USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 767 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 MET CE :methyl -136:sc= -1.38 (180deg=-2.97!) USER MOD Set 1.2: A 40 HIS : no HD1:sc= -1.09 K(o=-2.5,f=-3) USER MOD Set 2.1: A 19 GLN : amide:sc= -0.207 K(o=-0.21,f=-2!) USER MOD Set 2.2: A 22 HIS : no HD1:sc= -0.0012 X(o=-0.21,f=-0.21) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 1.16 (180deg=0.184) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.0985 F(o=-0.66,f=-0.098) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0563) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.047) USER MOD Single : A 33 THR OG1 : rot 51:sc= 0.478 USER MOD Single : A 43 SER OG : rot 87:sc= 0.00323 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -157:sc= -0.312 (180deg=-1.17) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0.012) USER MOD Single : A 48 ASN : amide:sc= -1.08 K(o=-1.1,f=-5.2!) USER MOD Single : A 50 ASN : amide:sc=-0.00231 K(o=-0.0023,f=-0.83) USER MOD Single : A 53 SER OG : rot 180:sc= -0.205 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 116:sc= 0.257 USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 72 THR OG1 : rot 80:sc= 0.376 USER MOD Single : A 80 LYS NZ :NH3+ -136:sc= 0.115 (180deg=-0.0985) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 80:sc= 0.591 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.085 X(o=-0.085,f=-0.0009) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.471 8.343 6.338 1.00 0.00 N ATOM 2 CA MET A 1 -12.575 9.761 5.894 1.00 0.00 C ATOM 3 C MET A 1 -11.190 10.352 5.608 1.00 0.00 C ATOM 4 O MET A 1 -10.871 11.458 6.049 1.00 0.00 O ATOM 5 CB MET A 1 -13.293 10.565 6.988 1.00 0.00 C ATOM 6 CG MET A 1 -14.256 11.610 6.444 1.00 0.00 C ATOM 7 SD MET A 1 -15.923 11.433 7.112 1.00 0.00 S ATOM 8 CE MET A 1 -16.478 13.136 7.108 1.00 0.00 C ATOM 0 H1 MET A 1 -13.249 8.126 6.993 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.530 7.715 5.511 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.561 8.196 6.820 1.00 0.00 H new ATOM 0 HA MET A 1 -13.145 9.809 4.966 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.842 9.877 7.631 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.548 11.059 7.612 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.878 12.605 6.680 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.294 11.533 5.357 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.496 13.188 7.495 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.819 13.735 7.737 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.457 13.523 6.089 1.00 0.00 H new ATOM 20 N VAL A 2 -10.372 9.604 4.866 1.00 0.00 N ATOM 21 CA VAL A 2 -9.024 10.047 4.520 1.00 0.00 C ATOM 22 C VAL A 2 -8.666 9.642 3.090 1.00 0.00 C ATOM 23 O VAL A 2 -8.803 8.476 2.714 1.00 0.00 O ATOM 24 CB VAL A 2 -7.972 9.472 5.497 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.976 7.948 5.465 1.00 0.00 C ATOM 26 CG2 VAL A 2 -6.587 10.018 5.176 1.00 0.00 C ATOM 0 H VAL A 2 -10.621 8.688 4.494 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.014 11.134 4.597 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.237 9.787 6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.228 7.568 6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.961 7.581 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.743 7.605 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.861 9.602 5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.313 9.739 4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.595 11.104 5.265 1.00 0.00 H new ATOM 36 N ASN A 3 -8.210 10.614 2.299 1.00 0.00 N ATOM 37 CA ASN A 3 -7.835 10.363 0.909 1.00 0.00 C ATOM 38 C ASN A 3 -6.317 10.346 0.746 1.00 0.00 C ATOM 39 O ASN A 3 -5.698 11.379 0.485 1.00 0.00 O ATOM 40 CB ASN A 3 -8.448 11.424 -0.010 1.00 0.00 C ATOM 41 CG ASN A 3 -9.951 11.272 -0.158 1.00 0.00 C ATOM 42 OD1 ASN A 3 -10.394 10.106 -0.622 1.00 0.00 O flip ATOM 43 ND2 ASN A 3 -10.709 12.192 0.143 1.00 0.00 N flip ATOM 0 H ASN A 3 -8.092 11.582 2.598 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.222 9.384 0.628 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.224 12.415 0.386 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.982 11.361 -0.993 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.330 13.071 0.495 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.717 12.076 0.040 1.00 0.00 H new ATOM 50 N VAL A 4 -5.723 9.164 0.903 1.00 0.00 N ATOM 51 CA VAL A 4 -4.274 9.008 0.775 1.00 0.00 C ATOM 52 C VAL A 4 -3.852 8.850 -0.687 1.00 0.00 C ATOM 53 O VAL A 4 -4.608 8.328 -1.509 1.00 0.00 O ATOM 54 CB VAL A 4 -3.761 7.796 1.582 1.00 0.00 C ATOM 55 CG1 VAL A 4 -3.967 8.020 3.073 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.446 6.515 1.125 1.00 0.00 C ATOM 0 H VAL A 4 -6.222 8.301 1.119 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.829 9.918 1.177 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.692 7.690 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.599 7.155 3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.420 8.910 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.029 8.156 3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.070 5.674 1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.522 6.605 1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.237 6.348 0.068 1.00 0.00 H new ATOM 66 N LYS A 5 -2.638 9.306 -0.998 1.00 0.00 N ATOM 67 CA LYS A 5 -2.102 9.221 -2.355 1.00 0.00 C ATOM 68 C LYS A 5 -0.944 8.224 -2.418 1.00 0.00 C ATOM 69 O LYS A 5 0.132 8.476 -1.872 1.00 0.00 O ATOM 70 CB LYS A 5 -1.631 10.602 -2.824 1.00 0.00 C ATOM 71 CG LYS A 5 -1.429 10.707 -4.329 1.00 0.00 C ATOM 72 CD LYS A 5 -2.599 11.405 -5.005 1.00 0.00 C ATOM 73 CE LYS A 5 -2.217 11.929 -6.382 1.00 0.00 C ATOM 74 NZ LYS A 5 -3.094 13.054 -6.815 1.00 0.00 N ATOM 0 H LYS A 5 -2.006 9.739 -0.325 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.895 8.872 -3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.361 11.349 -2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.693 10.844 -2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.510 11.255 -4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.307 9.709 -4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.434 10.710 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.940 12.232 -4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.180 12.263 -6.368 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.281 11.119 -7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.800 13.381 -7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.081 12.729 -6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.014 13.838 -6.136 1.00 0.00 H new ATOM 88 N VAL A 6 -1.172 7.094 -3.087 1.00 0.00 N ATOM 89 CA VAL A 6 -0.147 6.058 -3.222 1.00 0.00 C ATOM 90 C VAL A 6 0.454 6.060 -4.624 1.00 0.00 C ATOM 91 O VAL A 6 -0.243 6.316 -5.606 1.00 0.00 O ATOM 92 CB VAL A 6 -0.712 4.650 -2.931 1.00 0.00 C ATOM 93 CG1 VAL A 6 0.416 3.640 -2.763 1.00 0.00 C ATOM 94 CG2 VAL A 6 -1.606 4.667 -1.698 1.00 0.00 C ATOM 0 H VAL A 6 -2.057 6.872 -3.544 1.00 0.00 H new ATOM 0 HA VAL A 6 0.625 6.290 -2.489 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.318 4.347 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.005 2.655 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.007 3.599 -3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.054 3.942 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.991 3.664 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.029 4.998 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.439 5.351 -1.862 1.00 0.00 H new ATOM 104 N GLU A 7 1.751 5.764 -4.709 1.00 0.00 N ATOM 105 CA GLU A 7 2.447 5.725 -5.991 1.00 0.00 C ATOM 106 C GLU A 7 3.060 4.348 -6.236 1.00 0.00 C ATOM 107 O GLU A 7 4.112 4.019 -5.687 1.00 0.00 O ATOM 108 CB GLU A 7 3.534 6.802 -6.039 1.00 0.00 C ATOM 109 CG GLU A 7 2.990 8.208 -6.255 1.00 0.00 C ATOM 110 CD GLU A 7 3.795 9.270 -5.529 1.00 0.00 C ATOM 111 OE1 GLU A 7 4.073 9.090 -4.323 1.00 0.00 O ATOM 112 OE2 GLU A 7 4.149 10.283 -6.168 1.00 0.00 O ATOM 0 H GLU A 7 2.339 5.548 -3.904 1.00 0.00 H new ATOM 0 HA GLU A 7 1.719 5.922 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.098 6.779 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.234 6.565 -6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.984 8.430 -7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.955 8.248 -5.915 1.00 0.00 H new ATOM 119 N PHE A 8 2.391 3.548 -7.064 1.00 0.00 N ATOM 120 CA PHE A 8 2.862 2.203 -7.388 1.00 0.00 C ATOM 121 C PHE A 8 3.780 2.223 -8.606 1.00 0.00 C ATOM 122 O PHE A 8 3.430 2.779 -9.647 1.00 0.00 O ATOM 123 CB PHE A 8 1.676 1.273 -7.653 1.00 0.00 C ATOM 124 CG PHE A 8 0.880 0.942 -6.423 1.00 0.00 C ATOM 125 CD1 PHE A 8 -0.183 1.740 -6.031 1.00 0.00 C ATOM 126 CD2 PHE A 8 1.192 -0.172 -5.662 1.00 0.00 C ATOM 127 CE1 PHE A 8 -0.920 1.432 -4.904 1.00 0.00 C ATOM 128 CE2 PHE A 8 0.460 -0.484 -4.533 1.00 0.00 C ATOM 129 CZ PHE A 8 -0.598 0.318 -4.153 1.00 0.00 C ATOM 0 H PHE A 8 1.519 3.809 -7.524 1.00 0.00 H new ATOM 0 HA PHE A 8 3.427 1.832 -6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.018 1.739 -8.386 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.044 0.348 -8.097 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.438 2.613 -6.613 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.017 -0.804 -5.955 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.747 2.061 -4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.715 -1.355 -3.948 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.172 0.075 -3.271 1.00 0.00 H new ATOM 139 N LEU A 9 4.957 1.612 -8.469 1.00 0.00 N ATOM 140 CA LEU A 9 5.927 1.563 -9.561 1.00 0.00 C ATOM 141 C LEU A 9 6.579 0.187 -9.662 1.00 0.00 C ATOM 142 O LEU A 9 7.244 -0.264 -8.729 1.00 0.00 O ATOM 143 CB LEU A 9 7.003 2.633 -9.366 1.00 0.00 C ATOM 144 CG LEU A 9 6.492 4.074 -9.394 1.00 0.00 C ATOM 145 CD1 LEU A 9 6.037 4.505 -8.009 1.00 0.00 C ATOM 146 CD2 LEU A 9 7.566 5.013 -9.921 1.00 0.00 C ATOM 0 H LEU A 9 5.261 1.145 -7.614 1.00 0.00 H new ATOM 0 HA LEU A 9 5.391 1.757 -10.490 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.500 2.458 -8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.757 2.515 -10.144 1.00 0.00 H new ATOM 0 HG LEU A 9 5.636 4.122 -10.067 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.677 5.533 -8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.233 3.851 -7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.874 4.440 -7.314 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.183 6.033 -9.933 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.443 4.962 -9.275 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.843 4.717 -10.933 1.00 0.00 H new ATOM 158 N GLY A 10 6.382 -0.471 -10.802 1.00 0.00 N ATOM 159 CA GLY A 10 6.954 -1.789 -11.013 1.00 0.00 C ATOM 160 C GLY A 10 5.990 -2.729 -11.710 1.00 0.00 C ATOM 161 O GLY A 10 5.805 -2.650 -12.925 1.00 0.00 O ATOM 0 H GLY A 10 5.835 -0.113 -11.585 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.863 -1.697 -11.608 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.243 -2.215 -10.052 1.00 0.00 H new ATOM 165 N GLY A 11 5.374 -3.620 -10.934 1.00 0.00 N ATOM 166 CA GLY A 11 4.425 -4.574 -11.488 1.00 0.00 C ATOM 167 C GLY A 11 2.982 -4.253 -11.128 1.00 0.00 C ATOM 168 O GLY A 11 2.071 -4.510 -11.917 1.00 0.00 O ATOM 0 H GLY A 11 5.516 -3.698 -9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.528 -4.592 -12.573 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.670 -5.573 -11.128 1.00 0.00 H new ATOM 172 N LEU A 12 2.774 -3.696 -9.933 1.00 0.00 N ATOM 173 CA LEU A 12 1.431 -3.348 -9.463 1.00 0.00 C ATOM 174 C LEU A 12 0.694 -2.437 -10.448 1.00 0.00 C ATOM 175 O LEU A 12 -0.508 -2.601 -10.657 1.00 0.00 O ATOM 176 CB LEU A 12 1.498 -2.679 -8.088 1.00 0.00 C ATOM 177 CG LEU A 12 1.076 -3.574 -6.920 1.00 0.00 C ATOM 178 CD1 LEU A 12 2.017 -3.394 -5.737 1.00 0.00 C ATOM 179 CD2 LEU A 12 -0.366 -3.283 -6.521 1.00 0.00 C ATOM 0 H LEU A 12 3.519 -3.476 -9.272 1.00 0.00 H new ATOM 0 HA LEU A 12 0.870 -4.279 -9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.518 -2.336 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.862 -1.794 -8.098 1.00 0.00 H new ATOM 0 HG LEU A 12 1.137 -4.614 -7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.699 -4.039 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.031 -3.659 -6.035 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.995 -2.355 -5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.651 -3.928 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.456 -2.240 -6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.024 -3.473 -7.369 1.00 0.00 H new ATOM 191 N ASP A 13 1.409 -1.483 -11.051 1.00 0.00 N ATOM 192 CA ASP A 13 0.789 -0.566 -12.012 1.00 0.00 C ATOM 193 C ASP A 13 0.161 -1.333 -13.177 1.00 0.00 C ATOM 194 O ASP A 13 -0.908 -0.965 -13.664 1.00 0.00 O ATOM 195 CB ASP A 13 1.800 0.465 -12.541 1.00 0.00 C ATOM 196 CG ASP A 13 3.088 -0.157 -13.054 1.00 0.00 C ATOM 197 OD1 ASP A 13 3.077 -0.725 -14.165 1.00 0.00 O ATOM 198 OD2 ASP A 13 4.109 -0.068 -12.344 1.00 0.00 O ATOM 0 H ASP A 13 2.405 -1.326 -10.894 1.00 0.00 H new ATOM 0 HA ASP A 13 0.002 -0.029 -11.483 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.337 1.037 -13.345 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.038 1.170 -11.745 1.00 0.00 H new ATOM 203 N ALA A 14 0.827 -2.405 -13.612 1.00 0.00 N ATOM 204 CA ALA A 14 0.326 -3.225 -14.715 1.00 0.00 C ATOM 205 C ALA A 14 -0.901 -4.025 -14.288 1.00 0.00 C ATOM 206 O ALA A 14 -1.882 -4.110 -15.026 1.00 0.00 O ATOM 207 CB ALA A 14 1.413 -4.160 -15.233 1.00 0.00 C ATOM 0 H ALA A 14 1.712 -2.724 -13.218 1.00 0.00 H new ATOM 0 HA ALA A 14 0.034 -2.554 -15.522 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.017 -4.760 -16.053 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.259 -3.572 -15.589 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.741 -4.818 -14.428 1.00 0.00 H new ATOM 213 N ILE A 15 -0.840 -4.607 -13.090 1.00 0.00 N ATOM 214 CA ILE A 15 -1.952 -5.398 -12.565 1.00 0.00 C ATOM 215 C ILE A 15 -3.175 -4.518 -12.281 1.00 0.00 C ATOM 216 O ILE A 15 -4.313 -4.960 -12.443 1.00 0.00 O ATOM 217 CB ILE A 15 -1.563 -6.155 -11.275 1.00 0.00 C ATOM 218 CG1 ILE A 15 -0.269 -6.951 -11.478 1.00 0.00 C ATOM 219 CG2 ILE A 15 -2.692 -7.082 -10.849 1.00 0.00 C ATOM 220 CD1 ILE A 15 0.222 -7.650 -10.225 1.00 0.00 C ATOM 0 H ILE A 15 -0.035 -4.546 -12.467 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.202 -6.127 -13.336 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.392 -5.422 -10.487 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.429 -7.695 -12.259 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.509 -6.277 -11.835 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.406 -7.610 -9.939 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.592 -6.497 -10.661 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.888 -7.805 -11.641 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.141 -8.192 -10.447 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.416 -6.910 -9.448 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.537 -8.351 -9.878 1.00 0.00 H new ATOM 232 N PHE A 16 -2.935 -3.275 -11.857 1.00 0.00 N ATOM 233 CA PHE A 16 -4.020 -2.343 -11.552 1.00 0.00 C ATOM 234 C PHE A 16 -4.715 -1.865 -12.825 1.00 0.00 C ATOM 235 O PHE A 16 -5.910 -2.099 -13.014 1.00 0.00 O ATOM 236 CB PHE A 16 -3.488 -1.139 -10.766 1.00 0.00 C ATOM 237 CG PHE A 16 -3.678 -1.246 -9.276 1.00 0.00 C ATOM 238 CD1 PHE A 16 -3.392 -2.425 -8.604 1.00 0.00 C ATOM 239 CD2 PHE A 16 -4.142 -0.162 -8.548 1.00 0.00 C ATOM 240 CE1 PHE A 16 -3.567 -2.520 -7.236 1.00 0.00 C ATOM 241 CE2 PHE A 16 -4.319 -0.251 -7.181 1.00 0.00 C ATOM 242 CZ PHE A 16 -4.030 -1.431 -6.524 1.00 0.00 C ATOM 0 H PHE A 16 -2.000 -2.892 -11.718 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.750 -2.874 -10.942 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.426 -1.020 -10.979 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.987 -0.237 -11.121 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.028 -3.279 -9.156 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.368 0.764 -9.056 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.342 -3.444 -6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.683 0.601 -6.626 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.166 -1.502 -5.455 1.00 0.00 H new ATOM 252 N GLY A 17 -3.960 -1.190 -13.689 1.00 0.00 N ATOM 253 CA GLY A 17 -4.513 -0.680 -14.935 1.00 0.00 C ATOM 254 C GLY A 17 -3.689 0.458 -15.508 1.00 0.00 C ATOM 255 O GLY A 17 -4.229 1.502 -15.879 1.00 0.00 O ATOM 0 H GLY A 17 -2.971 -0.986 -13.548 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.567 -1.489 -15.664 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.533 -0.336 -14.763 1.00 0.00 H new ATOM 259 N LYS A 18 -2.374 0.253 -15.568 1.00 0.00 N ATOM 260 CA LYS A 18 -1.445 1.260 -16.088 1.00 0.00 C ATOM 261 C LYS A 18 -1.564 2.577 -15.315 1.00 0.00 C ATOM 262 O LYS A 18 -1.404 3.659 -15.884 1.00 0.00 O ATOM 263 CB LYS A 18 -1.691 1.500 -17.584 1.00 0.00 C ATOM 264 CG LYS A 18 -1.047 0.457 -18.483 1.00 0.00 C ATOM 265 CD LYS A 18 -1.906 0.157 -19.701 1.00 0.00 C ATOM 266 CE LYS A 18 -1.244 -0.867 -20.610 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.220 -1.511 -21.535 1.00 0.00 N ATOM 0 H LYS A 18 -1.923 -0.609 -15.260 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.433 0.878 -15.954 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.765 1.513 -17.769 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.309 2.485 -17.853 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.068 0.810 -18.806 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.884 -0.460 -17.917 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.879 -0.215 -19.379 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.085 1.077 -20.257 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.460 -0.382 -21.192 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.762 -1.633 -20.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.726 -2.201 -22.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.954 -1.997 -20.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.662 -0.785 -22.134 1.00 0.00 H new ATOM 281 N GLN A 19 -1.838 2.479 -14.012 1.00 0.00 N ATOM 282 CA GLN A 19 -1.970 3.660 -13.164 1.00 0.00 C ATOM 283 C GLN A 19 -0.915 3.651 -12.062 1.00 0.00 C ATOM 284 O GLN A 19 -1.042 2.917 -11.079 1.00 0.00 O ATOM 285 CB GLN A 19 -3.370 3.726 -12.541 1.00 0.00 C ATOM 286 CG GLN A 19 -4.478 4.022 -13.543 1.00 0.00 C ATOM 287 CD GLN A 19 -5.381 5.164 -13.106 1.00 0.00 C ATOM 288 OE1 GLN A 19 -5.446 5.504 -11.924 1.00 0.00 O ATOM 289 NE2 GLN A 19 -6.088 5.764 -14.060 1.00 0.00 N ATOM 0 H GLN A 19 -1.972 1.593 -13.524 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.821 4.541 -13.789 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.583 2.777 -12.049 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.377 4.495 -11.768 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.033 4.266 -14.508 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.080 3.125 -13.687 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.006 5.453 -15.028 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.712 6.535 -13.824 1.00 0.00 H new ATOM 298 N ARG A 20 0.125 4.470 -12.231 1.00 0.00 N ATOM 299 CA ARG A 20 1.202 4.558 -11.246 1.00 0.00 C ATOM 300 C ARG A 20 0.658 5.024 -9.897 1.00 0.00 C ATOM 301 O ARG A 20 0.674 4.275 -8.919 1.00 0.00 O ATOM 302 CB ARG A 20 2.298 5.517 -11.730 1.00 0.00 C ATOM 303 CG ARG A 20 3.557 4.815 -12.215 1.00 0.00 C ATOM 304 CD ARG A 20 4.676 5.808 -12.502 1.00 0.00 C ATOM 305 NE ARG A 20 5.291 5.584 -13.811 1.00 0.00 N ATOM 306 CZ ARG A 20 4.751 5.975 -14.969 1.00 0.00 C ATOM 307 NH1 ARG A 20 3.575 6.601 -14.988 1.00 0.00 N ATOM 308 NH2 ARG A 20 5.387 5.740 -16.111 1.00 0.00 N ATOM 0 H ARG A 20 0.243 5.080 -13.040 1.00 0.00 H new ATOM 0 HA ARG A 20 1.634 3.565 -11.125 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.900 6.130 -12.539 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.561 6.194 -10.917 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.888 4.100 -11.462 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.333 4.247 -13.118 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.280 6.822 -12.457 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.438 5.729 -11.726 1.00 0.00 H new ATOM 0 HE ARG A 20 6.188 5.099 -13.841 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.081 6.785 -14.115 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.169 6.897 -15.876 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.288 5.261 -16.104 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.975 6.038 -16.995 1.00 0.00 H new ATOM 322 N VAL A 21 0.170 6.264 -9.854 1.00 0.00 N ATOM 323 CA VAL A 21 -0.384 6.831 -8.628 1.00 0.00 C ATOM 324 C VAL A 21 -1.884 6.556 -8.519 1.00 0.00 C ATOM 325 O VAL A 21 -2.627 6.707 -9.491 1.00 0.00 O ATOM 326 CB VAL A 21 -0.129 8.353 -8.547 1.00 0.00 C ATOM 327 CG1 VAL A 21 -0.814 9.081 -9.696 1.00 0.00 C ATOM 328 CG2 VAL A 21 -0.584 8.912 -7.204 1.00 0.00 C ATOM 0 H VAL A 21 0.148 6.894 -10.656 1.00 0.00 H new ATOM 0 HA VAL A 21 0.124 6.346 -7.795 1.00 0.00 H new ATOM 0 HB VAL A 21 0.945 8.518 -8.634 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.620 10.151 -9.617 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.425 8.711 -10.645 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.888 8.903 -9.650 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.393 9.985 -7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.651 8.729 -7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.033 8.422 -6.401 1.00 0.00 H new ATOM 338 N HIS A 22 -2.322 6.153 -7.328 1.00 0.00 N ATOM 339 CA HIS A 22 -3.731 5.857 -7.085 1.00 0.00 C ATOM 340 C HIS A 22 -4.155 6.309 -5.687 1.00 0.00 C ATOM 341 O HIS A 22 -3.431 6.101 -4.711 1.00 0.00 O ATOM 342 CB HIS A 22 -3.993 4.357 -7.253 1.00 0.00 C ATOM 343 CG HIS A 22 -5.112 4.050 -8.200 1.00 0.00 C ATOM 344 ND1 HIS A 22 -6.397 4.520 -8.027 1.00 0.00 N ATOM 345 CD2 HIS A 22 -5.131 3.319 -9.340 1.00 0.00 C ATOM 346 CE1 HIS A 22 -7.158 4.091 -9.018 1.00 0.00 C ATOM 347 NE2 HIS A 22 -6.413 3.361 -9.828 1.00 0.00 N ATOM 0 H HIS A 22 -1.720 6.024 -6.515 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.323 6.408 -7.816 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.083 3.875 -7.609 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.222 3.925 -6.279 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.294 2.800 -9.782 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.210 4.301 -9.144 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.738 2.902 -10.679 1.00 0.00 H new ATOM 356 N LYS A 23 -5.335 6.925 -5.601 1.00 0.00 N ATOM 357 CA LYS A 23 -5.861 7.406 -4.322 1.00 0.00 C ATOM 358 C LYS A 23 -6.856 6.409 -3.727 1.00 0.00 C ATOM 359 O LYS A 23 -7.638 5.792 -4.452 1.00 0.00 O ATOM 360 CB LYS A 23 -6.527 8.775 -4.492 1.00 0.00 C ATOM 361 CG LYS A 23 -7.618 8.811 -5.554 1.00 0.00 C ATOM 362 CD LYS A 23 -7.280 9.790 -6.669 1.00 0.00 C ATOM 363 CE LYS A 23 -8.101 11.067 -6.563 1.00 0.00 C ATOM 364 NZ LYS A 23 -7.791 11.834 -5.320 1.00 0.00 N ATOM 0 H LYS A 23 -5.944 7.102 -6.400 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.022 7.506 -3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.955 9.079 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.763 9.509 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.752 7.814 -5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.565 9.094 -5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.219 10.035 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.462 9.319 -7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.908 11.695 -7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.162 10.817 -6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.373 12.696 -5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.999 11.246 -4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.784 12.096 -5.315 1.00 0.00 H new ATOM 378 N ILE A 24 -6.814 6.258 -2.402 1.00 0.00 N ATOM 379 CA ILE A 24 -7.706 5.334 -1.703 1.00 0.00 C ATOM 380 C ILE A 24 -8.346 6.000 -0.486 1.00 0.00 C ATOM 381 O ILE A 24 -7.710 6.804 0.201 1.00 0.00 O ATOM 382 CB ILE A 24 -6.956 4.060 -1.248 1.00 0.00 C ATOM 383 CG1 ILE A 24 -6.171 3.453 -2.417 1.00 0.00 C ATOM 384 CG2 ILE A 24 -7.931 3.038 -0.672 1.00 0.00 C ATOM 385 CD1 ILE A 24 -4.960 2.657 -1.987 1.00 0.00 C ATOM 0 H ILE A 24 -6.172 6.764 -1.792 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.486 5.052 -2.410 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.250 4.339 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.834 2.807 -2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.851 4.254 -3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.383 2.149 -0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.445 3.470 0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.662 2.764 -1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.455 2.259 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.276 3.304 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.275 1.834 -1.346 1.00 0.00 H new ATOM 397 N LYS A 25 -9.609 5.657 -0.225 1.00 0.00 N ATOM 398 CA LYS A 25 -10.343 6.216 0.908 1.00 0.00 C ATOM 399 C LYS A 25 -10.770 5.118 1.883 1.00 0.00 C ATOM 400 O LYS A 25 -11.446 4.162 1.497 1.00 0.00 O ATOM 401 CB LYS A 25 -11.572 6.995 0.419 1.00 0.00 C ATOM 402 CG LYS A 25 -12.564 6.154 -0.375 1.00 0.00 C ATOM 403 CD LYS A 25 -13.543 7.027 -1.146 1.00 0.00 C ATOM 404 CE LYS A 25 -14.815 6.270 -1.505 1.00 0.00 C ATOM 405 NZ LYS A 25 -14.531 5.038 -2.295 1.00 0.00 N ATOM 0 H LYS A 25 -10.144 4.993 -0.785 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.677 6.900 1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.083 7.424 1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.239 7.827 -0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.023 5.511 -1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.113 5.501 0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.797 7.903 -0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.067 7.390 -2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.346 6.000 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.475 6.922 -2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.427 4.600 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.974 5.286 -3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.994 4.367 -1.710 1.00 0.00 H new ATOM 419 N MET A 26 -10.371 5.261 3.148 1.00 0.00 N ATOM 420 CA MET A 26 -10.717 4.280 4.175 1.00 0.00 C ATOM 421 C MET A 26 -11.448 4.944 5.340 1.00 0.00 C ATOM 422 O MET A 26 -10.910 5.841 5.992 1.00 0.00 O ATOM 423 CB MET A 26 -9.460 3.566 4.681 1.00 0.00 C ATOM 424 CG MET A 26 -9.532 2.053 4.548 1.00 0.00 C ATOM 425 SD MET A 26 -8.420 1.196 5.681 1.00 0.00 S ATOM 426 CE MET A 26 -9.143 -0.444 5.697 1.00 0.00 C ATOM 0 H MET A 26 -9.810 6.044 3.484 1.00 0.00 H new ATOM 0 HA MET A 26 -11.383 3.544 3.725 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.595 3.932 4.127 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.301 3.824 5.728 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.555 1.725 4.733 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.287 1.771 3.524 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.182 -0.814 6.721 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.152 -0.401 5.288 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.535 -1.116 5.091 1.00 0.00 H new ATOM 436 N ASP A 27 -12.677 4.495 5.593 1.00 0.00 N ATOM 437 CA ASP A 27 -13.491 5.041 6.677 1.00 0.00 C ATOM 438 C ASP A 27 -14.014 3.927 7.588 1.00 0.00 C ATOM 439 O ASP A 27 -15.200 3.883 7.917 1.00 0.00 O ATOM 440 CB ASP A 27 -14.660 5.847 6.099 1.00 0.00 C ATOM 441 CG ASP A 27 -15.356 6.699 7.145 1.00 0.00 C ATOM 442 OD1 ASP A 27 -14.668 7.500 7.813 1.00 0.00 O ATOM 443 OD2 ASP A 27 -16.588 6.566 7.293 1.00 0.00 O ATOM 0 H ASP A 27 -13.131 3.753 5.060 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.864 5.700 7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.293 6.489 5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.383 5.163 5.653 1.00 0.00 H new ATOM 448 N LYS A 28 -13.117 3.030 7.996 1.00 0.00 N ATOM 449 CA LYS A 28 -13.488 1.920 8.872 1.00 0.00 C ATOM 450 C LYS A 28 -13.488 2.355 10.339 1.00 0.00 C ATOM 451 O LYS A 28 -14.331 1.916 11.123 1.00 0.00 O ATOM 452 CB LYS A 28 -12.534 0.737 8.667 1.00 0.00 C ATOM 453 CG LYS A 28 -13.173 -0.626 8.909 1.00 0.00 C ATOM 454 CD LYS A 28 -14.360 -0.871 7.988 1.00 0.00 C ATOM 455 CE LYS A 28 -15.683 -0.732 8.728 1.00 0.00 C ATOM 456 NZ LYS A 28 -15.921 -1.864 9.669 1.00 0.00 N ATOM 0 H LYS A 28 -12.131 3.050 7.735 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.499 1.606 8.611 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.146 0.769 7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.682 0.851 9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.429 -1.408 8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.499 -0.694 9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.330 -0.163 7.159 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.287 -1.870 7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.691 0.207 9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.498 -0.684 8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.920 -1.871 9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.690 -2.762 9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.319 -1.749 10.509 1.00 0.00 H new ATOM 470 N GLU A 29 -12.538 3.220 10.698 1.00 0.00 N ATOM 471 CA GLU A 29 -12.422 3.722 12.066 1.00 0.00 C ATOM 472 C GLU A 29 -11.668 5.051 12.097 1.00 0.00 C ATOM 473 O GLU A 29 -11.262 5.570 11.055 1.00 0.00 O ATOM 474 CB GLU A 29 -11.700 2.698 12.948 1.00 0.00 C ATOM 475 CG GLU A 29 -12.635 1.688 13.594 1.00 0.00 C ATOM 476 CD GLU A 29 -12.196 1.292 14.991 1.00 0.00 C ATOM 477 OE1 GLU A 29 -12.121 2.182 15.866 1.00 0.00 O ATOM 478 OE2 GLU A 29 -11.928 0.092 15.210 1.00 0.00 O ATOM 0 H GLU A 29 -11.836 3.588 10.057 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.428 3.884 12.452 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.964 2.166 12.345 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.152 3.225 13.729 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.640 2.107 13.639 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.689 0.797 12.968 1.00 0.00 H new ATOM 485 N ASP A 30 -11.478 5.593 13.299 1.00 0.00 N ATOM 486 CA ASP A 30 -10.762 6.854 13.465 1.00 0.00 C ATOM 487 C ASP A 30 -9.251 6.619 13.547 1.00 0.00 C ATOM 488 O ASP A 30 -8.486 7.215 12.786 1.00 0.00 O ATOM 489 CB ASP A 30 -11.249 7.591 14.717 1.00 0.00 C ATOM 490 CG ASP A 30 -12.032 8.853 14.393 1.00 0.00 C ATOM 491 OD1 ASP A 30 -12.705 8.890 13.341 1.00 0.00 O ATOM 492 OD2 ASP A 30 -11.970 9.807 15.197 1.00 0.00 O ATOM 0 H ASP A 30 -11.810 5.178 14.170 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.968 7.473 12.592 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.876 6.921 15.306 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.391 7.851 15.336 1.00 0.00 H new ATOM 497 N PRO A 31 -8.794 5.743 14.470 1.00 0.00 N ATOM 498 CA PRO A 31 -7.371 5.436 14.642 1.00 0.00 C ATOM 499 C PRO A 31 -6.858 4.442 13.592 1.00 0.00 C ATOM 500 O PRO A 31 -6.281 3.406 13.930 1.00 0.00 O ATOM 501 CB PRO A 31 -7.297 4.822 16.055 1.00 0.00 C ATOM 502 CG PRO A 31 -8.696 4.826 16.595 1.00 0.00 C ATOM 503 CD PRO A 31 -9.614 4.983 15.419 1.00 0.00 C ATOM 0 HA PRO A 31 -6.748 6.322 14.521 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.899 3.808 16.017 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.632 5.402 16.696 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.907 3.899 17.129 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.834 5.642 17.305 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.918 4.019 15.011 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.526 5.518 15.685 1.00 0.00 H new ATOM 511 N VAL A 32 -7.075 4.764 12.317 1.00 0.00 N ATOM 512 CA VAL A 32 -6.638 3.897 11.220 1.00 0.00 C ATOM 513 C VAL A 32 -5.125 3.971 11.011 1.00 0.00 C ATOM 514 O VAL A 32 -4.529 5.047 11.080 1.00 0.00 O ATOM 515 CB VAL A 32 -7.341 4.257 9.893 1.00 0.00 C ATOM 516 CG1 VAL A 32 -7.057 3.200 8.837 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.840 4.419 10.102 1.00 0.00 C ATOM 0 H VAL A 32 -7.549 5.616 12.018 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.912 2.882 11.507 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.944 5.210 9.543 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.560 3.469 7.908 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.983 3.139 8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.425 2.233 9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.314 4.672 9.154 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.258 3.485 10.479 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.023 5.215 10.823 1.00 0.00 H new ATOM 527 N THR A 33 -4.514 2.815 10.742 1.00 0.00 N ATOM 528 CA THR A 33 -3.072 2.738 10.508 1.00 0.00 C ATOM 529 C THR A 33 -2.775 2.421 9.047 1.00 0.00 C ATOM 530 O THR A 33 -3.653 1.984 8.303 1.00 0.00 O ATOM 531 CB THR A 33 -2.429 1.682 11.413 1.00 0.00 C ATOM 532 OG1 THR A 33 -3.332 0.623 11.686 1.00 0.00 O ATOM 533 CG2 THR A 33 -1.959 2.244 12.738 1.00 0.00 C ATOM 0 H THR A 33 -4.997 1.919 10.681 1.00 0.00 H new ATOM 0 HA THR A 33 -2.644 3.711 10.748 1.00 0.00 H new ATOM 0 HB THR A 33 -1.563 1.318 10.860 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.709 0.289 10.845 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.513 1.447 13.334 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.217 3.023 12.560 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.808 2.667 13.275 1.00 0.00 H new ATOM 541 N VAL A 34 -1.528 2.652 8.645 1.00 0.00 N ATOM 542 CA VAL A 34 -1.097 2.404 7.270 1.00 0.00 C ATOM 543 C VAL A 34 -1.391 0.968 6.827 1.00 0.00 C ATOM 544 O VAL A 34 -1.826 0.738 5.694 1.00 0.00 O ATOM 545 CB VAL A 34 0.403 2.710 7.105 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.261 1.697 7.843 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.786 2.774 5.633 1.00 0.00 C ATOM 0 H VAL A 34 -0.794 3.012 9.255 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.671 3.074 6.630 1.00 0.00 H new ATOM 0 HB VAL A 34 0.590 3.688 7.549 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.314 1.943 7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.019 1.720 8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.067 0.700 7.449 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.850 2.991 5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.570 1.817 5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.212 3.560 5.142 1.00 0.00 H new ATOM 557 N GLY A 35 -1.168 0.010 7.731 1.00 0.00 N ATOM 558 CA GLY A 35 -1.431 -1.386 7.422 1.00 0.00 C ATOM 559 C GLY A 35 -2.871 -1.618 6.995 1.00 0.00 C ATOM 560 O GLY A 35 -3.154 -2.522 6.207 1.00 0.00 O ATOM 0 H GLY A 35 -0.810 0.179 8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.761 -1.713 6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.210 -1.998 8.297 1.00 0.00 H new ATOM 564 N ASP A 36 -3.780 -0.783 7.509 1.00 0.00 N ATOM 565 CA ASP A 36 -5.202 -0.882 7.172 1.00 0.00 C ATOM 566 C ASP A 36 -5.425 -0.463 5.720 1.00 0.00 C ATOM 567 O ASP A 36 -6.170 -1.111 4.984 1.00 0.00 O ATOM 568 CB ASP A 36 -6.046 -0.002 8.107 1.00 0.00 C ATOM 569 CG ASP A 36 -6.022 -0.467 9.556 1.00 0.00 C ATOM 570 OD1 ASP A 36 -4.990 -1.022 9.992 1.00 0.00 O ATOM 571 OD2 ASP A 36 -7.035 -0.268 10.257 1.00 0.00 O ATOM 0 H ASP A 36 -3.555 -0.031 8.160 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.514 -1.919 7.299 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.682 1.024 8.056 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.077 0.008 7.753 1.00 0.00 H new ATOM 576 N LEU A 37 -4.752 0.619 5.315 1.00 0.00 N ATOM 577 CA LEU A 37 -4.845 1.127 3.947 1.00 0.00 C ATOM 578 C LEU A 37 -4.575 0.003 2.951 1.00 0.00 C ATOM 579 O LEU A 37 -5.386 -0.255 2.059 1.00 0.00 O ATOM 580 CB LEU A 37 -3.842 2.272 3.740 1.00 0.00 C ATOM 581 CG LEU A 37 -4.199 3.282 2.643 1.00 0.00 C ATOM 582 CD1 LEU A 37 -4.277 2.601 1.286 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.509 3.989 2.969 1.00 0.00 C ATOM 0 H LEU A 37 -4.135 1.160 5.920 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.852 1.509 3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.734 2.810 4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.869 1.840 3.507 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.408 4.031 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.532 3.337 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.313 2.151 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.043 1.826 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.744 4.701 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.310 3.254 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.411 4.518 3.917 1.00 0.00 H new ATOM 595 N ILE A 38 -3.438 -0.679 3.120 1.00 0.00 N ATOM 596 CA ILE A 38 -3.080 -1.793 2.240 1.00 0.00 C ATOM 597 C ILE A 38 -4.153 -2.880 2.293 1.00 0.00 C ATOM 598 O ILE A 38 -4.492 -3.481 1.272 1.00 0.00 O ATOM 599 CB ILE A 38 -1.710 -2.413 2.605 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.632 -1.327 2.706 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.312 -3.463 1.574 1.00 0.00 C ATOM 602 CD1 ILE A 38 -0.103 -1.123 4.110 1.00 0.00 C ATOM 0 H ILE A 38 -2.756 -0.481 3.852 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.009 -1.387 1.231 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.800 -2.896 3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.198 -1.589 2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.042 -0.385 2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.346 -3.890 1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.064 -4.252 1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.241 -2.999 0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.655 -0.340 4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.921 -0.830 4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.338 -2.052 4.471 1.00 0.00 H new ATOM 614 N ASP A 39 -4.692 -3.120 3.492 1.00 0.00 N ATOM 615 CA ASP A 39 -5.734 -4.125 3.682 1.00 0.00 C ATOM 616 C ASP A 39 -6.973 -3.796 2.853 1.00 0.00 C ATOM 617 O ASP A 39 -7.574 -4.684 2.250 1.00 0.00 O ATOM 618 CB ASP A 39 -6.111 -4.237 5.160 1.00 0.00 C ATOM 619 CG ASP A 39 -6.552 -5.638 5.536 1.00 0.00 C ATOM 620 OD1 ASP A 39 -5.675 -6.514 5.694 1.00 0.00 O ATOM 621 OD2 ASP A 39 -7.774 -5.860 5.671 1.00 0.00 O ATOM 0 H ASP A 39 -4.421 -2.630 4.345 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.337 -5.082 3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.257 -3.950 5.773 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.914 -3.534 5.382 1.00 0.00 H new ATOM 626 N HIS A 40 -7.346 -2.517 2.819 1.00 0.00 N ATOM 627 CA HIS A 40 -8.511 -2.078 2.050 1.00 0.00 C ATOM 628 C HIS A 40 -8.327 -2.395 0.567 1.00 0.00 C ATOM 629 O HIS A 40 -9.268 -2.816 -0.107 1.00 0.00 O ATOM 630 CB HIS A 40 -8.743 -0.576 2.237 1.00 0.00 C ATOM 631 CG HIS A 40 -10.182 -0.166 2.126 1.00 0.00 C ATOM 632 ND1 HIS A 40 -11.197 -0.777 2.832 1.00 0.00 N ATOM 633 CD2 HIS A 40 -10.773 0.811 1.394 1.00 0.00 C ATOM 634 CE1 HIS A 40 -12.348 -0.196 2.540 1.00 0.00 C ATOM 635 NE2 HIS A 40 -12.118 0.770 1.669 1.00 0.00 N ATOM 0 H HIS A 40 -6.860 -1.768 3.313 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.383 -2.618 2.418 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.365 -0.279 3.215 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.162 -0.033 1.492 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.278 1.494 0.720 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.312 -0.465 2.945 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.825 1.386 1.266 1.00 0.00 H new ATOM 644 N ILE A 41 -7.104 -2.197 0.071 1.00 0.00 N ATOM 645 CA ILE A 41 -6.783 -2.470 -1.329 1.00 0.00 C ATOM 646 C ILE A 41 -6.913 -3.962 -1.638 1.00 0.00 C ATOM 647 O ILE A 41 -7.263 -4.345 -2.753 1.00 0.00 O ATOM 648 CB ILE A 41 -5.353 -2.009 -1.689 1.00 0.00 C ATOM 649 CG1 ILE A 41 -5.125 -0.558 -1.255 1.00 0.00 C ATOM 650 CG2 ILE A 41 -5.103 -2.161 -3.183 1.00 0.00 C ATOM 651 CD1 ILE A 41 -3.673 -0.129 -1.306 1.00 0.00 C ATOM 0 H ILE A 41 -6.319 -1.848 0.621 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.497 -1.906 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.646 -2.642 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.712 0.100 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.497 -0.429 -0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.091 -1.831 -3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.219 -3.207 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.820 -1.553 -3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.589 0.909 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.083 -0.762 -0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.301 -0.225 -2.326 1.00 0.00 H new ATOM 663 N VAL A 42 -6.623 -4.798 -0.643 1.00 0.00 N ATOM 664 CA VAL A 42 -6.701 -6.248 -0.801 1.00 0.00 C ATOM 665 C VAL A 42 -8.039 -6.809 -0.295 1.00 0.00 C ATOM 666 O VAL A 42 -8.277 -8.015 -0.367 1.00 0.00 O ATOM 667 CB VAL A 42 -5.547 -6.939 -0.043 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.527 -8.436 -0.324 1.00 0.00 C ATOM 669 CG2 VAL A 42 -4.209 -6.305 -0.405 1.00 0.00 C ATOM 0 H VAL A 42 -6.330 -4.494 0.286 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.621 -6.455 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.715 -6.800 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.705 -8.898 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.470 -8.879 -0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.392 -8.604 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.409 -6.807 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.037 -6.406 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.223 -5.248 -0.138 1.00 0.00 H new ATOM 679 N SER A 43 -8.905 -5.937 0.228 1.00 0.00 N ATOM 680 CA SER A 43 -10.200 -6.367 0.749 1.00 0.00 C ATOM 681 C SER A 43 -11.328 -6.103 -0.251 1.00 0.00 C ATOM 682 O SER A 43 -11.859 -7.037 -0.854 1.00 0.00 O ATOM 683 CB SER A 43 -10.501 -5.667 2.080 1.00 0.00 C ATOM 684 OG SER A 43 -10.001 -6.416 3.176 1.00 0.00 O ATOM 0 H SER A 43 -8.732 -4.934 0.301 1.00 0.00 H new ATOM 0 HA SER A 43 -10.146 -7.443 0.915 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.054 -4.673 2.081 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.577 -5.532 2.188 1.00 0.00 H new ATOM 0 HG SER A 43 -9.065 -6.174 3.338 1.00 0.00 H new ATOM 690 N THR A 44 -11.697 -4.831 -0.418 1.00 0.00 N ATOM 691 CA THR A 44 -12.775 -4.460 -1.341 1.00 0.00 C ATOM 692 C THR A 44 -12.245 -4.230 -2.758 1.00 0.00 C ATOM 693 O THR A 44 -12.881 -4.630 -3.735 1.00 0.00 O ATOM 694 CB THR A 44 -13.520 -3.215 -0.832 1.00 0.00 C ATOM 695 OG1 THR A 44 -14.614 -2.897 -1.679 1.00 0.00 O ATOM 696 CG2 THR A 44 -12.651 -1.978 -0.727 1.00 0.00 C ATOM 0 H THR A 44 -11.269 -4.044 0.070 1.00 0.00 H new ATOM 0 HA THR A 44 -13.478 -5.292 -1.381 1.00 0.00 H new ATOM 0 HB THR A 44 -13.855 -3.484 0.170 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.074 -2.103 -1.335 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.249 -1.143 -0.361 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.831 -2.167 -0.035 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.248 -1.732 -1.709 1.00 0.00 H new ATOM 704 N MET A 45 -11.084 -3.585 -2.866 1.00 0.00 N ATOM 705 CA MET A 45 -10.478 -3.307 -4.167 1.00 0.00 C ATOM 706 C MET A 45 -10.143 -4.606 -4.907 1.00 0.00 C ATOM 707 O MET A 45 -10.641 -4.844 -6.008 1.00 0.00 O ATOM 708 CB MET A 45 -9.216 -2.455 -3.997 1.00 0.00 C ATOM 709 CG MET A 45 -9.218 -1.182 -4.829 1.00 0.00 C ATOM 710 SD MET A 45 -8.312 0.166 -4.043 1.00 0.00 S ATOM 711 CE MET A 45 -6.991 0.433 -5.224 1.00 0.00 C ATOM 0 H MET A 45 -10.545 -3.246 -2.069 1.00 0.00 H new ATOM 0 HA MET A 45 -11.201 -2.752 -4.764 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.107 -2.190 -2.945 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.346 -3.053 -4.267 1.00 0.00 H new ATOM 0 HG2 MET A 45 -8.778 -1.390 -5.804 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.247 -0.869 -5.004 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.149 0.913 -4.725 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.672 -0.525 -5.635 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.348 1.074 -6.030 1.00 0.00 H new ATOM 721 N ILE A 46 -9.297 -5.439 -4.298 1.00 0.00 N ATOM 722 CA ILE A 46 -8.895 -6.705 -4.903 1.00 0.00 C ATOM 723 C ILE A 46 -9.336 -7.892 -4.049 1.00 0.00 C ATOM 724 O ILE A 46 -9.398 -7.796 -2.824 1.00 0.00 O ATOM 725 CB ILE A 46 -7.365 -6.771 -5.091 1.00 0.00 C ATOM 726 CG1 ILE A 46 -6.848 -5.507 -5.782 1.00 0.00 C ATOM 727 CG2 ILE A 46 -6.980 -8.005 -5.889 1.00 0.00 C ATOM 728 CD1 ILE A 46 -5.545 -4.995 -5.210 1.00 0.00 C ATOM 0 H ILE A 46 -8.878 -5.257 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.383 -6.759 -5.876 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.904 -6.836 -4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.713 -5.713 -6.844 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.603 -4.725 -5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.897 -8.036 -6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.310 -8.899 -5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.456 -7.968 -6.869 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.239 -4.098 -5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.679 -4.757 -4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.776 -5.761 -5.314 1.00 0.00 H new ATOM 740 N ASN A 47 -9.633 -9.014 -4.706 1.00 0.00 N ATOM 741 CA ASN A 47 -10.060 -10.224 -4.008 1.00 0.00 C ATOM 742 C ASN A 47 -9.984 -11.446 -4.931 1.00 0.00 C ATOM 743 O ASN A 47 -10.878 -12.296 -4.927 1.00 0.00 O ATOM 744 CB ASN A 47 -11.487 -10.051 -3.471 1.00 0.00 C ATOM 745 CG ASN A 47 -11.618 -10.486 -2.021 1.00 0.00 C ATOM 746 OD1 ASN A 47 -10.889 -10.011 -1.151 1.00 0.00 O ATOM 747 ND2 ASN A 47 -12.552 -11.393 -1.753 1.00 0.00 N ATOM 0 H ASN A 47 -9.585 -9.108 -5.720 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.384 -10.390 -3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.782 -9.006 -3.562 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.176 -10.631 -4.085 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.685 -11.721 -0.796 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -13.136 -11.761 -2.504 1.00 0.00 H new ATOM 754 N ASN A 48 -8.911 -11.528 -5.725 1.00 0.00 N ATOM 755 CA ASN A 48 -8.724 -12.643 -6.652 1.00 0.00 C ATOM 756 C ASN A 48 -7.322 -13.243 -6.527 1.00 0.00 C ATOM 757 O ASN A 48 -6.333 -12.515 -6.382 1.00 0.00 O ATOM 758 CB ASN A 48 -8.961 -12.181 -8.095 1.00 0.00 C ATOM 759 CG ASN A 48 -10.143 -12.878 -8.745 1.00 0.00 C ATOM 760 OD1 ASN A 48 -10.625 -13.901 -8.259 1.00 0.00 O ATOM 761 ND2 ASN A 48 -10.616 -12.325 -9.856 1.00 0.00 N ATOM 0 H ASN A 48 -8.162 -10.836 -5.742 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.451 -13.413 -6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.129 -11.104 -8.105 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.064 -12.369 -8.685 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.408 -12.749 -10.339 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.187 -11.476 -10.226 1.00 0.00 H new ATOM 768 N PRO A 49 -7.214 -14.588 -6.589 1.00 0.00 N ATOM 769 CA PRO A 49 -5.927 -15.286 -6.484 1.00 0.00 C ATOM 770 C PRO A 49 -5.082 -15.145 -7.748 1.00 0.00 C ATOM 771 O PRO A 49 -4.931 -16.092 -8.525 1.00 0.00 O ATOM 772 CB PRO A 49 -6.328 -16.743 -6.263 1.00 0.00 C ATOM 773 CG PRO A 49 -7.658 -16.871 -6.918 1.00 0.00 C ATOM 774 CD PRO A 49 -8.335 -15.533 -6.769 1.00 0.00 C ATOM 0 HA PRO A 49 -5.307 -14.878 -5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.602 -17.425 -6.705 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.385 -16.982 -5.201 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.549 -17.136 -7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.248 -17.659 -6.450 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.929 -15.285 -7.649 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.011 -15.520 -5.914 1.00 0.00 H new ATOM 782 N ASN A 50 -4.530 -13.952 -7.937 1.00 0.00 N ATOM 783 CA ASN A 50 -3.686 -13.655 -9.092 1.00 0.00 C ATOM 784 C ASN A 50 -2.987 -12.312 -8.915 1.00 0.00 C ATOM 785 O ASN A 50 -1.779 -12.198 -9.126 1.00 0.00 O ATOM 786 CB ASN A 50 -4.511 -13.639 -10.382 1.00 0.00 C ATOM 787 CG ASN A 50 -3.649 -13.866 -11.613 1.00 0.00 C ATOM 788 OD1 ASN A 50 -2.717 -13.108 -11.877 1.00 0.00 O ATOM 789 ND2 ASN A 50 -3.953 -14.914 -12.375 1.00 0.00 N ATOM 0 H ASN A 50 -4.653 -13.166 -7.299 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.935 -14.441 -9.165 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.279 -14.410 -10.330 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.025 -12.682 -10.471 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.405 -15.112 -13.212 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.734 -15.519 -12.122 1.00 0.00 H new ATOM 796 N ASP A 51 -3.759 -11.298 -8.521 1.00 0.00 N ATOM 797 CA ASP A 51 -3.223 -9.955 -8.309 1.00 0.00 C ATOM 798 C ASP A 51 -2.826 -9.739 -6.850 1.00 0.00 C ATOM 799 O ASP A 51 -1.845 -9.052 -6.565 1.00 0.00 O ATOM 800 CB ASP A 51 -4.234 -8.874 -8.738 1.00 0.00 C ATOM 801 CG ASP A 51 -5.695 -9.260 -8.536 1.00 0.00 C ATOM 802 OD1 ASP A 51 -5.985 -10.101 -7.662 1.00 0.00 O ATOM 803 OD2 ASP A 51 -6.553 -8.706 -9.253 1.00 0.00 O ATOM 0 H ASP A 51 -4.760 -11.383 -8.342 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.332 -9.866 -8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.031 -7.962 -8.177 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.075 -8.643 -9.791 1.00 0.00 H new ATOM 808 N VAL A 52 -3.593 -10.317 -5.927 1.00 0.00 N ATOM 809 CA VAL A 52 -3.309 -10.167 -4.505 1.00 0.00 C ATOM 810 C VAL A 52 -2.401 -11.284 -3.990 1.00 0.00 C ATOM 811 O VAL A 52 -1.559 -11.051 -3.125 1.00 0.00 O ATOM 812 CB VAL A 52 -4.618 -10.116 -3.687 1.00 0.00 C ATOM 813 CG1 VAL A 52 -4.439 -10.719 -2.303 1.00 0.00 C ATOM 814 CG2 VAL A 52 -5.110 -8.683 -3.583 1.00 0.00 C ATOM 0 H VAL A 52 -4.410 -10.890 -6.138 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.780 -9.223 -4.377 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.364 -10.714 -4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.381 -10.665 -1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.133 -11.761 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.674 -10.164 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.033 -8.656 -3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.354 -8.074 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.296 -8.289 -4.582 1.00 0.00 H new ATOM 824 N SER A 53 -2.570 -12.496 -4.523 1.00 0.00 N ATOM 825 CA SER A 53 -1.753 -13.637 -4.109 1.00 0.00 C ATOM 826 C SER A 53 -0.256 -13.331 -4.242 1.00 0.00 C ATOM 827 O SER A 53 0.552 -13.819 -3.452 1.00 0.00 O ATOM 828 CB SER A 53 -2.105 -14.874 -4.936 1.00 0.00 C ATOM 829 OG SER A 53 -2.329 -14.539 -6.296 1.00 0.00 O ATOM 0 H SER A 53 -3.263 -12.712 -5.240 1.00 0.00 H new ATOM 0 HA SER A 53 -1.969 -13.833 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.297 -15.602 -4.867 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.996 -15.347 -4.524 1.00 0.00 H new ATOM 0 HG SER A 53 -2.550 -15.350 -6.800 1.00 0.00 H new ATOM 835 N ILE A 54 0.108 -12.526 -5.242 1.00 0.00 N ATOM 836 CA ILE A 54 1.509 -12.167 -5.460 1.00 0.00 C ATOM 837 C ILE A 54 1.922 -10.979 -4.585 1.00 0.00 C ATOM 838 O ILE A 54 3.067 -10.900 -4.144 1.00 0.00 O ATOM 839 CB ILE A 54 1.792 -11.839 -6.943 1.00 0.00 C ATOM 840 CG1 ILE A 54 1.216 -12.933 -7.849 1.00 0.00 C ATOM 841 CG2 ILE A 54 3.290 -11.688 -7.179 1.00 0.00 C ATOM 842 CD1 ILE A 54 1.365 -12.643 -9.329 1.00 0.00 C ATOM 0 H ILE A 54 -0.544 -12.113 -5.909 1.00 0.00 H new ATOM 0 HA ILE A 54 2.102 -13.038 -5.179 1.00 0.00 H new ATOM 0 HB ILE A 54 1.307 -10.894 -7.188 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.710 -13.877 -7.622 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.159 -13.063 -7.618 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.472 -11.457 -8.229 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.677 -10.880 -6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.795 -12.619 -6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.934 -13.462 -9.905 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.846 -11.716 -9.572 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.422 -12.543 -9.575 1.00 0.00 H new ATOM 854 N PHE A 55 0.987 -10.064 -4.330 1.00 0.00 N ATOM 855 CA PHE A 55 1.267 -8.891 -3.497 1.00 0.00 C ATOM 856 C PHE A 55 1.267 -9.260 -2.010 1.00 0.00 C ATOM 857 O PHE A 55 2.045 -8.709 -1.228 1.00 0.00 O ATOM 858 CB PHE A 55 0.237 -7.788 -3.765 1.00 0.00 C ATOM 859 CG PHE A 55 0.604 -6.443 -3.188 1.00 0.00 C ATOM 860 CD1 PHE A 55 1.878 -5.920 -3.356 1.00 0.00 C ATOM 861 CD2 PHE A 55 -0.331 -5.702 -2.481 1.00 0.00 C ATOM 862 CE1 PHE A 55 2.210 -4.685 -2.832 1.00 0.00 C ATOM 863 CE2 PHE A 55 -0.004 -4.464 -1.956 1.00 0.00 C ATOM 864 CZ PHE A 55 1.268 -3.956 -2.130 1.00 0.00 C ATOM 0 H PHE A 55 0.032 -10.110 -4.686 1.00 0.00 H new ATOM 0 HA PHE A 55 2.259 -8.522 -3.758 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.105 -7.684 -4.842 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.724 -8.097 -3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.619 -6.485 -3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.326 -6.096 -2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.205 -4.289 -2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.743 -3.896 -1.411 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.527 -2.991 -1.719 1.00 0.00 H new ATOM 874 N ILE A 56 0.388 -10.189 -1.625 1.00 0.00 N ATOM 875 CA ILE A 56 0.283 -10.625 -0.234 1.00 0.00 C ATOM 876 C ILE A 56 0.486 -12.135 -0.106 1.00 0.00 C ATOM 877 O ILE A 56 -0.104 -12.915 -0.856 1.00 0.00 O ATOM 878 CB ILE A 56 -1.090 -10.252 0.369 1.00 0.00 C ATOM 879 CG1 ILE A 56 -1.355 -8.753 0.209 1.00 0.00 C ATOM 880 CG2 ILE A 56 -1.168 -10.657 1.838 1.00 0.00 C ATOM 881 CD1 ILE A 56 -0.422 -7.882 1.023 1.00 0.00 C ATOM 0 H ILE A 56 -0.261 -10.653 -2.260 1.00 0.00 H new ATOM 0 HA ILE A 56 1.070 -10.109 0.316 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.860 -10.800 -0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.261 -8.486 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.384 -8.541 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.144 -10.384 2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.028 -11.734 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.388 -10.143 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.669 -6.833 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.532 -8.120 2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.608 -8.065 0.715 1.00 0.00 H new ATOM 893 N GLU A 57 1.316 -12.535 0.860 1.00 0.00 N ATOM 894 CA GLU A 57 1.599 -13.951 1.111 1.00 0.00 C ATOM 895 C GLU A 57 0.557 -14.548 2.072 1.00 0.00 C ATOM 896 O GLU A 57 -0.560 -14.038 2.174 1.00 0.00 O ATOM 897 CB GLU A 57 3.017 -14.112 1.680 1.00 0.00 C ATOM 898 CG GLU A 57 3.834 -15.197 0.988 1.00 0.00 C ATOM 899 CD GLU A 57 5.326 -15.069 1.242 1.00 0.00 C ATOM 900 OE1 GLU A 57 5.725 -14.959 2.421 1.00 0.00 O ATOM 901 OE2 GLU A 57 6.098 -15.085 0.261 1.00 0.00 O ATOM 0 H GLU A 57 1.806 -11.895 1.484 1.00 0.00 H new ATOM 0 HA GLU A 57 1.539 -14.493 0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.544 -13.162 1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.949 -14.343 2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.495 -16.174 1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.649 -15.155 -0.085 1.00 0.00 H new ATOM 908 N ASP A 58 0.920 -15.632 2.772 1.00 0.00 N ATOM 909 CA ASP A 58 0.001 -16.281 3.711 1.00 0.00 C ATOM 910 C ASP A 58 -0.224 -15.412 4.949 1.00 0.00 C ATOM 911 O ASP A 58 0.447 -15.574 5.969 1.00 0.00 O ATOM 912 CB ASP A 58 0.519 -17.672 4.117 1.00 0.00 C ATOM 913 CG ASP A 58 1.940 -17.649 4.653 1.00 0.00 C ATOM 914 OD1 ASP A 58 2.866 -17.343 3.872 1.00 0.00 O ATOM 915 OD2 ASP A 58 2.128 -17.946 5.852 1.00 0.00 O ATOM 0 H ASP A 58 1.837 -16.074 2.705 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.956 -16.407 3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.142 -18.091 4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.474 -18.335 3.253 1.00 0.00 H new ATOM 920 N ASP A 59 -1.177 -14.481 4.843 1.00 0.00 N ATOM 921 CA ASP A 59 -1.506 -13.570 5.940 1.00 0.00 C ATOM 922 C ASP A 59 -0.298 -12.713 6.328 1.00 0.00 C ATOM 923 O ASP A 59 -0.047 -12.470 7.510 1.00 0.00 O ATOM 924 CB ASP A 59 -2.021 -14.355 7.156 1.00 0.00 C ATOM 925 CG ASP A 59 -2.980 -13.548 8.016 1.00 0.00 C ATOM 926 OD1 ASP A 59 -3.027 -12.308 7.868 1.00 0.00 O ATOM 927 OD2 ASP A 59 -3.688 -14.161 8.841 1.00 0.00 O ATOM 0 H ASP A 59 -1.737 -14.339 4.002 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.296 -12.902 5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.522 -15.260 6.813 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.173 -14.671 7.764 1.00 0.00 H new ATOM 932 N SER A 60 0.440 -12.251 5.316 1.00 0.00 N ATOM 933 CA SER A 60 1.620 -11.414 5.529 1.00 0.00 C ATOM 934 C SER A 60 2.235 -11.012 4.189 1.00 0.00 C ATOM 935 O SER A 60 2.317 -11.827 3.270 1.00 0.00 O ATOM 936 CB SER A 60 2.657 -12.152 6.386 1.00 0.00 C ATOM 937 OG SER A 60 3.787 -11.337 6.645 1.00 0.00 O ATOM 0 H SER A 60 0.238 -12.445 4.335 1.00 0.00 H new ATOM 0 HA SER A 60 1.311 -10.513 6.058 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.202 -12.456 7.329 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.972 -13.062 5.876 1.00 0.00 H new ATOM 0 HG SER A 60 4.429 -11.833 7.194 1.00 0.00 H new ATOM 943 N ILE A 61 2.665 -9.753 4.078 1.00 0.00 N ATOM 944 CA ILE A 61 3.267 -9.261 2.839 1.00 0.00 C ATOM 945 C ILE A 61 4.592 -9.969 2.560 1.00 0.00 C ATOM 946 O ILE A 61 5.353 -10.268 3.482 1.00 0.00 O ATOM 947 CB ILE A 61 3.501 -7.731 2.877 1.00 0.00 C ATOM 948 CG1 ILE A 61 2.182 -6.994 3.125 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.135 -7.253 1.577 1.00 0.00 C ATOM 950 CD1 ILE A 61 2.227 -6.060 4.316 1.00 0.00 C ATOM 0 H ILE A 61 2.608 -9.061 4.825 1.00 0.00 H new ATOM 0 HA ILE A 61 2.561 -9.480 2.038 1.00 0.00 H new ATOM 0 HB ILE A 61 4.184 -7.510 3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.921 -6.422 2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.389 -7.726 3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.291 -6.175 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.093 -7.753 1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.475 -7.488 0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.259 -5.572 4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.457 -6.630 5.217 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.997 -5.305 4.158 1.00 0.00 H new ATOM 962 N ARG A 62 4.856 -10.237 1.283 1.00 0.00 N ATOM 963 CA ARG A 62 6.089 -10.916 0.879 1.00 0.00 C ATOM 964 C ARG A 62 7.211 -9.911 0.607 1.00 0.00 C ATOM 965 O ARG A 62 6.951 -8.747 0.299 1.00 0.00 O ATOM 966 CB ARG A 62 5.851 -11.782 -0.367 1.00 0.00 C ATOM 967 CG ARG A 62 5.158 -11.050 -1.508 1.00 0.00 C ATOM 968 CD ARG A 62 5.564 -11.614 -2.862 1.00 0.00 C ATOM 969 NE ARG A 62 4.806 -12.819 -3.201 1.00 0.00 N ATOM 970 CZ ARG A 62 5.237 -14.066 -2.990 1.00 0.00 C ATOM 971 NH1 ARG A 62 6.444 -14.291 -2.478 1.00 0.00 N ATOM 972 NH2 ARG A 62 4.455 -15.095 -3.298 1.00 0.00 N ATOM 0 H ARG A 62 4.235 -9.996 0.510 1.00 0.00 H new ATOM 0 HA ARG A 62 6.394 -11.560 1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.809 -12.161 -0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.250 -12.647 -0.086 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.077 -11.129 -1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.407 -9.990 -1.465 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.408 -10.858 -3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.629 -11.845 -2.854 1.00 0.00 H new ATOM 0 HE ARG A 62 3.887 -12.699 -3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.052 -13.507 -2.242 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.761 -15.248 -2.322 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.529 -14.931 -3.694 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.780 -16.048 -3.138 1.00 0.00 H new ATOM 986 N PRO A 63 8.482 -10.354 0.718 1.00 0.00 N ATOM 987 CA PRO A 63 9.647 -9.491 0.480 1.00 0.00 C ATOM 988 C PRO A 63 9.785 -9.088 -0.987 1.00 0.00 C ATOM 989 O PRO A 63 9.448 -9.861 -1.888 1.00 0.00 O ATOM 990 CB PRO A 63 10.833 -10.361 0.906 1.00 0.00 C ATOM 991 CG PRO A 63 10.349 -11.763 0.769 1.00 0.00 C ATOM 992 CD PRO A 63 8.879 -11.729 1.082 1.00 0.00 C ATOM 0 HA PRO A 63 9.571 -8.552 1.028 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.703 -10.180 0.274 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.133 -10.145 1.931 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.524 -12.139 -0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.878 -12.427 1.453 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.328 -12.472 0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.688 -11.937 2.135 1.00 0.00 H new ATOM 1000 N GLY A 64 10.281 -7.873 -1.218 1.00 0.00 N ATOM 1001 CA GLY A 64 10.454 -7.381 -2.574 1.00 0.00 C ATOM 1002 C GLY A 64 9.788 -6.035 -2.795 1.00 0.00 C ATOM 1003 O GLY A 64 10.364 -5.150 -3.431 1.00 0.00 O ATOM 0 H GLY A 64 10.566 -7.220 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.518 -7.296 -2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.041 -8.106 -3.275 1.00 0.00 H new ATOM 1007 N ILE A 65 8.573 -5.879 -2.268 1.00 0.00 N ATOM 1008 CA ILE A 65 7.829 -4.629 -2.411 1.00 0.00 C ATOM 1009 C ILE A 65 8.424 -3.535 -1.529 1.00 0.00 C ATOM 1010 O ILE A 65 8.526 -3.689 -0.311 1.00 0.00 O ATOM 1011 CB ILE A 65 6.334 -4.801 -2.057 1.00 0.00 C ATOM 1012 CG1 ILE A 65 5.744 -6.026 -2.765 1.00 0.00 C ATOM 1013 CG2 ILE A 65 5.556 -3.544 -2.426 1.00 0.00 C ATOM 1014 CD1 ILE A 65 5.313 -7.125 -1.817 1.00 0.00 C ATOM 0 H ILE A 65 8.085 -6.602 -1.739 1.00 0.00 H new ATOM 0 HA ILE A 65 7.908 -4.340 -3.459 1.00 0.00 H new ATOM 0 HB ILE A 65 6.252 -4.959 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.886 -5.713 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.484 -6.426 -3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.505 -3.679 -2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.957 -2.693 -1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.649 -3.359 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.906 -7.959 -2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.173 -7.466 -1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.550 -6.742 -1.139 1.00 0.00 H new ATOM 1026 N ILE A 66 8.814 -2.432 -2.160 1.00 0.00 N ATOM 1027 CA ILE A 66 9.401 -1.301 -1.451 1.00 0.00 C ATOM 1028 C ILE A 66 8.332 -0.261 -1.109 1.00 0.00 C ATOM 1029 O ILE A 66 7.540 0.130 -1.968 1.00 0.00 O ATOM 1030 CB ILE A 66 10.508 -0.638 -2.298 1.00 0.00 C ATOM 1031 CG1 ILE A 66 11.634 -1.636 -2.590 1.00 0.00 C ATOM 1032 CG2 ILE A 66 11.060 0.598 -1.598 1.00 0.00 C ATOM 1033 CD1 ILE A 66 12.303 -1.416 -3.930 1.00 0.00 C ATOM 0 H ILE A 66 8.733 -2.297 -3.168 1.00 0.00 H new ATOM 0 HA ILE A 66 9.838 -1.681 -0.527 1.00 0.00 H new ATOM 0 HB ILE A 66 10.068 -0.326 -3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 66 12.384 -1.566 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.230 -2.648 -2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.839 1.048 -2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.257 1.319 -1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.480 0.313 -0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 66 13.089 -2.158 -4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.565 -1.515 -4.726 1.00 0.00 H new ATOM 0 HD13 ILE A 66 12.737 -0.417 -3.960 1.00 0.00 H new ATOM 1045 N THR A 67 8.316 0.184 0.149 1.00 0.00 N ATOM 1046 CA THR A 67 7.344 1.177 0.600 1.00 0.00 C ATOM 1047 C THR A 67 8.046 2.411 1.166 1.00 0.00 C ATOM 1048 O THR A 67 8.721 2.335 2.195 1.00 0.00 O ATOM 1049 CB THR A 67 6.409 0.582 1.660 1.00 0.00 C ATOM 1050 OG1 THR A 67 6.244 -0.813 1.472 1.00 0.00 O ATOM 1051 CG2 THR A 67 5.032 1.212 1.659 1.00 0.00 C ATOM 0 H THR A 67 8.965 -0.128 0.871 1.00 0.00 H new ATOM 0 HA THR A 67 6.752 1.476 -0.265 1.00 0.00 H new ATOM 0 HB THR A 67 6.891 0.791 2.615 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.607 -1.293 2.246 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.419 0.747 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.120 2.280 1.859 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.564 1.063 0.686 1.00 0.00 H new ATOM 1059 N LEU A 68 7.878 3.546 0.489 1.00 0.00 N ATOM 1060 CA LEU A 68 8.490 4.800 0.921 1.00 0.00 C ATOM 1061 C LEU A 68 7.426 5.799 1.371 1.00 0.00 C ATOM 1062 O LEU A 68 6.679 6.335 0.550 1.00 0.00 O ATOM 1063 CB LEU A 68 9.325 5.403 -0.212 1.00 0.00 C ATOM 1064 CG LEU A 68 10.700 4.764 -0.425 1.00 0.00 C ATOM 1065 CD1 LEU A 68 11.443 5.466 -1.551 1.00 0.00 C ATOM 1066 CD2 LEU A 68 11.515 4.803 0.860 1.00 0.00 C ATOM 0 H LEU A 68 7.322 3.622 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 68 9.142 4.584 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.759 5.324 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.464 6.466 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 68 10.555 3.721 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.418 5.000 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.868 5.384 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.576 6.518 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.489 4.344 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.652 5.838 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.989 4.255 1.641 1.00 0.00 H new ATOM 1078 N ILE A 69 7.366 6.051 2.679 1.00 0.00 N ATOM 1079 CA ILE A 69 6.398 6.994 3.237 1.00 0.00 C ATOM 1080 C ILE A 69 6.969 8.411 3.238 1.00 0.00 C ATOM 1081 O ILE A 69 7.743 8.778 4.126 1.00 0.00 O ATOM 1082 CB ILE A 69 5.985 6.608 4.676 1.00 0.00 C ATOM 1083 CG1 ILE A 69 5.596 5.127 4.747 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.835 7.486 5.156 1.00 0.00 C ATOM 1085 CD1 ILE A 69 5.207 4.666 6.137 1.00 0.00 C ATOM 0 H ILE A 69 7.976 5.615 3.371 1.00 0.00 H new ATOM 0 HA ILE A 69 5.512 6.956 2.603 1.00 0.00 H new ATOM 0 HB ILE A 69 6.840 6.770 5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.763 4.946 4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.432 4.523 4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.558 7.200 6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.146 8.531 5.146 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.978 7.356 4.495 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.945 3.608 6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.046 4.814 6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.351 5.243 6.485 1.00 0.00 H new ATOM 1097 N ASN A 70 6.589 9.198 2.228 1.00 0.00 N ATOM 1098 CA ASN A 70 7.061 10.577 2.088 1.00 0.00 C ATOM 1099 C ASN A 70 8.590 10.623 2.027 1.00 0.00 C ATOM 1100 O ASN A 70 9.235 11.317 2.816 1.00 0.00 O ATOM 1101 CB ASN A 70 6.543 11.451 3.240 1.00 0.00 C ATOM 1102 CG ASN A 70 5.043 11.682 3.167 1.00 0.00 C ATOM 1103 OD1 ASN A 70 4.261 10.914 3.725 1.00 0.00 O ATOM 1104 ND2 ASN A 70 4.633 12.741 2.476 1.00 0.00 N ATOM 0 H ASN A 70 5.951 8.900 1.490 1.00 0.00 H new ATOM 0 HA ASN A 70 6.667 10.975 1.153 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.788 10.977 4.190 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.057 12.412 3.222 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.636 12.942 2.394 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.315 13.353 2.028 1.00 0.00 H new ATOM 1111 N ASP A 71 9.161 9.871 1.080 1.00 0.00 N ATOM 1112 CA ASP A 71 10.613 9.809 0.896 1.00 0.00 C ATOM 1113 C ASP A 71 11.317 9.278 2.150 1.00 0.00 C ATOM 1114 O ASP A 71 12.454 9.654 2.443 1.00 0.00 O ATOM 1115 CB ASP A 71 11.163 11.192 0.524 1.00 0.00 C ATOM 1116 CG ASP A 71 10.693 11.663 -0.843 1.00 0.00 C ATOM 1117 OD1 ASP A 71 9.474 11.597 -1.112 1.00 0.00 O ATOM 1118 OD2 ASP A 71 11.544 12.100 -1.645 1.00 0.00 O ATOM 0 H ASP A 71 8.634 9.293 0.425 1.00 0.00 H new ATOM 0 HA ASP A 71 10.815 9.114 0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.855 11.916 1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.252 11.161 0.538 1.00 0.00 H new ATOM 1123 N THR A 72 10.637 8.396 2.883 1.00 0.00 N ATOM 1124 CA THR A 72 11.196 7.811 4.099 1.00 0.00 C ATOM 1125 C THR A 72 10.925 6.307 4.142 1.00 0.00 C ATOM 1126 O THR A 72 10.021 5.814 3.466 1.00 0.00 O ATOM 1127 CB THR A 72 10.605 8.487 5.345 1.00 0.00 C ATOM 1128 OG1 THR A 72 10.287 9.844 5.089 1.00 0.00 O ATOM 1129 CG2 THR A 72 11.529 8.454 6.541 1.00 0.00 C ATOM 0 H THR A 72 9.697 8.072 2.654 1.00 0.00 H new ATOM 0 HA THR A 72 12.274 7.974 4.091 1.00 0.00 H new ATOM 0 HB THR A 72 9.709 7.912 5.578 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.428 9.896 4.620 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.049 8.949 7.385 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.748 7.419 6.803 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.457 8.971 6.298 1.00 0.00 H new ATOM 1137 N ASP A 73 11.705 5.582 4.943 1.00 0.00 N ATOM 1138 CA ASP A 73 11.534 4.137 5.064 1.00 0.00 C ATOM 1139 C ASP A 73 10.375 3.805 6.001 1.00 0.00 C ATOM 1140 O ASP A 73 10.382 4.185 7.172 1.00 0.00 O ATOM 1141 CB ASP A 73 12.820 3.480 5.576 1.00 0.00 C ATOM 1142 CG ASP A 73 13.720 3.004 4.452 1.00 0.00 C ATOM 1143 OD1 ASP A 73 13.230 2.268 3.569 1.00 0.00 O ATOM 1144 OD2 ASP A 73 14.915 3.366 4.456 1.00 0.00 O ATOM 0 H ASP A 73 12.456 5.969 5.514 1.00 0.00 H new ATOM 0 HA ASP A 73 11.308 3.744 4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.365 4.192 6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.562 2.634 6.213 1.00 0.00 H new ATOM 1149 N TRP A 74 9.377 3.096 5.473 1.00 0.00 N ATOM 1150 CA TRP A 74 8.204 2.713 6.261 1.00 0.00 C ATOM 1151 C TRP A 74 8.597 1.911 7.506 1.00 0.00 C ATOM 1152 O TRP A 74 7.917 1.981 8.530 1.00 0.00 O ATOM 1153 CB TRP A 74 7.208 1.916 5.406 1.00 0.00 C ATOM 1154 CG TRP A 74 7.695 0.564 4.962 1.00 0.00 C ATOM 1155 CD1 TRP A 74 8.950 0.230 4.534 1.00 0.00 C ATOM 1156 CD2 TRP A 74 6.918 -0.636 4.891 1.00 0.00 C ATOM 1157 NE1 TRP A 74 8.998 -1.103 4.205 1.00 0.00 N ATOM 1158 CE2 TRP A 74 7.764 -1.657 4.416 1.00 0.00 C ATOM 1159 CE3 TRP A 74 5.588 -0.947 5.187 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 7.318 -2.965 4.227 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 5.147 -2.243 5.000 1.00 0.00 C ATOM 1162 CH2 TRP A 74 6.010 -3.238 4.523 1.00 0.00 C ATOM 0 H TRP A 74 9.357 2.776 4.505 1.00 0.00 H new ATOM 0 HA TRP A 74 7.722 3.632 6.594 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.287 1.786 5.974 1.00 0.00 H new ATOM 0 HB3 TRP A 74 6.958 2.504 4.523 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.782 0.915 4.465 1.00 0.00 H new ATOM 0 HE1 TRP A 74 9.820 -1.599 3.860 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.916 -0.187 5.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 7.981 -3.735 3.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 4.121 -2.493 5.225 1.00 0.00 H new ATOM 0 HH2 TRP A 74 5.635 -4.242 4.386 1.00 0.00 H new ATOM 1173 N GLU A 75 9.693 1.156 7.414 1.00 0.00 N ATOM 1174 CA GLU A 75 10.168 0.352 8.538 1.00 0.00 C ATOM 1175 C GLU A 75 10.919 1.214 9.554 1.00 0.00 C ATOM 1176 O GLU A 75 10.906 0.926 10.751 1.00 0.00 O ATOM 1177 CB GLU A 75 11.072 -0.781 8.043 1.00 0.00 C ATOM 1178 CG GLU A 75 10.352 -1.798 7.168 1.00 0.00 C ATOM 1179 CD GLU A 75 11.227 -2.358 6.061 1.00 0.00 C ATOM 1180 OE1 GLU A 75 11.832 -1.558 5.317 1.00 0.00 O ATOM 1181 OE2 GLU A 75 11.304 -3.598 5.939 1.00 0.00 O ATOM 0 H GLU A 75 10.267 1.085 6.574 1.00 0.00 H new ATOM 0 HA GLU A 75 9.297 -0.079 9.031 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.902 -0.353 7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.501 -1.294 8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.997 -2.618 7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.473 -1.330 6.726 1.00 0.00 H new ATOM 1188 N LEU A 76 11.569 2.275 9.072 1.00 0.00 N ATOM 1189 CA LEU A 76 12.317 3.177 9.946 1.00 0.00 C ATOM 1190 C LEU A 76 11.389 3.924 10.913 1.00 0.00 C ATOM 1191 O LEU A 76 11.849 4.458 11.925 1.00 0.00 O ATOM 1192 CB LEU A 76 13.124 4.185 9.119 1.00 0.00 C ATOM 1193 CG LEU A 76 14.607 3.842 8.936 1.00 0.00 C ATOM 1194 CD1 LEU A 76 15.220 4.689 7.829 1.00 0.00 C ATOM 1195 CD2 LEU A 76 15.368 4.036 10.242 1.00 0.00 C ATOM 0 H LEU A 76 11.592 2.529 8.084 1.00 0.00 H new ATOM 0 HA LEU A 76 13.002 2.566 10.534 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.664 4.274 8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.050 5.163 9.595 1.00 0.00 H new ATOM 0 HG LEU A 76 14.683 2.794 8.648 1.00 0.00 H new ATOM 0 HD11 LEU A 76 16.273 4.431 7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.696 4.499 6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.131 5.744 8.087 1.00 0.00 H new ATOM 0 HD21 LEU A 76 16.419 3.787 10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 76 15.283 5.075 10.562 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.947 3.385 11.008 1.00 0.00 H new ATOM 1207 N GLU A 77 10.087 3.962 10.607 1.00 0.00 N ATOM 1208 CA GLU A 77 9.122 4.648 11.467 1.00 0.00 C ATOM 1209 C GLU A 77 7.877 3.786 11.709 1.00 0.00 C ATOM 1210 O GLU A 77 6.757 4.299 11.756 1.00 0.00 O ATOM 1211 CB GLU A 77 8.721 5.995 10.854 1.00 0.00 C ATOM 1212 CG GLU A 77 9.904 6.886 10.497 1.00 0.00 C ATOM 1213 CD GLU A 77 9.547 8.362 10.472 1.00 0.00 C ATOM 1214 OE1 GLU A 77 8.466 8.705 9.949 1.00 0.00 O ATOM 1215 OE2 GLU A 77 10.354 9.175 10.971 1.00 0.00 O ATOM 0 H GLU A 77 9.682 3.529 9.777 1.00 0.00 H new ATOM 0 HA GLU A 77 9.602 4.825 12.429 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.131 5.813 9.956 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.078 6.526 11.556 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.705 6.723 11.218 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.290 6.594 9.520 1.00 0.00 H new ATOM 1222 N GLY A 78 8.082 2.477 11.874 1.00 0.00 N ATOM 1223 CA GLY A 78 6.971 1.570 12.122 1.00 0.00 C ATOM 1224 C GLY A 78 6.211 1.200 10.859 1.00 0.00 C ATOM 1225 O GLY A 78 5.423 1.999 10.351 1.00 0.00 O ATOM 0 H GLY A 78 8.998 2.030 11.840 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.349 0.661 12.591 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.284 2.032 12.831 1.00 0.00 H new ATOM 1229 N GLU A 79 6.448 -0.016 10.356 1.00 0.00 N ATOM 1230 CA GLU A 79 5.780 -0.502 9.143 1.00 0.00 C ATOM 1231 C GLU A 79 4.272 -0.252 9.202 1.00 0.00 C ATOM 1232 O GLU A 79 3.731 0.480 8.376 1.00 0.00 O ATOM 1233 CB GLU A 79 6.052 -1.996 8.938 1.00 0.00 C ATOM 1234 CG GLU A 79 7.496 -2.311 8.580 1.00 0.00 C ATOM 1235 CD GLU A 79 8.247 -2.965 9.722 1.00 0.00 C ATOM 1236 OE1 GLU A 79 8.013 -4.165 9.977 1.00 0.00 O ATOM 1237 OE2 GLU A 79 9.068 -2.276 10.364 1.00 0.00 O ATOM 0 H GLU A 79 7.099 -0.683 10.771 1.00 0.00 H new ATOM 0 HA GLU A 79 6.188 0.053 8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.787 -2.533 9.849 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.401 -2.370 8.147 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.516 -2.969 7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.005 -1.391 8.294 1.00 0.00 H new ATOM 1244 N LYS A 80 3.600 -0.858 10.185 1.00 0.00 N ATOM 1245 CA LYS A 80 2.154 -0.685 10.347 1.00 0.00 C ATOM 1246 C LYS A 80 1.837 0.278 11.494 1.00 0.00 C ATOM 1247 O LYS A 80 0.807 0.954 11.474 1.00 0.00 O ATOM 1248 CB LYS A 80 1.471 -2.034 10.596 1.00 0.00 C ATOM 1249 CG LYS A 80 -0.038 -1.922 10.780 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.729 -3.269 10.619 1.00 0.00 C ATOM 1251 CE LYS A 80 -2.173 -3.225 11.104 1.00 0.00 C ATOM 1252 NZ LYS A 80 -3.139 -3.585 10.026 1.00 0.00 N ATOM 0 H LYS A 80 4.032 -1.470 10.877 1.00 0.00 H new ATOM 0 HA LYS A 80 1.768 -0.258 9.421 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.679 -2.699 9.758 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.905 -2.495 11.484 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.255 -1.518 11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.441 -1.217 10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.706 -3.566 9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.181 -4.028 11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.294 -3.911 11.942 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.400 -2.225 11.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.941 -2.923 10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.664 -3.531 9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.487 -4.553 10.180 1.00 0.00 H new ATOM 1266 N ASP A 81 2.728 0.334 12.491 1.00 0.00 N ATOM 1267 CA ASP A 81 2.551 1.214 13.652 1.00 0.00 C ATOM 1268 C ASP A 81 2.269 2.658 13.223 1.00 0.00 C ATOM 1269 O ASP A 81 1.585 3.398 13.931 1.00 0.00 O ATOM 1270 CB ASP A 81 3.794 1.167 14.551 1.00 0.00 C ATOM 1271 CG ASP A 81 3.859 -0.092 15.399 1.00 0.00 C ATOM 1272 OD1 ASP A 81 3.614 -1.191 14.855 1.00 0.00 O ATOM 1273 OD2 ASP A 81 4.159 0.020 16.606 1.00 0.00 O ATOM 0 H ASP A 81 3.582 -0.222 12.517 1.00 0.00 H new ATOM 0 HA ASP A 81 1.689 0.854 14.213 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.688 1.228 13.931 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.798 2.040 15.204 1.00 0.00 H new ATOM 1278 N TYR A 82 2.795 3.049 12.059 1.00 0.00 N ATOM 1279 CA TYR A 82 2.590 4.398 11.535 1.00 0.00 C ATOM 1280 C TYR A 82 1.098 4.684 11.353 1.00 0.00 C ATOM 1281 O TYR A 82 0.431 4.058 10.525 1.00 0.00 O ATOM 1282 CB TYR A 82 3.330 4.566 10.204 1.00 0.00 C ATOM 1283 CG TYR A 82 3.147 5.928 9.565 1.00 0.00 C ATOM 1284 CD1 TYR A 82 2.042 6.201 8.766 1.00 0.00 C ATOM 1285 CD2 TYR A 82 4.081 6.938 9.760 1.00 0.00 C ATOM 1286 CE1 TYR A 82 1.874 7.441 8.183 1.00 0.00 C ATOM 1287 CE2 TYR A 82 3.919 8.180 9.180 1.00 0.00 C ATOM 1288 CZ TYR A 82 2.815 8.427 8.391 1.00 0.00 C ATOM 1289 OH TYR A 82 2.654 9.661 7.808 1.00 0.00 O ATOM 0 H TYR A 82 3.366 2.449 11.463 1.00 0.00 H new ATOM 0 HA TYR A 82 2.992 5.113 12.253 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.394 4.392 10.367 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.985 3.801 9.509 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.304 5.431 8.599 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.948 6.748 10.375 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.009 7.638 7.567 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.653 8.955 9.343 1.00 0.00 H new ATOM 0 HH TYR A 82 3.405 10.240 8.056 1.00 0.00 H new ATOM 1299 N ILE A 83 0.585 5.634 12.134 1.00 0.00 N ATOM 1300 CA ILE A 83 -0.825 6.011 12.068 1.00 0.00 C ATOM 1301 C ILE A 83 -1.100 6.886 10.845 1.00 0.00 C ATOM 1302 O ILE A 83 -0.258 7.694 10.450 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.268 6.765 13.346 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -0.847 5.994 14.606 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -2.775 6.987 13.340 1.00 0.00 C ATOM 1306 CD1 ILE A 83 0.405 6.536 15.265 1.00 0.00 C ATOM 0 H ILE A 83 1.127 6.157 12.821 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.400 5.088 11.987 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.774 7.736 13.356 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.665 6.019 15.326 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.685 4.949 14.344 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.068 7.518 14.246 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.052 7.578 12.467 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.284 6.024 13.303 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.639 5.940 16.147 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.237 6.486 14.562 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.241 7.572 15.560 1.00 0.00 H new ATOM 1318 N LEU A 84 -2.283 6.720 10.247 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.665 7.495 9.069 1.00 0.00 C ATOM 1320 C LEU A 84 -2.780 8.985 9.400 1.00 0.00 C ATOM 1321 O LEU A 84 -2.710 9.378 10.567 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.989 6.976 8.497 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.902 5.647 7.731 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -5.227 5.336 7.048 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.774 5.679 6.707 1.00 0.00 C ATOM 0 H LEU A 84 -2.991 6.056 10.561 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.883 7.375 8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.697 6.857 9.317 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.398 7.734 7.829 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.686 4.858 8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.146 4.391 6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.014 5.261 7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.470 6.133 6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.735 4.726 6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.954 6.482 5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.826 5.851 7.216 1.00 0.00 H new ATOM 1337 N GLU A 85 -2.955 9.810 8.366 1.00 0.00 N ATOM 1338 CA GLU A 85 -3.075 11.252 8.538 1.00 0.00 C ATOM 1339 C GLU A 85 -3.485 11.913 7.227 1.00 0.00 C ATOM 1340 O GLU A 85 -2.672 12.059 6.310 1.00 0.00 O ATOM 1341 CB GLU A 85 -1.752 11.852 9.026 1.00 0.00 C ATOM 1342 CG GLU A 85 -1.925 12.924 10.092 1.00 0.00 C ATOM 1343 CD GLU A 85 -0.599 13.454 10.606 1.00 0.00 C ATOM 1344 OE1 GLU A 85 0.217 12.644 11.095 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -0.378 14.681 10.521 1.00 0.00 O ATOM 0 H GLU A 85 -3.017 9.498 7.397 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.844 11.439 9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.126 11.054 9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.221 12.280 8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.507 13.749 9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.496 12.514 10.925 1.00 0.00 H new ATOM 1352 N ASP A 86 -4.754 12.301 7.145 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.292 12.949 5.948 1.00 0.00 C ATOM 1354 C ASP A 86 -4.350 14.045 5.448 1.00 0.00 C ATOM 1355 O ASP A 86 -4.115 15.039 6.139 1.00 0.00 O ATOM 1356 CB ASP A 86 -6.675 13.542 6.233 1.00 0.00 C ATOM 1357 CG ASP A 86 -7.379 13.995 4.969 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -7.766 13.126 4.158 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -7.540 15.221 4.787 1.00 0.00 O ATOM 0 H ASP A 86 -5.434 12.178 7.896 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.384 12.190 5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.289 12.798 6.741 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.572 14.388 6.912 1.00 0.00 H new ATOM 1364 N GLY A 87 -3.810 13.845 4.246 1.00 0.00 N ATOM 1365 CA GLY A 87 -2.889 14.810 3.663 1.00 0.00 C ATOM 1366 C GLY A 87 -1.470 14.270 3.538 1.00 0.00 C ATOM 1367 O GLY A 87 -0.517 15.045 3.423 1.00 0.00 O ATOM 0 H GLY A 87 -3.995 13.028 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.251 15.101 2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.877 15.711 4.276 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.326 12.941 3.563 1.00 0.00 N ATOM 1372 CA ASP A 88 -0.016 12.302 3.456 1.00 0.00 C ATOM 1373 C ASP A 88 0.136 11.560 2.128 1.00 0.00 C ATOM 1374 O ASP A 88 -0.833 11.393 1.384 1.00 0.00 O ATOM 1375 CB ASP A 88 0.191 11.333 4.620 1.00 0.00 C ATOM 1376 CG ASP A 88 1.024 11.939 5.732 1.00 0.00 C ATOM 1377 OD1 ASP A 88 0.440 12.593 6.620 1.00 0.00 O ATOM 1378 OD2 ASP A 88 2.258 11.765 5.710 1.00 0.00 O ATOM 0 H ASP A 88 -2.104 12.288 3.657 1.00 0.00 H new ATOM 0 HA ASP A 88 0.742 13.084 3.495 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.779 11.034 5.017 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.679 10.429 4.255 1.00 0.00 H new ATOM 1383 N ILE A 89 1.363 11.116 1.836 1.00 0.00 N ATOM 1384 CA ILE A 89 1.642 10.395 0.595 1.00 0.00 C ATOM 1385 C ILE A 89 2.351 9.065 0.859 1.00 0.00 C ATOM 1386 O ILE A 89 3.063 8.908 1.853 1.00 0.00 O ATOM 1387 CB ILE A 89 2.494 11.244 -0.373 1.00 0.00 C ATOM 1388 CG1 ILE A 89 1.900 12.648 -0.513 1.00 0.00 C ATOM 1389 CG2 ILE A 89 2.589 10.567 -1.736 1.00 0.00 C ATOM 1390 CD1 ILE A 89 2.610 13.500 -1.538 1.00 0.00 C ATOM 0 H ILE A 89 2.174 11.244 2.441 1.00 0.00 H new ATOM 0 HA ILE A 89 0.676 10.191 0.133 1.00 0.00 H new ATOM 0 HB ILE A 89 3.500 11.332 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.848 12.564 -0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.938 13.149 0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.193 11.180 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.052 9.587 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.589 10.450 -2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.138 14.481 -1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.656 13.614 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.549 13.020 -2.515 1.00 0.00 H new ATOM 1402 N ILE A 90 2.145 8.112 -0.051 1.00 0.00 N ATOM 1403 CA ILE A 90 2.751 6.780 0.056 1.00 0.00 C ATOM 1404 C ILE A 90 3.322 6.322 -1.287 1.00 0.00 C ATOM 1405 O ILE A 90 2.815 6.696 -2.345 1.00 0.00 O ATOM 1406 CB ILE A 90 1.725 5.724 0.536 1.00 0.00 C ATOM 1407 CG1 ILE A 90 0.967 6.213 1.776 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.413 4.394 0.824 1.00 0.00 C ATOM 1409 CD1 ILE A 90 1.834 6.358 3.009 1.00 0.00 C ATOM 0 H ILE A 90 1.559 8.237 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 90 3.554 6.864 0.789 1.00 0.00 H new ATOM 0 HB ILE A 90 1.002 5.574 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.507 7.176 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.158 5.516 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.674 3.667 1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.894 4.029 -0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.164 4.534 1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.225 6.708 3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.273 5.393 3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.628 7.078 2.813 1.00 0.00 H new ATOM 1421 N SER A 91 4.371 5.500 -1.237 1.00 0.00 N ATOM 1422 CA SER A 91 5.000 4.979 -2.452 1.00 0.00 C ATOM 1423 C SER A 91 5.168 3.461 -2.375 1.00 0.00 C ATOM 1424 O SER A 91 5.533 2.922 -1.329 1.00 0.00 O ATOM 1425 CB SER A 91 6.363 5.637 -2.683 1.00 0.00 C ATOM 1426 OG SER A 91 6.365 6.991 -2.261 1.00 0.00 O ATOM 0 H SER A 91 4.803 5.181 -0.370 1.00 0.00 H new ATOM 0 HA SER A 91 4.345 5.217 -3.290 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.131 5.085 -2.141 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.619 5.584 -3.741 1.00 0.00 H new ATOM 0 HG SER A 91 6.480 7.030 -1.289 1.00 0.00 H new ATOM 1432 N PHE A 92 4.901 2.780 -3.491 1.00 0.00 N ATOM 1433 CA PHE A 92 5.022 1.324 -3.560 1.00 0.00 C ATOM 1434 C PHE A 92 5.829 0.898 -4.788 1.00 0.00 C ATOM 1435 O PHE A 92 5.271 0.687 -5.868 1.00 0.00 O ATOM 1436 CB PHE A 92 3.633 0.676 -3.594 1.00 0.00 C ATOM 1437 CG PHE A 92 3.172 0.156 -2.261 1.00 0.00 C ATOM 1438 CD1 PHE A 92 3.999 -0.647 -1.490 1.00 0.00 C ATOM 1439 CD2 PHE A 92 1.911 0.468 -1.781 1.00 0.00 C ATOM 1440 CE1 PHE A 92 3.576 -1.126 -0.266 1.00 0.00 C ATOM 1441 CE2 PHE A 92 1.482 -0.009 -0.558 1.00 0.00 C ATOM 1442 CZ PHE A 92 2.316 -0.807 0.201 1.00 0.00 C ATOM 0 H PHE A 92 4.599 3.216 -4.362 1.00 0.00 H new ATOM 0 HA PHE A 92 5.551 0.987 -2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.911 1.407 -3.958 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.643 -0.146 -4.310 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.985 -0.901 -1.851 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.255 1.092 -2.370 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.230 -1.750 0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.496 0.241 -0.196 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.983 -1.181 1.158 1.00 0.00 H new ATOM 1452 N THR A 93 7.144 0.772 -4.614 1.00 0.00 N ATOM 1453 CA THR A 93 8.032 0.371 -5.703 1.00 0.00 C ATOM 1454 C THR A 93 8.286 -1.137 -5.671 1.00 0.00 C ATOM 1455 O THR A 93 9.051 -1.629 -4.840 1.00 0.00 O ATOM 1456 CB THR A 93 9.363 1.133 -5.626 1.00 0.00 C ATOM 1457 OG1 THR A 93 9.547 1.714 -4.345 1.00 0.00 O ATOM 1458 CG2 THR A 93 9.475 2.243 -6.650 1.00 0.00 C ATOM 0 H THR A 93 7.618 0.942 -3.727 1.00 0.00 H new ATOM 0 HA THR A 93 7.542 0.619 -6.644 1.00 0.00 H new ATOM 0 HB THR A 93 10.130 0.386 -5.830 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.402 2.192 -4.322 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.438 2.742 -6.542 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.394 1.823 -7.652 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.673 2.965 -6.493 1.00 0.00 H new ATOM 1466 N SER A 94 7.639 -1.863 -6.581 1.00 0.00 N ATOM 1467 CA SER A 94 7.793 -3.314 -6.661 1.00 0.00 C ATOM 1468 C SER A 94 8.560 -3.709 -7.924 1.00 0.00 C ATOM 1469 O SER A 94 7.964 -4.097 -8.932 1.00 0.00 O ATOM 1470 CB SER A 94 6.420 -3.995 -6.634 1.00 0.00 C ATOM 1471 OG SER A 94 6.471 -5.222 -5.926 1.00 0.00 O ATOM 0 H SER A 94 7.002 -1.469 -7.274 1.00 0.00 H new ATOM 0 HA SER A 94 8.367 -3.647 -5.796 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.691 -3.332 -6.167 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.080 -4.174 -7.654 1.00 0.00 H new ATOM 0 HG SER A 94 5.582 -5.635 -5.922 1.00 0.00 H new ATOM 1477 N THR A 95 9.887 -3.604 -7.860 1.00 0.00 N ATOM 1478 CA THR A 95 10.746 -3.944 -8.992 1.00 0.00 C ATOM 1479 C THR A 95 11.942 -4.781 -8.531 1.00 0.00 C ATOM 1480 O THR A 95 13.044 -4.261 -8.341 1.00 0.00 O ATOM 1481 CB THR A 95 11.228 -2.669 -9.698 1.00 0.00 C ATOM 1482 OG1 THR A 95 10.135 -1.818 -10.001 1.00 0.00 O ATOM 1483 CG2 THR A 95 11.969 -2.939 -10.993 1.00 0.00 C ATOM 0 H THR A 95 10.391 -3.285 -7.033 1.00 0.00 H new ATOM 0 HA THR A 95 10.164 -4.536 -9.698 1.00 0.00 H new ATOM 0 HB THR A 95 11.916 -2.197 -8.996 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.463 -1.011 -10.449 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.280 -1.994 -11.438 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.848 -3.551 -10.789 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.312 -3.467 -11.685 1.00 0.00 H new ATOM 1491 N LEU A 96 11.713 -6.082 -8.349 1.00 0.00 N ATOM 1492 CA LEU A 96 12.765 -6.997 -7.907 1.00 0.00 C ATOM 1493 C LEU A 96 13.772 -7.261 -9.027 1.00 0.00 C ATOM 1494 O LEU A 96 13.392 -7.487 -10.176 1.00 0.00 O ATOM 1495 CB LEU A 96 12.153 -8.317 -7.426 1.00 0.00 C ATOM 1496 CG LEU A 96 13.161 -9.383 -6.983 1.00 0.00 C ATOM 1497 CD1 LEU A 96 12.738 -10.003 -5.659 1.00 0.00 C ATOM 1498 CD2 LEU A 96 13.311 -10.455 -8.055 1.00 0.00 C ATOM 0 H LEU A 96 10.807 -6.526 -8.501 1.00 0.00 H new ATOM 0 HA LEU A 96 13.294 -6.527 -7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.483 -8.105 -6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 96 11.542 -8.729 -8.229 1.00 0.00 H new ATOM 0 HG LEU A 96 14.129 -8.903 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.466 -10.757 -5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 96 12.685 -9.228 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 96 11.759 -10.468 -5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.031 -11.203 -7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.347 -10.932 -8.230 1.00 0.00 H new ATOM 0 HD23 LEU A 96 13.663 -9.998 -8.980 1.00 0.00 H new ATOM 1510 N HIS A 97 15.059 -7.234 -8.679 1.00 0.00 N ATOM 1511 CA HIS A 97 16.125 -7.471 -9.652 1.00 0.00 C ATOM 1512 C HIS A 97 16.408 -8.967 -9.801 1.00 0.00 C ATOM 1513 O HIS A 97 16.546 -9.470 -10.918 1.00 0.00 O ATOM 1514 CB HIS A 97 17.401 -6.731 -9.236 1.00 0.00 C ATOM 1515 CG HIS A 97 18.318 -6.418 -10.380 1.00 0.00 C ATOM 1516 ND1 HIS A 97 19.692 -6.530 -10.300 1.00 0.00 N ATOM 1517 CD2 HIS A 97 18.051 -5.989 -11.636 1.00 0.00 C ATOM 1518 CE1 HIS A 97 20.228 -6.184 -11.457 1.00 0.00 C ATOM 1519 NE2 HIS A 97 19.254 -5.852 -12.284 1.00 0.00 N ATOM 0 H HIS A 97 15.388 -7.050 -7.731 1.00 0.00 H new ATOM 0 HA HIS A 97 15.793 -7.088 -10.617 1.00 0.00 H new ATOM 0 HB2 HIS A 97 17.125 -5.801 -8.739 1.00 0.00 H new ATOM 0 HB3 HIS A 97 17.939 -7.336 -8.506 1.00 0.00 H new ATOM 0 HD2 HIS A 97 17.074 -5.791 -12.051 1.00 0.00 H new ATOM 0 HE1 HIS A 97 21.283 -6.174 -11.687 1.00 0.00 H new ATOM 0 HE2 HIS A 97 19.375 -5.544 -13.249 1.00 0.00 H new ATOM 1528 N GLY A 98 16.496 -9.669 -8.671 1.00 0.00 N ATOM 1529 CA GLY A 98 16.760 -11.099 -8.699 1.00 0.00 C ATOM 1530 C GLY A 98 16.612 -11.749 -7.334 1.00 0.00 C ATOM 1531 O GLY A 98 16.215 -11.093 -6.368 1.00 0.00 O ATOM 0 H GLY A 98 16.389 -9.272 -7.737 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.076 -11.577 -9.401 1.00 0.00 H new ATOM 0 HA3 GLY A 98 17.770 -11.271 -9.071 1.00 0.00 H new ATOM 1535 N GLY A 99 16.929 -13.042 -7.258 1.00 0.00 N ATOM 1536 CA GLY A 99 16.820 -13.767 -6.001 1.00 0.00 C ATOM 1537 C GLY A 99 15.608 -14.683 -5.952 1.00 0.00 C ATOM 1538 O GLY A 99 14.654 -14.456 -6.728 1.00 0.00 O ATOM 0 H GLY A 99 17.259 -13.600 -8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.723 -14.358 -5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 99 16.764 -13.053 -5.179 1.00 0.00 H new TER 1542 GLY A 99