 C ATOM 1754 O VAL A 108 1.170 9.892 13.483 1.00 0.00 O ATOM 1755 CB VAL A 108 3.332 11.675 12.253 1.00 0.00 C ATOM 1756 CG1 VAL A 108 2.520 12.917 11.919 1.00 0.00 C ATOM 1757 CG2 VAL A 108 3.523 11.542 13.757 1.00 0.00 C ATOM 0 H VAL A 108 3.059 11.284 9.811 1.00 0.00 H new ATOM 0 HA VAL A 108 3.257 9.534 11.920 1.00 0.00 H new ATOM 0 HB VAL A 108 4.315 11.779 11.794 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.012 13.796 12.335 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.444 13.022 10.837 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.521 12.824 12.345 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.999 12.443 14.144 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.553 11.409 14.237 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.154 10.679 13.969 1.00 0.00 H new ATOM 1767 N GLY A 109 0.224 10.518 11.542 1.00 0.00 N ATOM 1768 CA GLY A 109 -1.121 10.392 12.073 1.00 0.00 C ATOM 1769 C GLY A 109 -2.021 9.536 11.204 1.00 0.00 C ATOM 1770 O GLY A 109 -3.162 9.903 10.924 1.00 0.00 O ATOM 0 H GLY A 109 0.278 10.818 10.569 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.072 9.960 13.073 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.560 11.384 12.175 1.00 0.00 H new ATOM 1774 N LEU A 110 -1.505 8.388 10.783 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.254 7.465 9.950 1.00 0.00 C ATOM 1776 C LEU A 110 -3.499 6.963 10.687 1.00 0.00 C ATOM 1777 O LEU A 110 -3.453 6.698 11.888 1.00 0.00 O ATOM 1778 CB LEU A 110 -1.330 6.311 9.545 1.00 0.00 C ATOM 1779 CG LEU A 110 -1.280 5.099 10.488 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -0.143 4.173 10.085 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -1.114 5.530 11.941 1.00 0.00 C ATOM 0 H LEU A 110 -0.561 8.075 11.009 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.602 7.971 9.050 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.635 5.962 8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.319 6.705 9.444 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.228 4.567 10.403 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.115 3.317 10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.301 3.826 9.064 1.00 0.00 H new ATOM 0 HD13 LEU A 110 0.803 4.712 10.143 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.082 4.648 12.581 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.186 6.091 12.050 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.955 6.159 12.232 1.00 0.00 H new ATOM 1793 N ASN A 111 -4.627 6.879 9.979 1.00 0.00 N ATOM 1794 CA ASN A 111 -5.877 6.454 10.605 1.00 0.00 C ATOM 1795 C ASN A 111 -6.517 5.246 9.931 1.00 0.00 C ATOM 1796 O ASN A 111 -6.814 5.265 8.736 1.00 0.00 O ATOM 1797 CB ASN A 111 -6.868 7.620 10.632 1.00 0.00 C ATOM 1798 CG ASN A 111 -7.264 8.012 12.042 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -7.369 9.195 12.363 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -7.485 7.016 12.893 1.00 0.00 N ATOM 0 H ASN A 111 -4.700 7.097 8.985 1.00 0.00 H new ATOM 0 HA ASN A 111 -5.625 6.145 11.619 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.426 8.480 10.130 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -7.761 7.347 10.070 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -7.754 7.218 13.856 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -7.386 6.049 12.583 1.00 0.00 H new ATOM 1807 N ALA A 112 -6.758 4.207 10.730 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.401 2.994 10.245 1.00 0.00 C ATOM 1809 C ALA A 112 -8.892 3.239 9.992 1.00 0.00 C ATOM 1810 O ALA A 112 -9.563 2.440 9.339 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.220 1.851 11.235 1.00 0.00 C ATOM 0 H ALA A 112 -6.515 4.185 11.720 1.00 0.00 H new ATOM 0 HA ALA A 112 -6.926 2.715 9.304 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.709 0.956 10.851 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.157 1.653 11.372 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.664 2.125 12.192 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.413 4.339 10.535 1.00 0.00 N ATOM 1818 CA ASP A 113 -10.825 4.677 10.375 1.00 0.00 C ATOM 1819 C ASP A 113 -11.094 5.289 9.002 1.00 0.00 C ATOM 1820 O ASP A 113 -12.017 4.879 8.300 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.298 5.641 11.477 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.172 6.195 12.332 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.500 5.398 13.019 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -9.964 7.427 12.313 1.00 0.00 O ATOM 0 H ASP A 113 -8.879 5.009 11.088 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.389 3.748 10.461 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.833 6.471 11.016 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.008 5.122 12.120 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.284 6.277 8.626 1.00 0.00 N ATOM 1830 CA ASP A 114 -10.443 6.946 7.339 1.00 0.00 C ATOM 1831 C ASP A 114 -10.097 6.014 6.182 1.00 0.00 C ATOM 1832 O ASP A 114 -10.496 6.252 5.043 1.00 0.00 O ATOM 1833 CB ASP A 114 -9.569 8.198 7.275 1.00 0.00 C ATOM 1834 CG ASP A 114 -10.388 9.473 7.220 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -10.738 10.000 8.297 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -10.677 9.946 6.101 1.00 0.00 O ATOM 0 H ASP A 114 -9.513 6.630 9.193 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.490 7.235 7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -8.916 8.227 8.147 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.926 8.144 6.397 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.345 4.958 6.476 1.00 0.00 N ATOM 1842 CA PHE A 115 -8.944 4.007 5.451 1.00 0.00 C ATOM 1843 C PHE A 115 -9.824 2.752 5.497 1.00 0.00 C ATOM 1844 O PHE A 115 -10.536 2.522 6.474 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.443 3.691 5.601 1.00 0.00 C ATOM 1846 CG PHE A 115 -7.098 2.389 6.263 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -7.842 1.907 7.319 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -5.999 1.664 5.836 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.501 0.727 7.944 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.653 0.482 6.450 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.405 0.013 7.508 1.00 0.00 C ATOM 0 H PHE A 115 -9.003 4.742 7.412 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.092 4.445 4.464 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -6.991 3.700 4.609 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -6.979 4.497 6.170 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.703 2.461 7.661 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.406 2.030 5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.090 0.363 8.773 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.796 -0.077 6.105 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.135 -0.913 7.994 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.805 1.934 4.430 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.623 0.716 4.355 1.00 0.00 C ATOM 1863 C PRO A 116 -10.296 -0.288 5.460 1.00 0.00 C ATOM 1864 O PRO A 116 -9.132 -0.490 5.803 1.00 0.00 O ATOM 1865 CB PRO A 116 -10.282 0.129 2.979 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.995 0.769 2.588 1.00 0.00 C ATOM 1867 CD PRO A 116 -9.004 2.135 3.213 1.00 0.00 C ATOM 0 HA PRO A 116 -11.682 0.940 4.486 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -10.184 -0.955 3.027 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -11.066 0.346 2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -8.146 0.184 2.941 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.907 0.837 1.504 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.996 2.480 3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.451 2.878 2.553 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.330 -0.937 6.031 1.00 0.00 N ATOM 1876 CA PRO A 117 -11.154 -1.927 7.100 1.00 0.00 C ATOM 1877 C PRO A 117 -10.489 -3.211 6.609 1.00 0.00 C ATOM 1878 O PRO A 117 -10.028 -4.026 7.409 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.585 -2.213 7.562 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.433 -1.899 6.381 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.753 -0.758 5.677 1.00 0.00 C ATOM 0 HA PRO A 117 -10.501 -1.555 7.889 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.702 -3.253 7.868 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.855 -1.596 8.419 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.524 -2.764 5.724 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.442 -1.623 6.687 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.907 -0.802 4.599 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -13.133 0.206 6.015 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.443 -3.388 5.291 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.835 -4.577 4.700 1.00 0.00 C ATOM 1891 C ALA A 118 -8.348 -4.668 5.028 1.00 0.00 C ATOM 1892 O ALA A 118 -7.734 -5.723 4.873 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.046 -4.580 3.193 1.00 0.00 C ATOM 0 H ALA A 118 -10.819 -2.725 4.613 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.323 -5.451 5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -9.588 -5.471 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.114 -4.579 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.587 -3.691 2.760 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.776 -3.560 5.485 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.363 -3.519 5.836 1.00 0.00 C ATOM 1901 C ASN A 119 -6.169 -3.052 7.277 1.00 0.00 C ATOM 1902 O ASN A 119 -5.052 -2.739 7.691 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.621 -2.580 4.884 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.604 -3.308 4.031 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -4.497 -3.069 2.828 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -3.850 -4.206 4.654 1.00 0.00 N ATOM 0 H ASN A 119 -8.270 -2.678 5.621 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.958 -4.527 5.745 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.341 -2.079 4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -5.118 -1.805 5.462 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -3.147 -4.731 4.134 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -3.974 -4.371 5.653 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.263 -3.001 8.037 1.00 0.00 N ATOM 1914 CA GLU A 120 -7.219 -2.559 9.428 1.00 0.00 C ATOM 1915 C GLU A 120 -6.129 -3.277 10.226 1.00 0.00 C ATOM 1916 O GLU A 120 -5.380 -2.644 10.954 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.579 -2.770 10.097 1.00 0.00 C ATOM 1918 CG GLU A 120 -9.080 -1.549 10.850 1.00 0.00 C ATOM 1919 CD GLU A 120 -9.782 -1.911 12.144 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -10.318 -3.035 12.235 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -9.798 -1.068 13.066 1.00 0.00 O ATOM 0 H GLU A 120 -8.193 -3.262 7.710 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.978 -1.496 9.421 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.311 -3.044 9.337 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.509 -3.610 10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.239 -0.891 11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -9.765 -0.990 10.213 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.033 -4.609 10.115 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.035 -5.390 10.855 1.00 0.00 C ATOM 1930 C PRO A 121 -3.623 -4.789 10.835 1.00 0.00 C ATOM 1931 O PRO A 121 -2.905 -4.865 11.831 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.051 -6.733 10.132 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.444 -6.864 9.622 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.898 -5.468 9.282 1.00 0.00 C ATOM 0 HA PRO A 121 -5.281 -5.436 11.916 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.326 -6.754 9.318 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -4.797 -7.550 10.807 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.479 -7.510 8.744 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.094 -7.313 10.374 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.773 -5.253 8.221 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.953 -5.321 9.515 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.217 -4.208 9.705 1.00 0.00 N ATOM 1943 CA VAL A 122 -1.877 -3.624 9.594 1.00 0.00 C ATOM 1944 C VAL A 122 -1.785 -2.259 10.269 1.00 0.00 C ATOM 1945 O VAL A 122 -0.905 -2.021 11.098 1.00 0.00 O ATOM 1946 CB VAL A 122 -1.445 -3.462 8.123 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.042 -3.160 8.037 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -1.791 -4.702 7.310 1.00 0.00 C ATOM 0 H VAL A 122 -3.787 -4.129 8.863 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.211 -4.323 10.100 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.994 -2.621 7.699 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.331 -3.049 6.992 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.257 -2.236 8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.606 -3.979 8.484 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.475 -4.559 6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.278 -5.567 7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.868 -4.868 7.340 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.694 -1.364 9.904 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.726 -0.014 10.457 1.00 0.00 C ATOM 1960 C ILE A 123 -3.242 -0.019 11.893 1.00 0.00 C ATOM 1961 O ILE A 123 -2.900 0.841 12.689 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.599 0.919 9.592 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.943 1.135 8.225 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.814 2.253 10.289 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -1.935 2.263 8.217 1.00 0.00 C ATOM 0 H ILE A 123 -3.427 -1.551 9.220 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.703 0.362 10.455 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.571 0.447 9.448 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.449 0.213 7.917 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.717 1.344 7.487 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.432 2.896 9.662 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.314 2.088 11.244 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.851 2.733 10.462 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.508 2.362 7.219 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.429 3.194 8.495 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.141 2.046 8.931 1.00 0.00 H new ATOM 1977 N ALA A 124 -4.062 -1.004 12.201 1.00 0.00 N ATOM 1978 CA ALA A 124 -4.629 -1.139 13.537 1.00 0.00 C ATOM 1979 C ALA A 124 -3.510 -1.150 14.576 1.00 0.00 C ATOM 1980 O ALA A 124 -3.561 -0.432 15.574 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.465 -2.405 13.640 1.00 0.00 C ATOM 0 H ALA A 124 -4.354 -1.728 11.544 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.281 -0.287 13.729 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.879 -2.487 14.645 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.278 -2.364 12.915 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.838 -3.273 13.434 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.518 -1.999 14.339 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.395 -2.148 15.255 1.00 0.00 C ATOM 1989 C LYS A 125 -0.718 -0.810 15.534 1.00 0.00 C ATOM 1990 O LYS A 125 -0.477 -0.460 16.688 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.377 -3.137 14.682 1.00 0.00 C ATOM 1992 CG LYS A 125 0.742 -3.489 15.650 1.00 0.00 C ATOM 1993 CD LYS A 125 2.039 -2.784 15.287 1.00 0.00 C ATOM 1994 CE LYS A 125 2.203 -1.487 16.061 1.00 0.00 C ATOM 1995 NZ LYS A 125 3.633 -1.182 16.339 1.00 0.00 N ATOM 0 H LYS A 125 -2.469 -2.598 13.515 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.784 -2.531 16.198 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.895 -4.051 14.391 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.057 -2.714 13.776 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.448 -3.213 16.663 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.900 -4.567 15.647 1.00 0.00 H new ATOM 0 HD2 LYS A 125 2.883 -3.442 15.495 1.00 0.00 H new ATOM 0 HD3 LYS A 125 2.054 -2.575 14.217 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.761 -0.668 15.494 1.00 0.00 H new ATOM 0 HE3 LYS A 125 1.657 -1.554 17.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.701 -0.289 16.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 4.049 -1.951 16.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 4.150 -1.092 15.441 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.412 -0.067 14.480 1.00 0.00 N ATOM 2010 CA LEU A 126 0.241 1.234 14.625 1.00 0.00 C ATOM 2011 C LEU A 126 -0.767 2.303 15.034 1.00 0.00 C ATOM 2012 O LEU A 126 -0.531 3.075 15.960 1.00 0.00 O ATOM 2013 CB LEU A 126 0.925 1.634 13.316 1.00 0.00 C ATOM 2014 CG LEU A 126 2.389 1.208 13.193 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.194 1.714 14.380 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.494 -0.305 13.078 1.00 0.00 C ATOM 0 H LEU A 126 -0.603 -0.339 13.516 1.00 0.00 H new ATOM 0 HA LEU A 126 0.994 1.151 15.408 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.366 1.203 12.485 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.868 2.717 13.210 1.00 0.00 H new ATOM 0 HG LEU A 126 2.803 1.651 12.287 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.233 1.401 14.275 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.145 2.802 14.416 1.00 0.00 H new ATOM 0 HD13 LEU A 126 2.782 1.302 15.301 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.542 -0.591 12.991 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.064 -0.768 13.966 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.952 -0.641 12.194 1.00 0.00 H new ATOM 2028 N LYS A 127 -1.871 2.356 14.303 1.00 0.00 N ATOM 2029 CA LYS A 127 -2.923 3.341 14.539 1.00 0.00 C ATOM 2030 C LYS A 127 -3.328 3.363 15.998 1.00 0.00 C ATOM 2031 O LYS A 127 -3.623 4.420 16.555 1.00 0.00 O ATOM 2032 CB LYS A 127 -4.137 3.022 13.680 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.368 3.861 13.999 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.641 3.028 13.953 1.00 0.00 C ATOM 2035 CE LYS A 127 -7.262 2.882 15.334 1.00 0.00 C ATOM 2036 NZ LYS A 127 -7.844 4.162 15.822 1.00 0.00 N ATOM 0 H LYS A 127 -2.065 1.719 13.530 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.533 4.323 14.271 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.874 3.167 12.632 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.388 1.968 13.803 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.259 4.306 14.988 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.444 4.682 13.286 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -7.358 3.495 13.278 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.417 2.041 13.547 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -8.040 2.119 15.303 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -6.504 2.537 16.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.415 3.982 16.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -7.078 4.826 16.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -8.446 4.574 15.081 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.320 2.198 16.624 1.00 0.00 N ATOM 2051 CA ARG A 128 -3.663 2.106 18.031 1.00 0.00 C ATOM 2052 C ARG A 128 -2.642 2.895 18.848 1.00 0.00 C ATOM 2053 O ARG A 128 -2.845 3.164 20.032 1.00 0.00 O ATOM 2054 CB ARG A 128 -3.691 0.639 18.469 1.00 0.00 C ATOM 2055 CG ARG A 128 -3.879 0.438 19.965 1.00 0.00 C ATOM 2056 CD ARG A 128 -3.565 -0.990 20.382 1.00 0.00 C ATOM 2057 NE ARG A 128 -4.739 -1.677 20.917 1.00 0.00 N ATOM 2058 CZ ARG A 128 -5.669 -2.256 20.162 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -5.574 -2.230 18.839 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -6.701 -2.864 20.733 1.00 0.00 N ATOM 0 H ARG A 128 -3.082 1.310 16.183 1.00 0.00 H new ATOM 0 HA ARG A 128 -4.654 2.529 18.197 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.497 0.129 17.941 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -2.759 0.163 18.164 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -3.233 1.127 20.509 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -4.906 0.680 20.239 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -3.182 -1.542 19.524 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -2.776 -0.983 21.134 1.00 0.00 H new ATOM 0 HE ARG A 128 -4.852 -1.715 21.930 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -4.784 -1.764 18.394 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -6.291 -2.676 18.267 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -6.781 -2.887 21.750 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -7.415 -3.308 20.155 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.545 3.278 18.186 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.478 4.054 18.819 1.00 0.00 C ATOM 2076 C LEU A 129 -0.183 3.553 20.231 1.00 0.00 C ATOM 2077 O LEU A 129 -0.236 2.353 20.499 1.00 0.00 O ATOM 2078 CB LEU A 129 -0.851 5.539 18.856 1.00 0.00 C ATOM 2079 CG LEU A 129 -1.477 6.088 17.567 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -2.851 6.680 17.848 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -0.572 7.134 16.927 1.00 0.00 C ATOM 0 H LEU A 129 -1.374 3.060 17.204 1.00 0.00 H new ATOM 0 HA LEU A 129 0.424 3.925 18.221 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.549 5.702 19.678 1.00 0.00 H new ATOM 0 HB3 LEU A 129 0.046 6.117 19.080 1.00 0.00 H new ATOM 0 HG LEU A 129 -1.592 5.259 16.868 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.278 7.064 16.922 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.503 5.908 18.256 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -2.757 7.493 18.568 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.037 7.508 16.015 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.421 7.959 17.623 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.390 6.683 16.685 1.00 0.00 H new