USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=17 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 70 ASN : amide:sc= 0.165 X(o=0.24,f=0.046) USER MOD Set 1.2: A 82 TYR OH : rot 40:sc= 0.0768 USER MOD Set 2.1: A 19 GLN : amide:sc= -0.156 X(o=-0.59,f=-0.94) USER MOD Set 2.2: A 22 HIS : no HD1:sc= -0.227 X(o=-0.59,f=-1.1) USER MOD Set 2.3: A 45 MET CE :methyl -160:sc= -0.206 (180deg=-0.61) USER MOD Set 3.1: A 26 MET CE :methyl -147:sc= -2.64 (180deg=-4.16!) USER MOD Set 3.2: A 40 HIS : no HD1:sc= -2.05 K(o=-4.7,f=-6.3!) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.118 (180deg=-0.597) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.736 (180deg=-0.0855) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) 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+ 159:sc= 0 (180deg=-0.401) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -170:sc= 0 USER MOD Single : A 43 SER OG : rot 77:sc= 0.306 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.263 K(o=0.26,f=-3!) USER MOD Single : A 48 ASN : amide:sc= -0.0435 K(o=-0.043,f=-1.8) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -80:sc= 1.15 USER MOD Single : A 60 SER OG : rot 51:sc= 0.496 USER MOD Single : A 67 THR OG1 : rot 25:sc= 1.21 USER MOD Single : A 72 THR OG1 : rot 72:sc= 0.394 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 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= -0.0535 X(o=-0.053,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.449 7.652 5.107 1.00 0.00 N ATOM 2 CA MET A 1 -13.537 9.101 4.777 1.00 0.00 C ATOM 3 C MET A 1 -12.148 9.733 4.609 1.00 0.00 C ATOM 4 O MET A 1 -11.958 10.915 4.903 1.00 0.00 O ATOM 5 CB MET A 1 -14.317 9.808 5.896 1.00 0.00 C ATOM 6 CG MET A 1 -13.667 9.695 7.267 1.00 0.00 C ATOM 7 SD MET A 1 -14.494 10.708 8.509 1.00 0.00 S ATOM 8 CE MET A 1 -14.116 12.355 7.914 1.00 0.00 C ATOM 0 H1 MET A 1 -14.058 7.444 5.924 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.762 7.090 4.290 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.465 7.408 5.338 1.00 0.00 H new ATOM 0 HA MET A 1 -14.054 9.216 3.824 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.423 10.862 5.641 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.322 9.389 5.946 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.679 8.653 7.586 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.621 9.995 7.196 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.202 13.067 8.735 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.100 12.375 7.521 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.816 12.626 7.124 1.00 0.00 H new ATOM 20 N VAL A 2 -11.181 8.943 4.130 1.00 0.00 N ATOM 21 CA VAL A 2 -9.822 9.437 3.922 1.00 0.00 C ATOM 22 C VAL A 2 -9.393 9.273 2.465 1.00 0.00 C ATOM 23 O VAL A 2 -9.730 8.280 1.819 1.00 0.00 O ATOM 24 CB VAL A 2 -8.804 8.721 4.842 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.784 7.221 4.575 1.00 0.00 C ATOM 26 CG2 VAL A 2 -7.414 9.319 4.670 1.00 0.00 C ATOM 0 H VAL A 2 -11.317 7.963 3.881 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.832 10.497 4.175 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.118 8.872 5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.060 6.744 5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.774 6.805 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.503 7.040 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.712 8.803 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -7.095 9.205 3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.439 10.378 4.928 1.00 0.00 H new ATOM 36 N ASN A 3 -8.651 10.257 1.955 1.00 0.00 N ATOM 37 CA ASN A 3 -8.177 10.227 0.574 1.00 0.00 C ATOM 38 C ASN A 3 -6.657 10.084 0.521 1.00 0.00 C ATOM 39 O ASN A 3 -5.927 11.077 0.570 1.00 0.00 O ATOM 40 CB ASN A 3 -8.610 11.497 -0.164 1.00 0.00 C ATOM 41 CG ASN A 3 -9.919 11.321 -0.911 1.00 0.00 C ATOM 42 OD1 ASN A 3 -9.965 11.427 -2.136 1.00 0.00 O ATOM 43 ND2 ASN A 3 -10.995 11.052 -0.177 1.00 0.00 N ATOM 0 H ASN A 3 -8.366 11.084 2.479 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.621 9.361 0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.712 12.312 0.552 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.830 11.787 -0.868 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.901 10.925 -0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.914 10.972 0.837 1.00 0.00 H new ATOM 50 N VAL A 4 -6.187 8.842 0.422 1.00 0.00 N ATOM 51 CA VAL A 4 -4.752 8.567 0.363 1.00 0.00 C ATOM 52 C VAL A 4 -4.256 8.479 -1.080 1.00 0.00 C ATOM 53 O VAL A 4 -4.962 7.984 -1.962 1.00 0.00 O ATOM 54 CB VAL A 4 -4.394 7.259 1.099 1.00 0.00 C ATOM 55 CG1 VAL A 4 -4.645 7.399 2.594 1.00 0.00 C ATOM 56 CG2 VAL A 4 -5.174 6.084 0.524 1.00 0.00 C ATOM 0 H VAL A 4 -6.777 8.011 0.381 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.258 9.402 0.860 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.332 7.063 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.387 6.466 3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.031 8.207 2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.697 7.624 2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.905 5.173 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.243 6.268 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.933 5.969 -0.533 1.00 0.00 H new ATOM 66 N LYS A 5 -3.033 8.960 -1.310 1.00 0.00 N ATOM 67 CA LYS A 5 -2.430 8.938 -2.640 1.00 0.00 C ATOM 68 C LYS A 5 -1.183 8.051 -2.653 1.00 0.00 C ATOM 69 O LYS A 5 -0.094 8.486 -2.270 1.00 0.00 O ATOM 70 CB LYS A 5 -2.074 10.360 -3.086 1.00 0.00 C ATOM 71 CG LYS A 5 -2.109 10.557 -4.596 1.00 0.00 C ATOM 72 CD LYS A 5 -2.650 11.930 -4.976 1.00 0.00 C ATOM 73 CE LYS A 5 -1.757 13.050 -4.463 1.00 0.00 C ATOM 74 NZ LYS A 5 -2.121 14.371 -5.052 1.00 0.00 N ATOM 0 H LYS A 5 -2.440 9.371 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.156 8.522 -3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.767 11.061 -2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.078 10.607 -2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.104 10.437 -5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.730 9.784 -5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.735 12.000 -6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.654 12.050 -4.570 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.832 13.105 -3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.718 12.822 -4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.488 15.105 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.025 14.328 -6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.104 14.602 -4.805 1.00 0.00 H new ATOM 88 N VAL A 6 -1.354 6.804 -3.094 1.00 0.00 N ATOM 89 CA VAL A 6 -0.249 5.847 -3.160 1.00 0.00 C ATOM 90 C VAL A 6 0.412 5.871 -4.536 1.00 0.00 C ATOM 91 O VAL A 6 -0.254 6.089 -5.547 1.00 0.00 O ATOM 92 CB VAL A 6 -0.722 4.405 -2.869 1.00 0.00 C ATOM 93 CG1 VAL A 6 0.466 3.476 -2.649 1.00 0.00 C ATOM 94 CG2 VAL A 6 -1.659 4.368 -1.668 1.00 0.00 C ATOM 0 H VAL A 6 -2.249 6.433 -3.411 1.00 0.00 H new ATOM 0 HA VAL A 6 0.469 6.148 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.274 4.054 -3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.106 2.467 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.090 3.466 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.052 3.830 -1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.976 3.341 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.139 4.749 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.533 4.988 -1.869 1.00 0.00 H new ATOM 104 N GLU A 7 1.721 5.639 -4.569 1.00 0.00 N ATOM 105 CA GLU A 7 2.464 5.628 -5.824 1.00 0.00 C ATOM 106 C GLU A 7 3.062 4.247 -6.088 1.00 0.00 C ATOM 107 O GLU A 7 4.125 3.911 -5.563 1.00 0.00 O ATOM 108 CB GLU A 7 3.574 6.685 -5.796 1.00 0.00 C ATOM 109 CG GLU A 7 3.250 7.939 -6.596 1.00 0.00 C ATOM 110 CD GLU A 7 3.220 9.193 -5.740 1.00 0.00 C ATOM 111 OE1 GLU A 7 4.195 9.429 -4.993 1.00 0.00 O ATOM 112 OE2 GLU A 7 2.222 9.941 -5.818 1.00 0.00 O ATOM 0 H GLU A 7 2.288 5.456 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 7 1.771 5.865 -6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.769 6.966 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.492 6.244 -6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.991 8.062 -7.386 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.283 7.814 -7.083 1.00 0.00 H new ATOM 119 N PHE A 8 2.373 3.452 -6.905 1.00 0.00 N ATOM 120 CA PHE A 8 2.839 2.107 -7.239 1.00 0.00 C ATOM 121 C PHE A 8 3.784 2.141 -8.438 1.00 0.00 C ATOM 122 O PHE A 8 3.397 2.547 -9.535 1.00 0.00 O ATOM 123 CB PHE A 8 1.651 1.184 -7.527 1.00 0.00 C ATOM 124 CG PHE A 8 0.869 0.808 -6.298 1.00 0.00 C ATOM 125 CD1 PHE A 8 1.329 -0.183 -5.444 1.00 0.00 C ATOM 126 CD2 PHE A 8 -0.326 1.443 -5.998 1.00 0.00 C ATOM 127 CE1 PHE A 8 0.612 -0.532 -4.315 1.00 0.00 C ATOM 128 CE2 PHE A 8 -1.047 1.097 -4.871 1.00 0.00 C ATOM 129 CZ PHE A 8 -0.578 0.108 -4.029 1.00 0.00 C ATOM 0 H PHE A 8 1.492 3.715 -7.347 1.00 0.00 H new ATOM 0 HA PHE A 8 3.386 1.716 -6.381 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.984 1.675 -8.236 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.015 0.276 -8.008 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.258 -0.688 -5.664 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.698 2.217 -6.653 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.982 -1.304 -3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.977 1.600 -4.649 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.141 -0.165 -3.148 1.00 0.00 H new ATOM 139 N LEU A 9 5.029 1.720 -8.212 1.00 0.00 N ATOM 140 CA LEU A 9 6.046 1.708 -9.261 1.00 0.00 C ATOM 141 C LEU A 9 6.704 0.333 -9.387 1.00 0.00 C ATOM 142 O LEU A 9 6.412 -0.581 -8.612 1.00 0.00 O ATOM 143 CB LEU A 9 7.112 2.769 -8.965 1.00 0.00 C ATOM 144 CG LEU A 9 6.729 4.201 -9.342 1.00 0.00 C ATOM 145 CD1 LEU A 9 5.597 4.704 -8.458 1.00 0.00 C ATOM 146 CD2 LEU A 9 7.934 5.120 -9.234 1.00 0.00 C ATOM 0 H LEU A 9 5.357 1.382 -7.307 1.00 0.00 H new ATOM 0 HA LEU A 9 5.555 1.935 -10.208 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.344 2.740 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.025 2.502 -9.497 1.00 0.00 H new ATOM 0 HG LEU A 9 6.384 4.202 -10.376 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.339 5.724 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.725 4.062 -8.582 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.914 4.687 -7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.643 6.135 -9.506 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.307 5.112 -8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.717 4.774 -9.909 1.00 0.00 H new ATOM 158 N GLY A 10 7.597 0.200 -10.369 1.00 0.00 N ATOM 159 CA GLY A 10 8.290 -1.056 -10.589 1.00 0.00 C ATOM 160 C GLY A 10 7.441 -2.058 -11.346 1.00 0.00 C ATOM 161 O GLY A 10 7.140 -1.858 -12.524 1.00 0.00 O ATOM 0 H GLY A 10 7.852 0.945 -11.017 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.209 -0.869 -11.145 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.580 -1.481 -9.628 1.00 0.00 H new ATOM 165 N GLY A 11 7.052 -3.134 -10.663 1.00 0.00 N ATOM 166 CA GLY A 11 6.229 -4.159 -11.284 1.00 0.00 C ATOM 167 C GLY A 11 4.844 -4.263 -10.658 1.00 0.00 C ATOM 168 O GLY A 11 4.198 -5.307 -10.751 1.00 0.00 O ATOM 0 H GLY A 11 7.293 -3.314 -9.688 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.127 -3.942 -12.347 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.733 -5.122 -11.202 1.00 0.00 H new ATOM 172 N LEU A 12 4.388 -3.180 -10.019 1.00 0.00 N ATOM 173 CA LEU A 12 3.072 -3.157 -9.377 1.00 0.00 C ATOM 174 C LEU A 12 2.041 -2.446 -10.254 1.00 0.00 C ATOM 175 O LEU A 12 0.912 -2.917 -10.400 1.00 0.00 O ATOM 176 CB LEU A 12 3.159 -2.473 -8.010 1.00 0.00 C ATOM 177 CG LEU A 12 3.403 -3.418 -6.832 1.00 0.00 C ATOM 178 CD1 LEU A 12 4.248 -2.736 -5.765 1.00 0.00 C ATOM 179 CD2 LEU A 12 2.077 -3.898 -6.253 1.00 0.00 C ATOM 0 H LEU A 12 4.912 -2.309 -9.933 1.00 0.00 H new ATOM 0 HA LEU A 12 2.748 -4.189 -9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.962 -1.737 -8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.232 -1.927 -7.833 1.00 0.00 H new ATOM 0 HG LEU A 12 3.952 -4.288 -7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.411 -3.424 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.209 -2.448 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.730 -1.848 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.267 -4.569 -5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.500 -3.041 -5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.515 -4.427 -7.022 1.00 0.00 H new ATOM 191 N ASP A 13 2.440 -1.312 -10.840 1.00 0.00 N ATOM 192 CA ASP A 13 1.553 -0.536 -11.712 1.00 0.00 C ATOM 193 C ASP A 13 1.036 -1.382 -12.877 1.00 0.00 C ATOM 194 O ASP A 13 -0.099 -1.205 -13.322 1.00 0.00 O ATOM 195 CB ASP A 13 2.276 0.704 -12.258 1.00 0.00 C ATOM 196 CG ASP A 13 3.639 0.382 -12.844 1.00 0.00 C ATOM 197 OD1 ASP A 13 3.708 0.073 -14.053 1.00 0.00 O ATOM 198 OD2 ASP A 13 4.635 0.432 -12.092 1.00 0.00 O ATOM 0 H ASP A 13 3.371 -0.912 -10.726 1.00 0.00 H new ATOM 0 HA ASP A 13 0.702 -0.219 -11.109 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.658 1.171 -13.024 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.394 1.433 -11.456 1.00 0.00 H new ATOM 203 N ALA A 14 1.871 -2.303 -13.364 1.00 0.00 N ATOM 204 CA ALA A 14 1.491 -3.175 -14.474 1.00 0.00 C ATOM 205 C ALA A 14 0.369 -4.129 -14.065 1.00 0.00 C ATOM 206 O ALA A 14 -0.489 -4.475 -14.877 1.00 0.00 O ATOM 207 CB ALA A 14 2.697 -3.961 -14.976 1.00 0.00 C ATOM 0 H ALA A 14 2.813 -2.463 -13.007 1.00 0.00 H new ATOM 0 HA ALA A 14 1.123 -2.545 -15.284 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.394 -4.604 -15.802 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.466 -3.268 -15.319 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.095 -4.573 -14.167 1.00 0.00 H new ATOM 213 N ILE A 15 0.384 -4.546 -12.799 1.00 0.00 N ATOM 214 CA ILE A 15 -0.629 -5.457 -12.274 1.00 0.00 C ATOM 215 C ILE A 15 -1.918 -4.711 -11.918 1.00 0.00 C ATOM 216 O ILE A 15 -3.017 -5.198 -12.185 1.00 0.00 O ATOM 217 CB ILE A 15 -0.121 -6.212 -11.024 1.00 0.00 C ATOM 218 CG1 ILE A 15 1.279 -6.788 -11.268 1.00 0.00 C ATOM 219 CG2 ILE A 15 -1.093 -7.319 -10.637 1.00 0.00 C ATOM 220 CD1 ILE A 15 1.952 -7.304 -10.013 1.00 0.00 C ATOM 0 H ILE A 15 1.089 -4.266 -12.118 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.838 -6.179 -13.064 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.059 -5.502 -10.199 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.207 -7.600 -11.991 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.906 -6.017 -11.716 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.719 -7.840 -9.755 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.069 -6.886 -10.416 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.188 -8.025 -11.462 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.938 -7.696 -10.264 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.057 -6.490 -9.295 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.347 -8.098 -9.576 1.00 0.00 H new ATOM 232 N PHE A 16 -1.777 -3.530 -11.310 1.00 0.00 N ATOM 233 CA PHE A 16 -2.932 -2.722 -10.913 1.00 0.00 C ATOM 234 C PHE A 16 -3.765 -2.309 -12.129 1.00 0.00 C ATOM 235 O PHE A 16 -4.859 -2.830 -12.348 1.00 0.00 O ATOM 236 CB PHE A 16 -2.471 -1.474 -10.150 1.00 0.00 C ATOM 237 CG PHE A 16 -2.428 -1.653 -8.658 1.00 0.00 C ATOM 238 CD1 PHE A 16 -1.425 -2.402 -8.061 1.00 0.00 C ATOM 239 CD2 PHE A 16 -3.390 -1.067 -7.851 1.00 0.00 C ATOM 240 CE1 PHE A 16 -1.385 -2.563 -6.689 1.00 0.00 C ATOM 241 CE2 PHE A 16 -3.354 -1.224 -6.479 1.00 0.00 C ATOM 242 CZ PHE A 16 -2.350 -1.973 -5.898 1.00 0.00 C ATOM 0 H PHE A 16 -0.875 -3.113 -11.082 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.557 -3.332 -10.261 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.478 -1.192 -10.501 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.140 -0.647 -10.388 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.667 -2.865 -8.675 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.178 -0.480 -8.300 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.599 -3.150 -6.236 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.110 -0.762 -5.862 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.320 -2.097 -4.826 1.00 0.00 H new ATOM 252 N GLY A 17 -3.239 -1.365 -12.912 1.00 0.00 N ATOM 253 CA GLY A 17 -3.943 -0.889 -14.094 1.00 0.00 C ATOM 254 C GLY A 17 -3.146 0.145 -14.871 1.00 0.00 C ATOM 255 O GLY A 17 -3.700 1.142 -15.338 1.00 0.00 O ATOM 0 H GLY A 17 -2.336 -0.921 -12.747 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.166 -1.735 -14.745 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.898 -0.457 -13.794 1.00 0.00 H new ATOM 259 N LYS A 18 -1.842 -0.099 -15.006 1.00 0.00 N ATOM 260 CA LYS A 18 -0.946 0.804 -15.726 1.00 0.00 C ATOM 261 C LYS A 18 -1.046 2.238 -15.191 1.00 0.00 C ATOM 262 O LYS A 18 -1.045 3.200 -15.963 1.00 0.00 O ATOM 263 CB LYS A 18 -1.254 0.769 -17.228 1.00 0.00 C ATOM 264 CG LYS A 18 -0.994 -0.587 -17.873 1.00 0.00 C ATOM 265 CD LYS A 18 -2.077 -0.948 -18.877 1.00 0.00 C ATOM 266 CE LYS A 18 -3.297 -1.552 -18.196 1.00 0.00 C ATOM 267 NZ LYS A 18 -4.507 -1.493 -19.063 1.00 0.00 N ATOM 0 H LYS A 18 -1.380 -0.923 -14.622 1.00 0.00 H new ATOM 0 HA LYS A 18 0.076 0.462 -15.566 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.298 1.041 -17.383 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.650 1.523 -17.732 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.025 -0.573 -18.372 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.944 -1.354 -17.100 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.373 -0.056 -19.430 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.678 -1.656 -19.604 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.089 -2.589 -17.934 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.492 -1.021 -17.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.315 -1.915 -18.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.721 -0.502 -19.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.331 -2.022 -19.941 1.00 0.00 H new ATOM 281 N GLN A 19 -1.121 2.374 -13.863 1.00 0.00 N ATOM 282 CA GLN A 19 -1.210 3.688 -13.226 1.00 0.00 C ATOM 283 C GLN A 19 -0.052 3.894 -12.252 1.00 0.00 C ATOM 284 O GLN A 19 0.127 3.115 -11.315 1.00 0.00 O ATOM 285 CB GLN A 19 -2.550 3.847 -12.495 1.00 0.00 C ATOM 286 CG GLN A 19 -3.490 4.842 -13.159 1.00 0.00 C ATOM 287 CD GLN A 19 -4.605 5.304 -12.240 1.00 0.00 C ATOM 288 OE1 GLN A 19 -5.718 4.781 -12.287 1.00 0.00 O ATOM 289 NE2 GLN A 19 -4.314 6.290 -11.398 1.00 0.00 N ATOM 0 H GLN A 19 -1.122 1.590 -13.211 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.148 4.446 -14.006 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.042 2.876 -12.440 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.360 4.167 -11.470 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.918 5.708 -13.492 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.925 4.386 -14.048 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.378 6.696 -11.392 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.026 6.641 -10.758 1.00 0.00 H new ATOM 298 N ARG A 20 0.731 4.950 -12.486 1.00 0.00 N ATOM 299 CA ARG A 20 1.881 5.272 -11.637 1.00 0.00 C ATOM 300 C ARG A 20 1.448 5.566 -10.199 1.00 0.00 C ATOM 301 O ARG A 20 2.051 5.068 -9.248 1.00 0.00 O ATOM 302 CB ARG A 20 2.637 6.478 -12.208 1.00 0.00 C ATOM 303 CG ARG A 20 4.069 6.171 -12.617 1.00 0.00 C ATOM 304 CD ARG A 20 4.908 7.439 -12.702 1.00 0.00 C ATOM 305 NE ARG A 20 5.963 7.340 -13.712 1.00 0.00 N ATOM 306 CZ ARG A 20 7.114 6.683 -13.533 1.00 0.00 C ATOM 307 NH1 ARG A 20 7.361 6.052 -12.387 1.00 0.00 N ATOM 308 NH2 ARG A 20 8.021 6.657 -14.505 1.00 0.00 N ATOM 0 H ARG A 20 0.589 5.599 -13.260 1.00 0.00 H new ATOM 0 HA ARG A 20 2.539 4.403 -11.623 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.095 6.857 -13.075 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.645 7.275 -11.464 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.515 5.485 -11.897 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.073 5.665 -13.583 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.262 8.285 -12.937 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.357 7.641 -11.729 1.00 0.00 H new ATOM 0 HE ARG A 20 5.811 7.801 -14.609 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.670 6.067 -11.637 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.241 5.553 -12.259 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.838 7.138 -15.386 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.899 6.156 -14.370 1.00 0.00 H new ATOM 322 N VAL A 21 0.401 6.380 -10.051 1.00 0.00 N ATOM 323 CA VAL A 21 -0.114 6.744 -8.733 1.00 0.00 C ATOM 324 C VAL A 21 -1.582 6.337 -8.590 1.00 0.00 C ATOM 325 O VAL A 21 -2.417 6.684 -9.428 1.00 0.00 O ATOM 326 CB VAL A 21 0.038 8.262 -8.473 1.00 0.00 C ATOM 327 CG1 VAL A 21 -0.742 9.073 -9.496 1.00 0.00 C ATOM 328 CG2 VAL A 21 -0.393 8.622 -7.056 1.00 0.00 C ATOM 0 H VAL A 21 -0.106 6.799 -10.830 1.00 0.00 H new ATOM 0 HA VAL A 21 0.475 6.205 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 21 1.094 8.512 -8.578 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.617 10.136 -9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.370 8.852 -10.496 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.799 8.813 -9.437 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.276 9.695 -6.901 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.438 8.347 -6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.226 8.082 -6.339 1.00 0.00 H new ATOM 338 N HIS A 22 -1.888 5.593 -7.527 1.00 0.00 N ATOM 339 CA HIS A 22 -3.251 5.130 -7.277 1.00 0.00 C ATOM 340 C HIS A 22 -3.792 5.670 -5.953 1.00 0.00 C ATOM 341 O HIS A 22 -3.098 5.662 -4.935 1.00 0.00 O ATOM 342 CB HIS A 22 -3.294 3.601 -7.277 1.00 0.00 C ATOM 343 CG HIS A 22 -4.434 3.034 -8.067 1.00 0.00 C ATOM 344 ND1 HIS A 22 -4.874 3.580 -9.256 1.00 0.00 N ATOM 345 CD2 HIS A 22 -5.226 1.962 -7.833 1.00 0.00 C ATOM 346 CE1 HIS A 22 -5.889 2.870 -9.715 1.00 0.00 C ATOM 347 NE2 HIS A 22 -6.121 1.882 -8.871 1.00 0.00 N ATOM 0 H HIS A 22 -1.209 5.298 -6.825 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.886 5.510 -8.078 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.357 3.219 -7.682 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.364 3.248 -6.248 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.165 1.294 -6.987 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.436 3.065 -10.626 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.848 1.174 -8.973 1.00 0.00 H new ATOM 356 N LYS A 23 -5.041 6.136 -5.980 1.00 0.00 N ATOM 357 CA LYS A 23 -5.691 6.685 -4.790 1.00 0.00 C ATOM 358 C LYS A 23 -6.673 5.682 -4.178 1.00 0.00 C ATOM 359 O LYS A 23 -7.311 4.909 -4.894 1.00 0.00 O ATOM 360 CB LYS A 23 -6.422 7.985 -5.139 1.00 0.00 C ATOM 361 CG LYS A 23 -7.478 7.824 -6.226 1.00 0.00 C ATOM 362 CD LYS A 23 -8.164 9.142 -6.542 1.00 0.00 C ATOM 363 CE LYS A 23 -8.743 9.141 -7.950 1.00 0.00 C ATOM 364 NZ LYS A 23 -10.035 9.879 -8.029 1.00 0.00 N ATOM 0 H LYS A 23 -5.625 6.144 -6.817 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.916 6.894 -4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.897 8.377 -4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.691 8.726 -5.462 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.013 7.430 -7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.222 7.094 -5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.960 9.323 -5.819 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.450 9.959 -6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.026 9.593 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.894 8.113 -8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.391 9.852 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.729 9.434 -7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.888 10.868 -7.742 1.00 0.00 H new ATOM 378 N ILE A 24 -6.790 5.708 -2.849 1.00 0.00 N ATOM 379 CA ILE A 24 -7.694 4.805 -2.134 1.00 0.00 C ATOM 380 C ILE A 24 -8.541 5.567 -1.114 1.00 0.00 C ATOM 381 O ILE A 24 -8.086 6.551 -0.527 1.00 0.00 O ATOM 382 CB ILE A 24 -6.916 3.686 -1.401 1.00 0.00 C ATOM 383 CG1 ILE A 24 -5.880 3.047 -2.331 1.00 0.00 C ATOM 384 CG2 ILE A 24 -7.870 2.627 -0.862 1.00 0.00 C ATOM 385 CD1 ILE A 24 -6.486 2.290 -3.497 1.00 0.00 C ATOM 0 H ILE A 24 -6.270 6.345 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.345 4.355 -2.884 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.392 4.137 -0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.224 3.826 -2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.258 2.365 -1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.301 1.851 -0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.566 3.087 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.426 2.184 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.690 1.867 -4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.119 1.487 -3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.085 2.971 -4.101 1.00 0.00 H new ATOM 397 N LYS A 25 -9.774 5.101 -0.906 1.00 0.00 N ATOM 398 CA LYS A 25 -10.685 5.731 0.047 1.00 0.00 C ATOM 399 C LYS A 25 -11.124 4.732 1.120 1.00 0.00 C ATOM 400 O LYS A 25 -12.036 3.932 0.899 1.00 0.00 O ATOM 401 CB LYS A 25 -11.912 6.297 -0.677 1.00 0.00 C ATOM 402 CG LYS A 25 -11.567 7.174 -1.871 1.00 0.00 C ATOM 403 CD LYS A 25 -12.718 8.099 -2.239 1.00 0.00 C ATOM 404 CE LYS A 25 -13.648 7.459 -3.261 1.00 0.00 C ATOM 405 NZ LYS A 25 -14.611 6.509 -2.630 1.00 0.00 N ATOM 0 H LYS A 25 -10.163 4.289 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.154 6.550 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.538 5.470 -1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.504 6.878 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.681 7.767 -1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.318 6.545 -2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.282 8.353 -1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.322 9.032 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.200 8.239 -3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.056 6.931 -4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.427 6.373 -3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.142 5.595 -2.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.936 6.897 -1.721 1.00 0.00 H new ATOM 419 N MET A 26 -10.465 4.783 2.281 1.00 0.00 N ATOM 420 CA MET A 26 -10.785 3.881 3.390 1.00 0.00 C ATOM 421 C MET A 26 -11.736 4.546 4.385 1.00 0.00 C ATOM 422 O MET A 26 -11.591 5.729 4.697 1.00 0.00 O ATOM 423 CB MET A 26 -9.505 3.441 4.111 1.00 0.00 C ATOM 424 CG MET A 26 -9.226 1.952 3.996 1.00 0.00 C ATOM 425 SD MET A 26 -8.565 1.241 5.517 1.00 0.00 S ATOM 426 CE MET A 26 -9.234 -0.422 5.444 1.00 0.00 C ATOM 0 H MET A 26 -9.708 5.438 2.477 1.00 0.00 H new ATOM 0 HA MET A 26 -11.280 3.004 2.972 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.659 3.994 3.702 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.581 3.708 5.165 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.148 1.434 3.730 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.519 1.782 3.184 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.439 -0.776 6.454 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.158 -0.417 4.866 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.511 -1.084 4.967 1.00 0.00 H new ATOM 436 N ASP A 27 -12.705 3.775 4.881 1.00 0.00 N ATOM 437 CA ASP A 27 -13.681 4.284 5.843 1.00 0.00 C ATOM 438 C ASP A 27 -13.941 3.259 6.950 1.00 0.00 C ATOM 439 O ASP A 27 -14.922 2.513 6.904 1.00 0.00 O ATOM 440 CB ASP A 27 -14.989 4.642 5.125 1.00 0.00 C ATOM 441 CG ASP A 27 -15.919 5.491 5.975 1.00 0.00 C ATOM 442 OD1 ASP A 27 -15.420 6.355 6.730 1.00 0.00 O ATOM 443 OD2 ASP A 27 -17.148 5.298 5.877 1.00 0.00 O ATOM 0 H ASP A 27 -12.834 2.794 4.631 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.274 5.184 6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.757 5.177 4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.503 3.724 4.839 1.00 0.00 H new ATOM 448 N LYS A 28 -13.048 3.224 7.942 1.00 0.00 N ATOM 449 CA LYS A 28 -13.169 2.288 9.061 1.00 0.00 C ATOM 450 C LYS A 28 -13.263 3.028 10.395 1.00 0.00 C ATOM 451 O LYS A 28 -14.270 2.934 11.097 1.00 0.00 O ATOM 452 CB LYS A 28 -11.976 1.322 9.074 1.00 0.00 C ATOM 453 CG LYS A 28 -12.327 -0.086 9.530 1.00 0.00 C ATOM 454 CD LYS A 28 -12.560 -0.149 11.033 1.00 0.00 C ATOM 455 CE LYS A 28 -12.692 -1.586 11.518 1.00 0.00 C ATOM 456 NZ LYS A 28 -14.054 -2.142 11.271 1.00 0.00 N ATOM 0 H LYS A 28 -12.232 3.834 7.993 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.089 1.719 8.926 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.550 1.273 8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.203 1.723 9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.222 -0.425 9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.522 -0.768 9.258 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.733 0.336 11.551 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.464 0.406 11.286 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.951 -2.207 11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.472 -1.629 12.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.097 -3.122 11.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.760 -1.566 11.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.256 -2.126 10.251 1.00 0.00 H new ATOM 470 N GLU A 29 -12.203 3.755 10.735 1.00 0.00 N ATOM 471 CA GLU A 29 -12.145 4.514 11.983 1.00 0.00 C ATOM 472 C GLU A 29 -11.302 5.778 11.811 1.00 0.00 C ATOM 473 O GLU A 29 -10.842 6.080 10.708 1.00 0.00 O ATOM 474 CB GLU A 29 -11.557 3.644 13.100 1.00 0.00 C ATOM 475 CG GLU A 29 -12.606 2.967 13.966 1.00 0.00 C ATOM 476 CD GLU A 29 -12.051 1.784 14.734 1.00 0.00 C ATOM 477 OE1 GLU A 29 -11.299 2.007 15.707 1.00 0.00 O ATOM 478 OE2 GLU A 29 -12.366 0.633 14.362 1.00 0.00 O ATOM 0 H GLU A 29 -11.365 3.836 10.159 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.159 4.809 12.252 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.919 2.881 12.655 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.921 4.263 13.733 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.015 3.693 14.669 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.431 2.633 13.337 1.00 0.00 H new ATOM 485 N ASP A 30 -11.094 6.513 12.906 1.00 0.00 N ATOM 486 CA ASP A 30 -10.295 7.736 12.863 1.00 0.00 C ATOM 487 C ASP A 30 -8.802 7.424 13.016 1.00 0.00 C ATOM 488 O ASP A 30 -8.012 7.728 12.122 1.00 0.00 O ATOM 489 CB ASP A 30 -10.748 8.721 13.948 1.00 0.00 C ATOM 490 CG ASP A 30 -11.705 9.775 13.420 1.00 0.00 C ATOM 491 OD1 ASP A 30 -11.400 10.387 12.374 1.00 0.00 O ATOM 492 OD2 ASP A 30 -12.759 9.990 14.055 1.00 0.00 O ATOM 0 H ASP A 30 -11.466 6.283 13.827 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.449 8.200 11.889 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.231 8.170 14.755 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.874 9.212 14.376 1.00 0.00 H new ATOM 497 N PRO A 31 -8.390 6.808 14.146 1.00 0.00 N ATOM 498 CA PRO A 31 -6.985 6.461 14.387 1.00 0.00 C ATOM 499 C PRO A 31 -6.574 5.171 13.671 1.00 0.00 C ATOM 500 O PRO A 31 -6.131 4.209 14.301 1.00 0.00 O ATOM 501 CB PRO A 31 -6.940 6.284 15.904 1.00 0.00 C ATOM 502 CG PRO A 31 -8.297 5.778 16.259 1.00 0.00 C ATOM 503 CD PRO A 31 -9.255 6.398 15.274 1.00 0.00 C ATOM 0 HA PRO A 31 -6.295 7.216 14.009 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.163 5.578 16.199 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.723 7.226 16.408 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.333 4.690 16.203 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.559 6.053 17.281 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.017 5.686 14.955 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.777 7.251 15.707 1.00 0.00 H new ATOM 511 N VAL A 32 -6.730 5.160 12.347 1.00 0.00 N ATOM 512 CA VAL A 32 -6.384 3.992 11.537 1.00 0.00 C ATOM 513 C VAL A 32 -4.882 3.938 11.251 1.00 0.00 C ATOM 514 O VAL A 32 -4.209 4.970 11.220 1.00 0.00 O ATOM 515 CB VAL A 32 -7.158 3.984 10.201 1.00 0.00 C ATOM 516 CG1 VAL A 32 -6.928 2.680 9.454 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.644 4.203 10.438 1.00 0.00 C ATOM 0 H VAL A 32 -7.094 5.948 11.812 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.667 3.113 12.115 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.782 4.804 9.588 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.482 2.696 8.516 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.865 2.563 9.245 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.272 1.845 10.065 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.170 4.194 9.483 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.032 3.407 11.074 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.797 5.165 10.927 1.00 0.00 H new ATOM 527 N THR A 33 -4.366 2.725 11.044 1.00 0.00 N ATOM 528 CA THR A 33 -2.944 2.526 10.761 1.00 0.00 C ATOM 529 C THR A 33 -2.706 2.250 9.277 1.00 0.00 C ATOM 530 O THR A 33 -3.635 1.927 8.535 1.00 0.00 O ATOM 531 CB THR A 33 -2.389 1.375 11.607 1.00 0.00 C ATOM 532 OG1 THR A 33 -3.073 0.166 11.329 1.00 0.00 O ATOM 533 CG2 THR A 33 -2.487 1.623 13.098 1.00 0.00 C ATOM 0 H THR A 33 -4.913 1.864 11.067 1.00 0.00 H new ATOM 0 HA THR A 33 -2.420 3.445 11.022 1.00 0.00 H new ATOM 0 HB THR A 33 -1.336 1.304 11.334 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.815 -0.514 11.985 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.076 0.769 13.637 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.923 2.520 13.356 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.532 1.759 13.376 1.00 0.00 H new ATOM 541 N VAL A 34 -1.450 2.386 8.854 1.00 0.00 N ATOM 542 CA VAL A 34 -1.069 2.162 7.459 1.00 0.00 C ATOM 543 C VAL A 34 -1.414 0.747 6.990 1.00 0.00 C ATOM 544 O VAL A 34 -1.784 0.546 5.829 1.00 0.00 O ATOM 545 CB VAL A 34 0.433 2.429 7.249 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.285 1.365 7.924 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.764 2.533 5.767 1.00 0.00 C ATOM 0 H VAL A 34 -0.675 2.652 9.461 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.645 2.866 6.858 1.00 0.00 H new ATOM 0 HB VAL A 34 0.668 3.385 7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.340 1.583 7.756 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.081 1.361 8.995 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.046 0.388 7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.831 2.722 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.501 1.600 5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.197 3.352 5.324 1.00 0.00 H new ATOM 557 N GLY A 35 -1.306 -0.224 7.899 1.00 0.00 N ATOM 558 CA GLY A 35 -1.628 -1.599 7.561 1.00 0.00 C ATOM 559 C GLY A 35 -3.063 -1.750 7.086 1.00 0.00 C ATOM 560 O GLY A 35 -3.371 -2.645 6.297 1.00 0.00 O ATOM 0 H GLY A 35 -1.001 -0.080 8.862 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.950 -1.949 6.782 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.466 -2.233 8.433 1.00 0.00 H new ATOM 564 N ASP A 36 -3.941 -0.858 7.557 1.00 0.00 N ATOM 565 CA ASP A 36 -5.350 -0.886 7.167 1.00 0.00 C ATOM 566 C ASP A 36 -5.510 -0.440 5.715 1.00 0.00 C ATOM 567 O ASP A 36 -6.273 -1.038 4.955 1.00 0.00 O ATOM 568 CB ASP A 36 -6.187 0.009 8.091 1.00 0.00 C ATOM 569 CG ASP A 36 -7.527 -0.611 8.457 1.00 0.00 C ATOM 570 OD1 ASP A 36 -7.577 -1.841 8.672 1.00 0.00 O ATOM 571 OD2 ASP A 36 -8.525 0.135 8.534 1.00 0.00 O ATOM 0 H ASP A 36 -3.699 -0.110 8.207 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.709 -1.911 7.261 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.624 0.210 9.002 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.357 0.969 7.603 1.00 0.00 H new ATOM 576 N LEU A 37 -4.771 0.605 5.335 1.00 0.00 N ATOM 577 CA LEU A 37 -4.811 1.127 3.970 1.00 0.00 C ATOM 578 C LEU A 37 -4.507 0.018 2.970 1.00 0.00 C ATOM 579 O LEU A 37 -5.267 -0.202 2.025 1.00 0.00 O ATOM 580 CB LEU A 37 -3.802 2.271 3.806 1.00 0.00 C ATOM 581 CG LEU A 37 -4.121 3.282 2.698 1.00 0.00 C ATOM 582 CD1 LEU A 37 -4.071 2.620 1.327 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.482 3.926 2.939 1.00 0.00 C ATOM 0 H LEU A 37 -4.136 1.106 5.957 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.813 1.511 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.730 2.807 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.820 1.840 3.609 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.362 4.064 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.301 3.358 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.074 2.215 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.803 1.813 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.692 4.641 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.253 3.155 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.475 4.443 3.899 1.00 0.00 H new ATOM 595 N ILE A 38 -3.396 -0.688 3.192 1.00 0.00 N ATOM 596 CA ILE A 38 -3.001 -1.787 2.312 1.00 0.00 C ATOM 597 C ILE A 38 -4.093 -2.857 2.275 1.00 0.00 C ATOM 598 O ILE A 38 -4.389 -3.415 1.216 1.00 0.00 O ATOM 599 CB ILE A 38 -1.663 -2.431 2.752 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.571 -1.364 2.899 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.229 -3.496 1.751 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.487 -1.707 3.928 1.00 0.00 C ATOM 0 H ILE A 38 -2.758 -0.519 3.970 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.862 -1.366 1.316 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.815 -2.905 3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.089 -1.215 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.036 -0.417 3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.287 -3.938 2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.992 -4.272 1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.097 -3.041 0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.223 -0.905 3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.019 -1.826 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.981 -2.637 3.646 1.00 0.00 H new ATOM 614 N ASP A 39 -4.697 -3.127 3.437 1.00 0.00 N ATOM 615 CA ASP A 39 -5.765 -4.119 3.538 1.00 0.00 C ATOM 616 C ASP A 39 -6.936 -3.751 2.632 1.00 0.00 C ATOM 617 O ASP A 39 -7.506 -4.613 1.968 1.00 0.00 O ATOM 618 CB ASP A 39 -6.250 -4.249 4.985 1.00 0.00 C ATOM 619 CG ASP A 39 -6.541 -5.688 5.370 1.00 0.00 C ATOM 620 OD1 ASP A 39 -7.465 -6.288 4.780 1.00 0.00 O ATOM 621 OD2 ASP A 39 -5.844 -6.215 6.261 1.00 0.00 O ATOM 0 H ASP A 39 -4.462 -2.671 4.319 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.360 -5.078 3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.494 -3.842 5.657 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.151 -3.651 5.119 1.00 0.00 H new ATOM 626 N HIS A 40 -7.286 -2.465 2.609 1.00 0.00 N ATOM 627 CA HIS A 40 -8.391 -1.983 1.779 1.00 0.00 C ATOM 628 C HIS A 40 -8.127 -2.250 0.298 1.00 0.00 C ATOM 629 O HIS A 40 -9.014 -2.711 -0.422 1.00 0.00 O ATOM 630 CB HIS A 40 -8.615 -0.486 2.003 1.00 0.00 C ATOM 631 CG HIS A 40 -9.986 -0.017 1.616 1.00 0.00 C ATOM 632 ND1 HIS A 40 -11.114 -0.293 2.359 1.00 0.00 N ATOM 633 CD2 HIS A 40 -10.405 0.727 0.564 1.00 0.00 C ATOM 634 CE1 HIS A 40 -12.166 0.261 1.783 1.00 0.00 C ATOM 635 NE2 HIS A 40 -11.764 0.888 0.692 1.00 0.00 N ATOM 0 H HIS A 40 -6.821 -1.739 3.154 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.288 -2.528 2.073 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.445 -0.256 3.055 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.874 0.073 1.431 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.786 1.121 -0.228 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.183 0.210 2.143 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.364 1.406 0.050 1.00 0.00 H new ATOM 644 N ILE A 41 -6.904 -1.957 -0.150 1.00 0.00 N ATOM 645 CA ILE A 41 -6.528 -2.168 -1.548 1.00 0.00 C ATOM 646 C ILE A 41 -6.601 -3.651 -1.929 1.00 0.00 C ATOM 647 O ILE A 41 -6.832 -3.986 -3.089 1.00 0.00 O ATOM 648 CB ILE A 41 -5.106 -1.640 -1.851 1.00 0.00 C ATOM 649 CG1 ILE A 41 -4.929 -0.210 -1.324 1.00 0.00 C ATOM 650 CG2 ILE A 41 -4.836 -1.685 -3.348 1.00 0.00 C ATOM 651 CD1 ILE A 41 -3.550 0.368 -1.575 1.00 0.00 C ATOM 0 H ILE A 41 -6.160 -1.574 0.434 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.246 -1.605 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.388 -2.283 -1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.673 0.434 -1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.127 -0.201 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.832 -1.311 -3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.917 -2.713 -3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.565 -1.064 -3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.502 1.381 -1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.800 -0.253 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.355 0.392 -2.647 1.00 0.00 H new ATOM 663 N VAL A 42 -6.398 -4.535 -0.952 1.00 0.00 N ATOM 664 CA VAL A 42 -6.442 -5.976 -1.199 1.00 0.00 C ATOM 665 C VAL A 42 -7.778 -6.597 -0.767 1.00 0.00 C ATOM 666 O VAL A 42 -8.049 -7.763 -1.058 1.00 0.00 O ATOM 667 CB VAL A 42 -5.278 -6.695 -0.484 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.241 -8.170 -0.861 1.00 0.00 C ATOM 669 CG2 VAL A 42 -3.954 -6.014 -0.813 1.00 0.00 C ATOM 0 H VAL A 42 -6.202 -4.279 0.016 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.341 -6.111 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.439 -6.630 0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.413 -8.657 -0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.178 -8.644 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.105 -8.267 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.142 -6.531 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.785 -6.047 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.987 -4.976 -0.483 1.00 0.00 H new ATOM 679 N SER A 43 -8.610 -5.821 -0.069 1.00 0.00 N ATOM 680 CA SER A 43 -9.904 -6.312 0.394 1.00 0.00 C ATOM 681 C SER A 43 -10.909 -6.365 -0.755 1.00 0.00 C ATOM 682 O SER A 43 -11.211 -7.440 -1.274 1.00 0.00 O ATOM 683 CB SER A 43 -10.437 -5.426 1.528 1.00 0.00 C ATOM 684 OG SER A 43 -10.000 -5.894 2.793 1.00 0.00 O ATOM 0 H SER A 43 -8.409 -4.854 0.186 1.00 0.00 H new ATOM 0 HA SER A 43 -9.767 -7.324 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.100 -4.400 1.381 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.527 -5.411 1.500 1.00 0.00 H new ATOM 0 HG SER A 43 -9.065 -5.636 2.932 1.00 0.00 H new ATOM 690 N THR A 44 -11.418 -5.200 -1.150 1.00 0.00 N ATOM 691 CA THR A 44 -12.388 -5.116 -2.241 1.00 0.00 C ATOM 692 C THR A 44 -11.718 -4.684 -3.549 1.00 0.00 C ATOM 693 O THR A 44 -12.094 -5.150 -4.625 1.00 0.00 O ATOM 694 CB THR A 44 -13.514 -4.145 -1.877 1.00 0.00 C ATOM 695 OG1 THR A 44 -14.068 -4.474 -0.614 1.00 0.00 O ATOM 696 CG2 THR A 44 -14.647 -4.131 -2.883 1.00 0.00 C ATOM 0 H THR A 44 -11.176 -4.302 -0.732 1.00 0.00 H new ATOM 0 HA THR A 44 -12.810 -6.110 -2.391 1.00 0.00 H new ATOM 0 HB THR A 44 -13.050 -3.159 -1.864 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.785 -3.842 -0.397 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.410 -3.421 -2.562 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.263 -3.835 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.084 -5.127 -2.952 1.00 0.00 H new ATOM 704 N MET A 45 -10.730 -3.791 -3.449 1.00 0.00 N ATOM 705 CA MET A 45 -10.014 -3.296 -4.625 1.00 0.00 C ATOM 706 C MET A 45 -9.396 -4.443 -5.427 1.00 0.00 C ATOM 707 O MET A 45 -9.623 -4.556 -6.632 1.00 0.00 O ATOM 708 CB MET A 45 -8.926 -2.301 -4.208 1.00 0.00 C ATOM 709 CG MET A 45 -9.190 -0.877 -4.671 1.00 0.00 C ATOM 710 SD MET A 45 -8.919 -0.658 -6.441 1.00 0.00 S ATOM 711 CE MET A 45 -7.144 -0.872 -6.545 1.00 0.00 C ATOM 0 H MET A 45 -10.408 -3.397 -2.565 1.00 0.00 H new ATOM 0 HA MET A 45 -10.737 -2.788 -5.264 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.835 -2.310 -3.122 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.969 -2.633 -4.610 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.217 -0.605 -4.429 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.542 -0.195 -4.121 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.778 -0.428 -7.471 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.668 -0.383 -5.695 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.904 -1.935 -6.532 1.00 0.00 H new ATOM 721 N ILE A 46 -8.612 -5.287 -4.754 1.00 0.00 N ATOM 722 CA ILE A 46 -7.963 -6.420 -5.409 1.00 0.00 C ATOM 723 C ILE A 46 -8.312 -7.731 -4.711 1.00 0.00 C ATOM 724 O ILE A 46 -7.597 -8.181 -3.814 1.00 0.00 O ATOM 725 CB ILE A 46 -6.427 -6.253 -5.439 1.00 0.00 C ATOM 726 CG1 ILE A 46 -6.044 -4.868 -5.965 1.00 0.00 C ATOM 727 CG2 ILE A 46 -5.788 -7.340 -6.291 1.00 0.00 C ATOM 728 CD1 ILE A 46 -4.728 -4.360 -5.420 1.00 0.00 C ATOM 0 H ILE A 46 -8.412 -5.206 -3.757 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.334 -6.448 -6.434 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.054 -6.348 -4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.988 -4.904 -7.053 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.832 -4.160 -5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.706 -7.206 -6.300 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.029 -8.318 -5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.170 -7.276 -7.310 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.519 -3.374 -5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.786 -4.292 -4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.929 -5.047 -5.698 1.00 0.00 H new ATOM 740 N ASN A 47 -9.416 -8.343 -5.131 1.00 0.00 N ATOM 741 CA ASN A 47 -9.862 -9.607 -4.551 1.00 0.00 C ATOM 742 C ASN A 47 -9.560 -10.773 -5.495 1.00 0.00 C ATOM 743 O ASN A 47 -10.438 -11.582 -5.803 1.00 0.00 O ATOM 744 CB ASN A 47 -11.364 -9.549 -4.230 1.00 0.00 C ATOM 745 CG ASN A 47 -12.216 -9.204 -5.441 1.00 0.00 C ATOM 746 OD1 ASN A 47 -12.050 -8.147 -6.049 1.00 0.00 O ATOM 747 ND2 ASN A 47 -13.136 -10.096 -5.798 1.00 0.00 N ATOM 0 H ASN A 47 -10.019 -7.984 -5.871 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.315 -9.770 -3.622 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.682 -10.512 -3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.535 -8.808 -3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.736 -9.916 -6.603 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -13.241 -10.960 -5.267 1.00 0.00 H new ATOM 754 N ASN A 48 -8.309 -10.855 -5.951 1.00 0.00 N ATOM 755 CA ASN A 48 -7.892 -11.917 -6.857 1.00 0.00 C ATOM 756 C ASN A 48 -6.475 -12.376 -6.530 1.00 0.00 C ATOM 757 O ASN A 48 -5.527 -11.599 -6.639 1.00 0.00 O ATOM 758 CB ASN A 48 -7.963 -11.439 -8.310 1.00 0.00 C ATOM 759 CG ASN A 48 -8.401 -12.538 -9.259 1.00 0.00 C ATOM 760 OD1 ASN A 48 -7.659 -13.488 -9.506 1.00 0.00 O ATOM 761 ND2 ASN A 48 -9.613 -12.418 -9.794 1.00 0.00 N ATOM 0 H ASN A 48 -7.570 -10.197 -5.705 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.571 -12.760 -6.729 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.658 -10.603 -8.381 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.985 -11.067 -8.616 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.960 -13.130 -10.436 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.196 -11.614 -9.562 1.00 0.00 H new ATOM 768 N PRO A 49 -6.312 -13.649 -6.119 1.00 0.00 N ATOM 769 CA PRO A 49 -5.000 -14.211 -5.774 1.00 0.00 C ATOM 770 C PRO A 49 -3.950 -13.970 -6.859 1.00 0.00 C ATOM 771 O PRO A 49 -2.763 -13.837 -6.563 1.00 0.00 O ATOM 772 CB PRO A 49 -5.282 -15.705 -5.629 1.00 0.00 C ATOM 773 CG PRO A 49 -6.717 -15.778 -5.239 1.00 0.00 C ATOM 774 CD PRO A 49 -7.394 -14.642 -5.955 1.00 0.00 C ATOM 0 HA PRO A 49 -4.587 -13.749 -4.877 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.097 -16.236 -6.563 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.642 -16.158 -4.872 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.152 -16.736 -5.526 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.834 -15.685 -4.159 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.799 -14.957 -6.916 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.225 -14.239 -5.375 1.00 0.00 H new ATOM 782 N ASN A 50 -4.397 -13.913 -8.114 1.00 0.00 N ATOM 783 CA ASN A 50 -3.495 -13.684 -9.242 1.00 0.00 C ATOM 784 C ASN A 50 -2.691 -12.393 -9.059 1.00 0.00 C ATOM 785 O ASN A 50 -1.472 -12.388 -9.227 1.00 0.00 O ATOM 786 CB ASN A 50 -4.284 -13.622 -10.555 1.00 0.00 C ATOM 787 CG ASN A 50 -4.312 -14.954 -11.280 1.00 0.00 C ATOM 788 OD1 ASN A 50 -5.326 -15.651 -11.281 1.00 0.00 O ATOM 789 ND2 ASN A 50 -3.195 -15.316 -11.901 1.00 0.00 N ATOM 0 H ASN A 50 -5.377 -14.022 -8.374 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.797 -14.520 -9.282 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.306 -13.304 -10.346 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.842 -12.867 -11.205 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.155 -16.202 -12.404 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.377 -14.708 -11.875 1.00 0.00 H new ATOM 796 N ASP A 51 -3.384 -11.302 -8.724 1.00 0.00 N ATOM 797 CA ASP A 51 -2.741 -10.003 -8.528 1.00 0.00 C ATOM 798 C ASP A 51 -2.724 -9.590 -7.051 1.00 0.00 C ATOM 799 O ASP A 51 -2.769 -8.399 -6.733 1.00 0.00 O ATOM 800 CB ASP A 51 -3.450 -8.928 -9.362 1.00 0.00 C ATOM 801 CG ASP A 51 -4.941 -9.169 -9.526 1.00 0.00 C ATOM 802 OD1 ASP A 51 -5.638 -9.312 -8.501 1.00 0.00 O ATOM 803 OD2 ASP A 51 -5.411 -9.215 -10.680 1.00 0.00 O ATOM 0 H ASP A 51 -4.394 -11.294 -8.583 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.707 -10.098 -8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.297 -7.956 -8.892 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.988 -8.882 -10.348 1.00 0.00 H new ATOM 808 N VAL A 52 -2.645 -10.571 -6.148 1.00 0.00 N ATOM 809 CA VAL A 52 -2.609 -10.286 -4.713 1.00 0.00 C ATOM 810 C VAL A 52 -1.829 -11.358 -3.948 1.00 0.00 C ATOM 811 O VAL A 52 -0.956 -11.033 -3.143 1.00 0.00 O ATOM 812 CB VAL A 52 -4.037 -10.123 -4.127 1.00 0.00 C ATOM 813 CG1 VAL A 52 -4.227 -10.916 -2.838 1.00 0.00 C ATOM 814 CG2 VAL A 52 -4.329 -8.649 -3.891 1.00 0.00 C ATOM 0 H VAL A 52 -2.605 -11.563 -6.384 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.087 -9.337 -4.589 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.742 -10.525 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.241 -10.770 -2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.062 -11.975 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.514 -10.570 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.332 -8.538 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.602 -8.242 -3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.263 -8.109 -4.836 1.00 0.00 H new ATOM 824 N SER A 53 -2.143 -12.630 -4.201 1.00 0.00 N ATOM 825 CA SER A 53 -1.457 -13.737 -3.530 1.00 0.00 C ATOM 826 C SER A 53 0.060 -13.674 -3.752 1.00 0.00 C ATOM 827 O SER A 53 0.833 -14.145 -2.918 1.00 0.00 O ATOM 828 CB SER A 53 -2.010 -15.084 -4.008 1.00 0.00 C ATOM 829 OG SER A 53 -1.309 -15.563 -5.144 1.00 0.00 O ATOM 0 H SER A 53 -2.864 -12.919 -4.862 1.00 0.00 H new ATOM 0 HA SER A 53 -1.644 -13.641 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.939 -15.814 -3.202 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.068 -14.978 -4.250 1.00 0.00 H new ATOM 0 HG SER A 53 -1.636 -15.106 -5.947 1.00 0.00 H new ATOM 835 N ILE A 54 0.481 -13.083 -4.872 1.00 0.00 N ATOM 836 CA ILE A 54 1.904 -12.954 -5.176 1.00 0.00 C ATOM 837 C ILE A 54 2.493 -11.720 -4.487 1.00 0.00 C ATOM 838 O ILE A 54 3.651 -11.728 -4.066 1.00 0.00 O ATOM 839 CB ILE A 54 2.162 -12.866 -6.699 1.00 0.00 C ATOM 840 CG1 ILE A 54 1.404 -13.978 -7.435 1.00 0.00 C ATOM 841 CG2 ILE A 54 3.655 -12.955 -6.995 1.00 0.00 C ATOM 842 CD1 ILE A 54 1.410 -13.827 -8.941 1.00 0.00 C ATOM 0 H ILE A 54 -0.140 -12.689 -5.578 1.00 0.00 H new ATOM 0 HA ILE A 54 2.394 -13.851 -4.798 1.00 0.00 H new ATOM 0 HB ILE A 54 1.797 -11.903 -7.055 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.845 -14.940 -7.174 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.372 -13.995 -7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.817 -12.891 -8.071 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.174 -12.133 -6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.043 -13.904 -6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.855 -14.650 -9.391 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.942 -12.881 -9.214 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.438 -13.841 -9.304 1.00 0.00 H new ATOM 854 N PHE A 55 1.682 -10.664 -4.366 1.00 0.00 N ATOM 855 CA PHE A 55 2.116 -9.426 -3.720 1.00 0.00 C ATOM 856 C PHE A 55 2.185 -9.593 -2.199 1.00 0.00 C ATOM 857 O PHE A 55 3.145 -9.155 -1.563 1.00 0.00 O ATOM 858 CB PHE A 55 1.162 -8.283 -4.080 1.00 0.00 C ATOM 859 CG PHE A 55 1.556 -6.950 -3.502 1.00 0.00 C ATOM 860 CD1 PHE A 55 2.765 -6.363 -3.837 1.00 0.00 C ATOM 861 CD2 PHE A 55 0.712 -6.285 -2.626 1.00 0.00 C ATOM 862 CE1 PHE A 55 3.126 -5.138 -3.309 1.00 0.00 C ATOM 863 CE2 PHE A 55 1.068 -5.060 -2.095 1.00 0.00 C ATOM 864 CZ PHE A 55 2.277 -4.486 -2.437 1.00 0.00 C ATOM 0 H PHE A 55 0.721 -10.644 -4.708 1.00 0.00 H new ATOM 0 HA PHE A 55 3.116 -9.187 -4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.110 -8.196 -5.165 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.161 -8.536 -3.732 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.433 -6.868 -4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.234 -6.729 -2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.072 -4.691 -3.578 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.402 -4.552 -1.413 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.558 -3.529 -2.023 1.00 0.00 H new ATOM 874 N ILE A 56 1.160 -10.226 -1.622 1.00 0.00 N ATOM 875 CA ILE A 56 1.107 -10.448 -0.177 1.00 0.00 C ATOM 876 C ILE A 56 1.253 -11.932 0.165 1.00 0.00 C ATOM 877 O ILE A 56 0.833 -12.802 -0.600 1.00 0.00 O ATOM 878 CB ILE A 56 -0.209 -9.918 0.438 1.00 0.00 C ATOM 879 CG1 ILE A 56 -0.444 -8.462 0.027 1.00 0.00 C ATOM 880 CG2 ILE A 56 -0.178 -10.045 1.958 1.00 0.00 C ATOM 881 CD1 ILE A 56 -1.724 -7.876 0.580 1.00 0.00 C ATOM 0 H ILE A 56 0.357 -10.593 -2.134 1.00 0.00 H new ATOM 0 HA ILE A 56 1.944 -9.895 0.249 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.034 -10.521 0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.398 -7.858 0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.466 -8.399 -1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.112 -9.667 2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.056 -11.093 2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.656 -9.466 2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.824 -6.843 0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.574 -8.456 0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.697 -7.906 1.669 1.00 0.00 H new ATOM 893 N GLU A 57 1.847 -12.202 1.327 1.00 0.00 N ATOM 894 CA GLU A 57 2.060 -13.568 1.805 1.00 0.00 C ATOM 895 C GLU A 57 1.106 -13.897 2.963 1.00 0.00 C ATOM 896 O GLU A 57 0.060 -13.261 3.111 1.00 0.00 O ATOM 897 CB GLU A 57 3.517 -13.741 2.249 1.00 0.00 C ATOM 898 CG GLU A 57 4.129 -15.072 1.835 1.00 0.00 C ATOM 899 CD GLU A 57 4.889 -15.749 2.961 1.00 0.00 C ATOM 900 OE1 GLU A 57 5.751 -15.088 3.580 1.00 0.00 O ATOM 901 OE2 GLU A 57 4.623 -16.942 3.223 1.00 0.00 O ATOM 0 H GLU A 57 2.193 -11.483 1.962 1.00 0.00 H new ATOM 0 HA GLU A 57 1.851 -14.259 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.114 -12.931 1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.570 -13.648 3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.339 -15.737 1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.804 -14.910 0.994 1.00 0.00 H new ATOM 908 N ASP A 58 1.468 -14.899 3.776 1.00 0.00 N ATOM 909 CA ASP A 58 0.642 -15.314 4.912 1.00 0.00 C ATOM 910 C ASP A 58 0.514 -14.189 5.940 1.00 0.00 C ATOM 911 O ASP A 58 1.351 -14.049 6.834 1.00 0.00 O ATOM 912 CB ASP A 58 1.227 -16.573 5.570 1.00 0.00 C ATOM 913 CG ASP A 58 0.184 -17.653 5.794 1.00 0.00 C ATOM 914 OD1 ASP A 58 -0.460 -18.074 4.809 1.00 0.00 O ATOM 915 OD2 ASP A 58 0.012 -18.081 6.955 1.00 0.00 O ATOM 0 H ASP A 58 2.328 -15.436 3.666 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.355 -15.545 4.536 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.025 -16.969 4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.677 -16.303 6.526 1.00 0.00 H new ATOM 920 N ASP A 59 -0.546 -13.390 5.797 1.00 0.00 N ATOM 921 CA ASP A 59 -0.814 -12.265 6.697 1.00 0.00 C ATOM 922 C ASP A 59 0.394 -11.324 6.812 1.00 0.00 C ATOM 923 O ASP A 59 0.669 -10.781 7.884 1.00 0.00 O ATOM 924 CB ASP A 59 -1.227 -12.779 8.083 1.00 0.00 C ATOM 925 CG ASP A 59 -2.313 -11.931 8.724 1.00 0.00 C ATOM 926 OD1 ASP A 59 -3.250 -11.517 8.006 1.00 0.00 O ATOM 927 OD2 ASP A 59 -2.228 -11.684 9.945 1.00 0.00 O ATOM 0 H ASP A 59 -1.240 -13.503 5.058 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.636 -11.690 6.270 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.579 -13.807 7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.353 -12.796 8.735 1.00 0.00 H new ATOM 932 N SER A 60 1.105 -11.129 5.698 1.00 0.00 N ATOM 933 CA SER A 60 2.276 -10.250 5.665 1.00 0.00 C ATOM 934 C SER A 60 2.759 -10.053 4.228 1.00 0.00 C ATOM 935 O SER A 60 2.746 -10.992 3.433 1.00 0.00 O ATOM 936 CB SER A 60 3.407 -10.827 6.525 1.00 0.00 C ATOM 937 OG SER A 60 3.462 -10.192 7.792 1.00 0.00 O ATOM 0 H SER A 60 0.889 -11.570 4.804 1.00 0.00 H new ATOM 0 HA SER A 60 1.986 -9.282 6.073 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.256 -11.898 6.658 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.360 -10.701 6.010 1.00 0.00 H new ATOM 0 HG SER A 60 2.570 -10.193 8.198 1.00 0.00 H new ATOM 943 N ILE A 61 3.182 -8.830 3.896 1.00 0.00 N ATOM 944 CA ILE A 61 3.663 -8.523 2.545 1.00 0.00 C ATOM 945 C ILE A 61 4.841 -9.418 2.157 1.00 0.00 C ATOM 946 O ILE A 61 5.612 -9.850 3.015 1.00 0.00 O ATOM 947 CB ILE A 61 4.091 -7.040 2.408 1.00 0.00 C ATOM 948 CG1 ILE A 61 2.957 -6.108 2.843 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.496 -6.730 0.973 1.00 0.00 C ATOM 950 CD1 ILE A 61 3.324 -5.198 3.996 1.00 0.00 C ATOM 0 H ILE A 61 3.201 -8.039 4.540 1.00 0.00 H new ATOM 0 HA ILE A 61 2.827 -8.712 1.871 1.00 0.00 H new ATOM 0 HB ILE A 61 4.949 -6.875 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.654 -5.497 1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.093 -6.709 3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.793 -5.684 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.332 -7.367 0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.652 -6.917 0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.471 -4.568 4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.598 -5.800 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.167 -4.570 3.709 1.00 0.00 H new ATOM 962 N ARG A 62 4.976 -9.690 0.856 1.00 0.00 N ATOM 963 CA ARG A 62 6.064 -10.531 0.355 1.00 0.00 C ATOM 964 C ARG A 62 7.420 -9.885 0.636 1.00 0.00 C ATOM 965 O ARG A 62 7.688 -8.773 0.176 1.00 0.00 O ATOM 966 CB ARG A 62 5.912 -10.779 -1.150 1.00 0.00 C ATOM 967 CG ARG A 62 6.044 -12.243 -1.540 1.00 0.00 C ATOM 968 CD ARG A 62 6.699 -12.408 -2.904 1.00 0.00 C ATOM 969 NE ARG A 62 8.147 -12.600 -2.804 1.00 0.00 N ATOM 970 CZ ARG A 62 8.998 -12.426 -3.821 1.00 0.00 C ATOM 971 NH1 ARG A 62 8.553 -12.058 -5.020 1.00 0.00 N ATOM 972 NH2 ARG A 62 10.299 -12.622 -3.640 1.00 0.00 N ATOM 0 H ARG A 62 4.347 -9.341 0.133 1.00 0.00 H new ATOM 0 HA ARG A 62 6.013 -11.487 0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.939 -10.411 -1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.666 -10.200 -1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.633 -12.768 -0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.057 -12.706 -1.552 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.256 -13.262 -3.417 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.492 -11.528 -3.513 1.00 0.00 H new ATOM 0 HE ARG A 62 8.531 -12.884 -1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.555 -11.906 -5.169 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.209 -11.928 -5.790 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.650 -12.905 -2.725 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.948 -12.489 -4.416 1.00 0.00 H new ATOM 986 N PRO A 63 8.294 -10.574 1.400 1.00 0.00 N ATOM 987 CA PRO A 63 9.627 -10.059 1.741 1.00 0.00 C ATOM 988 C PRO A 63 10.430 -9.673 0.501 1.00 0.00 C ATOM 989 O PRO A 63 10.972 -10.536 -0.196 1.00 0.00 O ATOM 990 CB PRO A 63 10.290 -11.232 2.473 1.00 0.00 C ATOM 991 CG PRO A 63 9.156 -12.037 3.004 1.00 0.00 C ATOM 992 CD PRO A 63 8.052 -11.906 1.993 1.00 0.00 C ATOM 0 HA PRO A 63 9.573 -9.149 2.339 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.911 -11.820 1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.937 -10.882 3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.444 -13.080 3.135 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.838 -11.669 3.980 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.097 -12.695 1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.069 -11.966 2.460 1.00 0.00 H new ATOM 1000 N GLY A 64 10.493 -8.371 0.227 1.00 0.00 N ATOM 1001 CA GLY A 64 11.221 -7.885 -0.931 1.00 0.00 C ATOM 1002 C GLY A 64 10.690 -6.556 -1.442 1.00 0.00 C ATOM 1003 O GLY A 64 11.468 -5.664 -1.785 1.00 0.00 O ATOM 0 H GLY A 64 10.051 -7.644 0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.274 -7.776 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.163 -8.626 -1.729 1.00 0.00 H new ATOM 1007 N ILE A 65 9.362 -6.424 -1.494 1.00 0.00 N ATOM 1008 CA ILE A 65 8.726 -5.194 -1.967 1.00 0.00 C ATOM 1009 C ILE A 65 9.147 -3.999 -1.114 1.00 0.00 C ATOM 1010 O ILE A 65 9.277 -4.109 0.107 1.00 0.00 O ATOM 1011 CB ILE A 65 7.183 -5.304 -1.958 1.00 0.00 C ATOM 1012 CG1 ILE A 65 6.725 -6.559 -2.711 1.00 0.00 C ATOM 1013 CG2 ILE A 65 6.554 -4.058 -2.571 1.00 0.00 C ATOM 1014 CD1 ILE A 65 5.601 -7.301 -2.023 1.00 0.00 C ATOM 0 H ILE A 65 8.707 -7.154 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 65 9.058 -5.044 -2.994 1.00 0.00 H new ATOM 0 HB ILE A 65 6.853 -5.385 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.402 -6.274 -3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.574 -7.232 -2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.468 -4.154 -2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.849 -3.181 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.894 -3.948 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.329 -8.177 -2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.927 -7.617 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.736 -6.645 -1.928 1.00 0.00 H new ATOM 1026 N ILE A 66 9.364 -2.863 -1.771 1.00 0.00 N ATOM 1027 CA ILE A 66 9.779 -1.642 -1.088 1.00 0.00 C ATOM 1028 C ILE A 66 8.643 -0.617 -1.052 1.00 0.00 C ATOM 1029 O ILE A 66 7.936 -0.425 -2.043 1.00 0.00 O ATOM 1030 CB ILE A 66 11.017 -1.029 -1.776 1.00 0.00 C ATOM 1031 CG1 ILE A 66 12.191 -2.014 -1.736 1.00 0.00 C ATOM 1032 CG2 ILE A 66 11.406 0.290 -1.121 1.00 0.00 C ATOM 1033 CD1 ILE A 66 13.331 -1.641 -2.661 1.00 0.00 C ATOM 0 H ILE A 66 9.259 -2.763 -2.781 1.00 0.00 H new ATOM 0 HA ILE A 66 10.037 -1.907 -0.063 1.00 0.00 H new ATOM 0 HB ILE A 66 10.764 -0.828 -2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 66 12.568 -2.075 -0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.829 -3.007 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.281 0.702 -1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.577 0.994 -1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.638 0.120 -0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 66 14.125 -2.384 -2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.970 -1.609 -3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 66 13.720 -0.662 -2.382 1.00 0.00 H new ATOM 1045 N THR A 67 8.474 0.038 0.097 1.00 0.00 N ATOM 1046 CA THR A 67 7.425 1.039 0.267 1.00 0.00 C ATOM 1047 C THR A 67 7.952 2.260 1.024 1.00 0.00 C ATOM 1048 O THR A 67 8.503 2.135 2.119 1.00 0.00 O ATOM 1049 CB THR A 67 6.222 0.428 1.003 1.00 0.00 C ATOM 1050 OG1 THR A 67 5.161 1.363 1.119 1.00 0.00 O ATOM 1051 CG2 THR A 67 6.549 -0.069 2.396 1.00 0.00 C ATOM 0 H THR A 67 9.052 -0.108 0.924 1.00 0.00 H new ATOM 0 HA THR A 67 7.102 1.368 -0.721 1.00 0.00 H new ATOM 0 HB THR A 67 5.928 -0.425 0.391 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.231 2.028 0.402 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.652 -0.486 2.853 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.318 -0.839 2.336 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.913 0.761 3.002 1.00 0.00 H new ATOM 1059 N LEU A 68 7.778 3.440 0.430 1.00 0.00 N ATOM 1060 CA LEU A 68 8.234 4.683 1.043 1.00 0.00 C ATOM 1061 C LEU A 68 7.056 5.519 1.532 1.00 0.00 C ATOM 1062 O LEU A 68 6.285 6.054 0.733 1.00 0.00 O ATOM 1063 CB LEU A 68 9.068 5.493 0.048 1.00 0.00 C ATOM 1064 CG LEU A 68 10.446 4.915 -0.281 1.00 0.00 C ATOM 1065 CD1 LEU A 68 11.210 5.867 -1.188 1.00 0.00 C ATOM 1066 CD2 LEU A 68 11.232 4.638 0.996 1.00 0.00 C ATOM 0 H LEU A 68 7.324 3.559 -0.476 1.00 0.00 H new ATOM 0 HA LEU A 68 8.853 4.424 1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.503 5.589 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.201 6.499 0.446 1.00 0.00 H new ATOM 0 HG LEU A 68 10.311 3.969 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.189 5.446 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.654 6.013 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.336 6.826 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.209 4.227 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.363 5.567 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.687 3.922 1.611 1.00 0.00 H new ATOM 1078 N ILE A 69 6.930 5.632 2.851 1.00 0.00 N ATOM 1079 CA ILE A 69 5.853 6.409 3.459 1.00 0.00 C ATOM 1080 C ILE A 69 6.337 7.817 3.811 1.00 0.00 C ATOM 1081 O ILE A 69 7.175 7.990 4.698 1.00 0.00 O ATOM 1082 CB ILE A 69 5.294 5.719 4.728 1.00 0.00 C ATOM 1083 CG1 ILE A 69 6.432 5.218 5.631 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.376 4.566 4.340 1.00 0.00 C ATOM 1085 CD1 ILE A 69 5.977 4.807 7.015 1.00 0.00 C ATOM 0 H ILE A 69 7.562 5.194 3.521 1.00 0.00 H new ATOM 0 HA ILE A 69 5.050 6.475 2.725 1.00 0.00 H new ATOM 0 HB ILE A 69 4.718 6.454 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.917 4.368 5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.182 6.003 5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.990 4.089 5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.545 4.947 3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.936 3.836 3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.835 4.465 7.594 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.519 5.660 7.516 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.249 4.000 6.934 1.00 0.00 H new ATOM 1097 N ASN A 70 5.811 8.817 3.098 1.00 0.00 N ATOM 1098 CA ASN A 70 6.189 10.216 3.317 1.00 0.00 C ATOM 1099 C ASN A 70 7.693 10.414 3.112 1.00 0.00 C ATOM 1100 O ASN A 70 8.369 11.035 3.936 1.00 0.00 O ATOM 1101 CB ASN A 70 5.774 10.673 4.723 1.00 0.00 C ATOM 1102 CG ASN A 70 4.370 11.249 4.758 1.00 0.00 C ATOM 1103 OD1 ASN A 70 4.179 12.423 5.072 1.00 0.00 O ATOM 1104 ND2 ASN A 70 3.378 10.426 4.436 1.00 0.00 N ATOM 0 H ASN A 70 5.119 8.682 2.361 1.00 0.00 H new ATOM 0 HA ASN A 70 5.662 10.827 2.584 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.833 9.827 5.408 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.480 11.423 5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.415 10.761 4.443 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.580 9.459 4.181 1.00 0.00 H new ATOM 1111 N ASP A 71 8.211 9.873 2.005 1.00 0.00 N ATOM 1112 CA ASP A 71 9.635 9.975 1.678 1.00 0.00 C ATOM 1113 C ASP A 71 10.498 9.379 2.795 1.00 0.00 C ATOM 1114 O ASP A 71 11.600 9.859 3.070 1.00 0.00 O ATOM 1115 CB ASP A 71 10.021 11.438 1.426 1.00 0.00 C ATOM 1116 CG ASP A 71 10.111 11.765 -0.053 1.00 0.00 C ATOM 1117 OD1 ASP A 71 11.194 11.562 -0.641 1.00 0.00 O ATOM 1118 OD2 ASP A 71 9.097 12.221 -0.622 1.00 0.00 O ATOM 0 H ASP A 71 7.661 9.358 1.318 1.00 0.00 H new ATOM 0 HA ASP A 71 9.817 9.403 0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.286 12.091 1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.980 11.645 1.900 1.00 0.00 H new ATOM 1123 N THR A 72 9.986 8.329 3.438 1.00 0.00 N ATOM 1124 CA THR A 72 10.700 7.668 4.525 1.00 0.00 C ATOM 1125 C THR A 72 10.514 6.152 4.446 1.00 0.00 C ATOM 1126 O THR A 72 9.596 5.667 3.782 1.00 0.00 O ATOM 1127 CB THR A 72 10.204 8.203 5.874 1.00 0.00 C ATOM 1128 OG1 THR A 72 10.165 9.621 5.869 1.00 0.00 O ATOM 1129 CG2 THR A 72 11.062 7.775 7.045 1.00 0.00 C ATOM 0 H THR A 72 9.077 7.919 3.222 1.00 0.00 H new ATOM 0 HA THR A 72 11.764 7.884 4.431 1.00 0.00 H new ATOM 0 HB THR A 72 9.208 7.778 6.000 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.426 9.926 5.302 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.653 8.189 7.966 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.073 6.687 7.110 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.079 8.140 6.903 1.00 0.00 H new ATOM 1137 N ASP A 73 11.391 5.407 5.123 1.00 0.00 N ATOM 1138 CA ASP A 73 11.321 3.946 5.118 1.00 0.00 C ATOM 1139 C ASP A 73 10.258 3.436 6.090 1.00 0.00 C ATOM 1140 O ASP A 73 9.968 4.074 7.103 1.00 0.00 O ATOM 1141 CB ASP A 73 12.680 3.335 5.477 1.00 0.00 C ATOM 1142 CG ASP A 73 13.482 2.942 4.252 1.00 0.00 C ATOM 1143 OD1 ASP A 73 12.954 2.177 3.415 1.00 0.00 O ATOM 1144 OD2 ASP A 73 14.639 3.396 4.129 1.00 0.00 O ATOM 0 H ASP A 73 12.155 5.791 5.679 1.00 0.00 H new ATOM 0 HA ASP A 73 11.045 3.638 4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.252 4.051 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.526 2.456 6.103 1.00 0.00 H new ATOM 1149 N TRP A 74 9.685 2.275 5.767 1.00 0.00 N ATOM 1150 CA TRP A 74 8.650 1.659 6.600 1.00 0.00 C ATOM 1151 C TRP A 74 9.187 1.307 7.991 1.00 0.00 C ATOM 1152 O TRP A 74 8.509 1.525 8.996 1.00 0.00 O ATOM 1153 CB TRP A 74 8.089 0.402 5.919 1.00 0.00 C ATOM 1154 CG TRP A 74 9.076 -0.728 5.820 1.00 0.00 C ATOM 1155 CD1 TRP A 74 9.244 -1.749 6.712 1.00 0.00 C ATOM 1156 CD2 TRP A 74 10.032 -0.947 4.775 1.00 0.00 C ATOM 1157 NE1 TRP A 74 10.248 -2.585 6.289 1.00 0.00 N ATOM 1158 CE2 TRP A 74 10.745 -2.116 5.100 1.00 0.00 C ATOM 1159 CE3 TRP A 74 10.354 -0.269 3.595 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 11.760 -2.620 4.288 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 11.360 -0.770 2.791 1.00 0.00 C ATOM 1162 CH2 TRP A 74 12.052 -1.936 3.141 1.00 0.00 C ATOM 0 H TRP A 74 9.921 1.741 4.931 1.00 0.00 H new ATOM 0 HA TRP A 74 7.848 2.387 6.721 1.00 0.00 H new ATOM 0 HB2 TRP A 74 7.214 0.060 6.473 1.00 0.00 H new ATOM 0 HB3 TRP A 74 7.750 0.664 4.917 1.00 0.00 H new ATOM 0 HD1 TRP A 74 8.671 -1.880 7.618 1.00 0.00 H new ATOM 0 HE1 TRP A 74 10.571 -3.419 6.779 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.825 0.631 3.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 12.296 -3.518 4.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.617 -0.254 1.878 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.833 -2.303 2.491 1.00 0.00 H new ATOM 1173 N GLU A 75 10.406 0.762 8.041 1.00 0.00 N ATOM 1174 CA GLU A 75 11.028 0.382 9.310 1.00 0.00 C ATOM 1175 C GLU A 75 11.726 1.572 9.981 1.00 0.00 C ATOM 1176 O GLU A 75 12.154 1.474 11.133 1.00 0.00 O ATOM 1177 CB GLU A 75 12.025 -0.766 9.101 1.00 0.00 C ATOM 1178 CG GLU A 75 13.146 -0.451 8.118 1.00 0.00 C ATOM 1179 CD GLU A 75 14.451 -0.108 8.810 1.00 0.00 C ATOM 1180 OE1 GLU A 75 15.180 -1.044 9.199 1.00 0.00 O ATOM 1181 OE2 GLU A 75 14.743 1.097 8.964 1.00 0.00 O ATOM 0 H GLU A 75 10.980 0.575 7.219 1.00 0.00 H new ATOM 0 HA GLU A 75 10.231 0.045 9.973 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.464 -1.030 10.063 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.483 -1.643 8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.301 -1.308 7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.845 0.384 7.485 1.00 0.00 H new ATOM 1188 N LEU A 76 11.835 2.694 9.259 1.00 0.00 N ATOM 1189 CA LEU A 76 12.476 3.897 9.790 1.00 0.00 C ATOM 1190 C LEU A 76 11.711 4.450 10.997 1.00 0.00 C ATOM 1191 O LEU A 76 12.318 4.963 11.938 1.00 0.00 O ATOM 1192 CB LEU A 76 12.579 4.973 8.698 1.00 0.00 C ATOM 1193 CG LEU A 76 13.982 5.546 8.457 1.00 0.00 C ATOM 1194 CD1 LEU A 76 14.486 6.278 9.692 1.00 0.00 C ATOM 1195 CD2 LEU A 76 14.953 4.446 8.049 1.00 0.00 C ATOM 0 H LEU A 76 11.486 2.791 8.305 1.00 0.00 H new ATOM 0 HA LEU A 76 13.478 3.622 10.119 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.214 4.550 7.762 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.911 5.794 8.959 1.00 0.00 H new ATOM 0 HG LEU A 76 13.918 6.263 7.639 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.482 6.676 9.498 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.808 7.098 9.931 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.529 5.586 10.533 1.00 0.00 H new ATOM 0 HD21 LEU A 76 15.941 4.876 7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 76 15.010 3.699 8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.604 3.975 7.130 1.00 0.00 H new ATOM 1207 N GLU A 77 10.378 4.345 10.966 1.00 0.00 N ATOM 1208 CA GLU A 77 9.542 4.839 12.062 1.00 0.00 C ATOM 1209 C GLU A 77 8.646 3.730 12.630 1.00 0.00 C ATOM 1210 O GLU A 77 7.553 4.001 13.135 1.00 0.00 O ATOM 1211 CB GLU A 77 8.684 6.012 11.578 1.00 0.00 C ATOM 1212 CG GLU A 77 9.339 7.373 11.770 1.00 0.00 C ATOM 1213 CD GLU A 77 8.806 8.420 10.810 1.00 0.00 C ATOM 1214 OE1 GLU A 77 7.641 8.840 10.975 1.00 0.00 O ATOM 1215 OE2 GLU A 77 9.554 8.821 9.894 1.00 0.00 O ATOM 0 H GLU A 77 9.858 3.924 10.196 1.00 0.00 H new ATOM 0 HA GLU A 77 10.201 5.178 12.861 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.459 5.873 10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.733 5.998 12.111 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.176 7.709 12.794 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.416 7.276 11.634 1.00 0.00 H new ATOM 1222 N GLY A 78 9.115 2.483 12.548 1.00 0.00 N ATOM 1223 CA GLY A 78 8.349 1.360 13.058 1.00 0.00 C ATOM 1224 C GLY A 78 8.053 0.329 11.989 1.00 0.00 C ATOM 1225 O GLY A 78 8.925 -0.457 11.621 1.00 0.00 O ATOM 0 H GLY A 78 10.014 2.234 12.136 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.900 0.888 13.872 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.411 1.724 13.477 1.00 0.00 H new ATOM 1229 N GLU A 79 6.816 0.344 11.492 1.00 0.00 N ATOM 1230 CA GLU A 79 6.374 -0.586 10.450 1.00 0.00 C ATOM 1231 C GLU A 79 4.908 -0.327 10.094 1.00 0.00 C ATOM 1232 O GLU A 79 4.612 0.349 9.106 1.00 0.00 O ATOM 1233 CB GLU A 79 6.559 -2.046 10.896 1.00 0.00 C ATOM 1234 CG GLU A 79 7.800 -2.707 10.316 1.00 0.00 C ATOM 1235 CD GLU A 79 7.519 -4.082 9.741 1.00 0.00 C ATOM 1236 OE1 GLU A 79 7.287 -5.021 10.531 1.00 0.00 O ATOM 1237 OE2 GLU A 79 7.534 -4.219 8.500 1.00 0.00 O ATOM 0 H GLU A 79 6.095 0.997 11.798 1.00 0.00 H new ATOM 0 HA GLU A 79 6.990 -0.419 9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.614 -2.081 11.984 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.681 -2.621 10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.214 -2.069 9.535 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.558 -2.792 11.094 1.00 0.00 H new ATOM 1244 N LYS A 80 3.996 -0.860 10.910 1.00 0.00 N ATOM 1245 CA LYS A 80 2.562 -0.683 10.691 1.00 0.00 C ATOM 1246 C LYS A 80 1.969 0.329 11.679 1.00 0.00 C ATOM 1247 O LYS A 80 0.937 0.945 11.397 1.00 0.00 O ATOM 1248 CB LYS A 80 1.839 -2.027 10.822 1.00 0.00 C ATOM 1249 CG LYS A 80 0.340 -1.941 10.584 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.380 -3.184 11.078 1.00 0.00 C ATOM 1251 CE LYS A 80 -0.928 -2.990 12.482 1.00 0.00 C ATOM 1252 NZ LYS A 80 -2.009 -3.965 12.796 1.00 0.00 N ATOM 0 H LYS A 80 4.228 -1.419 11.731 1.00 0.00 H new ATOM 0 HA LYS A 80 2.421 -0.295 9.682 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.271 -2.732 10.112 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.017 -2.429 11.819 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.059 -1.063 11.092 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.148 -1.808 9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.197 -3.427 10.398 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.306 -4.031 11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.120 -3.099 13.205 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.313 -1.975 12.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.356 -3.799 13.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.792 -3.845 12.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.635 -4.933 12.724 1.00 0.00 H new ATOM 1266 N ASP A 81 2.624 0.496 12.835 1.00 0.00 N ATOM 1267 CA ASP A 81 2.164 1.432 13.867 1.00 0.00 C ATOM 1268 C ASP A 81 1.943 2.839 13.300 1.00 0.00 C ATOM 1269 O ASP A 81 1.142 3.606 13.837 1.00 0.00 O ATOM 1270 CB ASP A 81 3.163 1.485 15.032 1.00 0.00 C ATOM 1271 CG ASP A 81 3.057 0.283 15.960 1.00 0.00 C ATOM 1272 OD1 ASP A 81 1.966 -0.323 16.039 1.00 0.00 O ATOM 1273 OD2 ASP A 81 4.070 -0.050 16.610 1.00 0.00 O ATOM 0 H ASP A 81 3.477 -0.007 13.079 1.00 0.00 H new ATOM 0 HA ASP A 81 1.206 1.065 14.235 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.176 1.541 14.633 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.996 2.396 15.606 1.00 0.00 H new ATOM 1278 N TYR A 82 2.647 3.167 12.208 1.00 0.00 N ATOM 1279 CA TYR A 82 2.514 4.474 11.560 1.00 0.00 C ATOM 1280 C TYR A 82 1.038 4.858 11.426 1.00 0.00 C ATOM 1281 O TYR A 82 0.307 4.279 10.617 1.00 0.00 O ATOM 1282 CB TYR A 82 3.182 4.448 10.180 1.00 0.00 C ATOM 1283 CG TYR A 82 3.028 5.732 9.390 1.00 0.00 C ATOM 1284 CD1 TYR A 82 1.924 5.941 8.571 1.00 0.00 C ATOM 1285 CD2 TYR A 82 3.991 6.731 9.459 1.00 0.00 C ATOM 1286 CE1 TYR A 82 1.784 7.107 7.845 1.00 0.00 C ATOM 1287 CE2 TYR A 82 3.857 7.901 8.737 1.00 0.00 C ATOM 1288 CZ TYR A 82 2.753 8.084 7.931 1.00 0.00 C ATOM 1289 OH TYR A 82 2.616 9.247 7.208 1.00 0.00 O ATOM 0 H TYR A 82 3.315 2.542 11.756 1.00 0.00 H new ATOM 0 HA TYR A 82 3.011 5.221 12.179 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.244 4.238 10.307 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.762 3.626 9.601 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.163 5.178 8.502 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.858 6.591 10.087 1.00 0.00 H new ATOM 0 HE1 TYR A 82 0.920 7.253 7.213 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.613 8.669 8.803 1.00 0.00 H new ATOM 0 HH TYR A 82 1.680 9.535 7.227 1.00 0.00 H new ATOM 1299 N ILE A 83 0.608 5.826 12.233 1.00 0.00 N ATOM 1300 CA ILE A 83 -0.779 6.279 12.216 1.00 0.00 C ATOM 1301 C ILE A 83 -1.103 7.001 10.911 1.00 0.00 C ATOM 1302 O ILE A 83 -0.297 7.790 10.412 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.086 7.214 13.410 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -0.603 6.593 14.729 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -2.578 7.513 13.478 1.00 0.00 C ATOM 1306 CD1 ILE A 83 0.368 7.469 15.494 1.00 0.00 C ATOM 0 H ILE A 83 1.201 6.311 12.906 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.405 5.390 12.299 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.548 8.150 13.258 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.467 6.386 15.361 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.126 5.636 14.517 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.779 8.172 14.323 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.894 8.000 12.555 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.130 6.582 13.605 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.665 6.965 16.414 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.250 7.656 14.881 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.112 8.417 15.738 1.00 0.00 H new ATOM 1318 N LEU A 84 -2.286 6.727 10.362 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.719 7.351 9.118 1.00 0.00 C ATOM 1320 C LEU A 84 -2.933 8.852 9.310 1.00 0.00 C ATOM 1321 O LEU A 84 -2.846 9.363 10.429 1.00 0.00 O ATOM 1322 CB LEU A 84 -4.007 6.692 8.613 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.828 5.320 7.948 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -5.136 4.849 7.328 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.726 5.366 6.896 1.00 0.00 C ATOM 0 H LEU A 84 -2.961 6.075 10.762 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.936 7.209 8.373 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.693 6.583 9.453 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.483 7.364 7.899 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.535 4.607 8.719 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.988 3.875 6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.898 4.768 8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.460 5.566 6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.618 4.382 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.985 6.096 6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.786 5.653 7.367 1.00 0.00 H new ATOM 1337 N GLU A 85 -3.212 9.553 8.213 1.00 0.00 N ATOM 1338 CA GLU A 85 -3.435 10.990 8.252 1.00 0.00 C ATOM 1339 C GLU A 85 -3.951 11.486 6.909 1.00 0.00 C ATOM 1340 O GLU A 85 -3.190 11.599 5.946 1.00 0.00 O ATOM 1341 CB GLU A 85 -2.143 11.728 8.612 1.00 0.00 C ATOM 1342 CG GLU A 85 -2.296 12.684 9.783 1.00 0.00 C ATOM 1343 CD GLU A 85 -0.987 13.346 10.168 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -0.034 12.619 10.520 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -0.914 14.592 10.115 1.00 0.00 O ATOM 0 H GLU A 85 -3.289 9.143 7.282 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.183 11.194 9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.370 10.997 8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.798 12.285 7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.026 13.452 9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.691 12.141 10.642 1.00 0.00 H new ATOM 1352 N ASP A 86 -5.251 11.771 6.855 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.892 12.257 5.631 1.00 0.00 C ATOM 1354 C ASP A 86 -5.016 13.292 4.928 1.00 0.00 C ATOM 1355 O ASP A 86 -4.851 14.415 5.411 1.00 0.00 O ATOM 1356 CB ASP A 86 -7.263 12.867 5.945 1.00 0.00 C ATOM 1357 CG ASP A 86 -8.262 12.687 4.813 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -7.837 12.633 3.638 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -9.472 12.597 5.103 1.00 0.00 O ATOM 0 H ASP A 86 -5.885 11.674 7.648 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.026 11.404 4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.661 12.409 6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.143 13.930 6.152 1.00 0.00 H new ATOM 1364 N GLY A 87 -4.453 12.897 3.788 1.00 0.00 N ATOM 1365 CA GLY A 87 -3.590 13.784 3.029 1.00 0.00 C ATOM 1366 C GLY A 87 -2.132 13.342 3.042 1.00 0.00 C ATOM 1367 O GLY A 87 -1.230 14.169 2.902 1.00 0.00 O ATOM 0 H GLY A 87 -4.581 11.973 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.941 13.831 1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.663 14.792 3.437 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.902 12.036 3.208 1.00 0.00 N ATOM 1372 CA ASP A 88 -0.549 11.486 3.237 1.00 0.00 C ATOM 1373 C ASP A 88 -0.136 10.968 1.859 1.00 0.00 C ATOM 1374 O ASP A 88 -0.976 10.792 0.973 1.00 0.00 O ATOM 1375 CB ASP A 88 -0.460 10.349 4.261 1.00 0.00 C ATOM 1376 CG ASP A 88 0.087 10.795 5.607 1.00 0.00 C ATOM 1377 OD1 ASP A 88 0.915 11.730 5.640 1.00 0.00 O ATOM 1378 OD2 ASP A 88 -0.311 10.201 6.630 1.00 0.00 O ATOM 0 H ASP A 88 -2.639 11.341 3.324 1.00 0.00 H new ATOM 0 HA ASP A 88 0.132 12.287 3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.451 9.919 4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.176 9.559 3.862 1.00 0.00 H new ATOM 1383 N ILE A 89 1.165 10.717 1.691 1.00 0.00 N ATOM 1384 CA ILE A 89 1.699 10.209 0.431 1.00 0.00 C ATOM 1385 C ILE A 89 2.510 8.932 0.660 1.00 0.00 C ATOM 1386 O ILE A 89 3.534 8.949 1.346 1.00 0.00 O ATOM 1387 CB ILE A 89 2.590 11.252 -0.282 1.00 0.00 C ATOM 1388 CG1 ILE A 89 1.897 12.619 -0.336 1.00 0.00 C ATOM 1389 CG2 ILE A 89 2.937 10.778 -1.688 1.00 0.00 C ATOM 1390 CD1 ILE A 89 0.601 12.618 -1.122 1.00 0.00 C ATOM 0 H ILE A 89 1.868 10.859 2.416 1.00 0.00 H new ATOM 0 HA ILE A 89 0.842 9.992 -0.207 1.00 0.00 H new ATOM 0 HB ILE A 89 3.512 11.361 0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.694 12.953 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.579 13.344 -0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.565 11.522 -2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.474 9.831 -1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.021 10.641 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.170 13.619 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.799 12.316 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.100 11.918 -0.667 1.00 0.00 H new ATOM 1402 N ILE A 90 2.038 7.827 0.083 1.00 0.00 N ATOM 1403 CA ILE A 90 2.706 6.533 0.219 1.00 0.00 C ATOM 1404 C ILE A 90 3.212 6.039 -1.139 1.00 0.00 C ATOM 1405 O ILE A 90 2.631 6.357 -2.176 1.00 0.00 O ATOM 1406 CB ILE A 90 1.758 5.471 0.827 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.150 5.976 2.142 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.493 4.157 1.055 1.00 0.00 C ATOM 1409 CD1 ILE A 90 -0.029 6.906 1.950 1.00 0.00 C ATOM 0 H ILE A 90 1.192 7.803 -0.486 1.00 0.00 H new ATOM 0 HA ILE A 90 3.552 6.675 0.891 1.00 0.00 H new ATOM 0 HB ILE A 90 0.950 5.295 0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.833 5.120 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.921 6.494 2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.807 3.426 1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.875 3.784 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.324 4.319 1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.406 7.222 2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.287 7.781 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.818 6.386 1.407 1.00 0.00 H new ATOM 1421 N SER A 91 4.298 5.265 -1.127 1.00 0.00 N ATOM 1422 CA SER A 91 4.875 4.735 -2.363 1.00 0.00 C ATOM 1423 C SER A 91 5.122 3.231 -2.263 1.00 0.00 C ATOM 1424 O SER A 91 5.526 2.729 -1.215 1.00 0.00 O ATOM 1425 CB SER A 91 6.189 5.448 -2.687 1.00 0.00 C ATOM 1426 OG SER A 91 6.001 6.849 -2.788 1.00 0.00 O ATOM 0 H SER A 91 4.794 4.992 -0.279 1.00 0.00 H new ATOM 0 HA SER A 91 4.157 4.914 -3.163 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.924 5.232 -1.911 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.593 5.064 -3.624 1.00 0.00 H new ATOM 0 HG SER A 91 6.857 7.280 -2.994 1.00 0.00 H new ATOM 1432 N PHE A 92 4.886 2.522 -3.368 1.00 0.00 N ATOM 1433 CA PHE A 92 5.091 1.075 -3.417 1.00 0.00 C ATOM 1434 C PHE A 92 5.909 0.686 -4.648 1.00 0.00 C ATOM 1435 O PHE A 92 5.367 0.517 -5.743 1.00 0.00 O ATOM 1436 CB PHE A 92 3.745 0.346 -3.418 1.00 0.00 C ATOM 1437 CG PHE A 92 3.256 -0.003 -2.041 1.00 0.00 C ATOM 1438 CD1 PHE A 92 2.530 0.914 -1.297 1.00 0.00 C ATOM 1439 CD2 PHE A 92 3.524 -1.246 -1.490 1.00 0.00 C ATOM 1440 CE1 PHE A 92 2.082 0.598 -0.030 1.00 0.00 C ATOM 1441 CE2 PHE A 92 3.077 -1.567 -0.223 1.00 0.00 C ATOM 1442 CZ PHE A 92 2.355 -0.644 0.508 1.00 0.00 C ATOM 0 H PHE A 92 4.552 2.928 -4.242 1.00 0.00 H new ATOM 0 HA PHE A 92 5.648 0.777 -2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.002 0.971 -3.912 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.835 -0.567 -4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.312 1.887 -1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.088 -1.971 -2.057 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.518 1.322 0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.292 -2.539 0.196 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.005 -0.893 1.499 1.00 0.00 H new ATOM 1452 N THR A 93 7.221 0.553 -4.458 1.00 0.00 N ATOM 1453 CA THR A 93 8.131 0.189 -5.544 1.00 0.00 C ATOM 1454 C THR A 93 8.473 -1.300 -5.499 1.00 0.00 C ATOM 1455 O THR A 93 8.383 -1.936 -4.446 1.00 0.00 O ATOM 1456 CB THR A 93 9.422 1.016 -5.460 1.00 0.00 C ATOM 1457 OG1 THR A 93 9.227 2.194 -4.694 1.00 0.00 O ATOM 1458 CG2 THR A 93 9.959 1.435 -6.812 1.00 0.00 C ATOM 0 H THR A 93 7.680 0.693 -3.558 1.00 0.00 H new ATOM 0 HA THR A 93 7.626 0.402 -6.486 1.00 0.00 H new ATOM 0 HB THR A 93 10.147 0.355 -4.986 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.065 2.701 -4.655 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.872 2.016 -6.677 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.178 0.548 -7.407 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.215 2.043 -7.326 1.00 0.00 H new ATOM 1466 N SER A 94 8.875 -1.848 -6.645 1.00 0.00 N ATOM 1467 CA SER A 94 9.242 -3.259 -6.732 1.00 0.00 C ATOM 1468 C SER A 94 10.229 -3.502 -7.872 1.00 0.00 C ATOM 1469 O SER A 94 9.847 -3.952 -8.954 1.00 0.00 O ATOM 1470 CB SER A 94 7.994 -4.128 -6.923 1.00 0.00 C ATOM 1471 OG SER A 94 8.303 -5.505 -6.777 1.00 0.00 O ATOM 0 H SER A 94 8.954 -1.337 -7.524 1.00 0.00 H new ATOM 0 HA SER A 94 9.726 -3.536 -5.795 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.234 -3.844 -6.195 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.571 -3.950 -7.912 1.00 0.00 H new ATOM 0 HG SER A 94 7.490 -6.038 -6.902 1.00 0.00 H new ATOM 1477 N THR A 95 11.504 -3.204 -7.621 1.00 0.00 N ATOM 1478 CA THR A 95 12.549 -3.398 -8.628 1.00 0.00 C ATOM 1479 C THR A 95 12.802 -4.885 -8.876 1.00 0.00 C ATOM 1480 O THR A 95 13.091 -5.292 -10.001 1.00 0.00 O ATOM 1481 CB THR A 95 13.852 -2.712 -8.199 1.00 0.00 C ATOM 1482 OG1 THR A 95 14.335 -3.251 -6.977 1.00 0.00 O ATOM 1483 CG2 THR A 95 13.709 -1.214 -8.026 1.00 0.00 C ATOM 0 H THR A 95 11.838 -2.829 -6.733 1.00 0.00 H new ATOM 0 HA THR A 95 12.202 -2.945 -9.556 1.00 0.00 H new ATOM 0 HB THR A 95 14.556 -2.901 -9.009 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.167 -2.798 -6.726 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.666 -0.790 -7.722 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.397 -0.767 -8.970 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.961 -1.006 -7.261 1.00 0.00 H new ATOM 1491 N LEU A 96 12.690 -5.692 -7.817 1.00 0.00 N ATOM 1492 CA LEU A 96 12.907 -7.135 -7.920 1.00 0.00 C ATOM 1493 C LEU A 96 11.902 -7.794 -8.872 1.00 0.00 C ATOM 1494 O LEU A 96 12.185 -8.852 -9.437 1.00 0.00 O ATOM 1495 CB LEU A 96 12.831 -7.793 -6.536 1.00 0.00 C ATOM 1496 CG LEU A 96 11.537 -7.545 -5.751 1.00 0.00 C ATOM 1497 CD1 LEU A 96 10.466 -8.550 -6.147 1.00 0.00 C ATOM 1498 CD2 LEU A 96 11.805 -7.613 -4.254 1.00 0.00 C ATOM 0 H LEU A 96 12.450 -5.369 -6.880 1.00 0.00 H new ATOM 0 HA LEU A 96 13.905 -7.284 -8.331 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.960 -8.868 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.670 -7.437 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 96 11.173 -6.547 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.557 -8.356 -5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.255 -8.456 -7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.818 -9.560 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.877 -7.435 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.192 -8.599 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.537 -6.853 -3.981 1.00 0.00 H new ATOM 1510 N HIS A 97 10.734 -7.163 -9.040 1.00 0.00 N ATOM 1511 CA HIS A 97 9.680 -7.675 -9.919 1.00 0.00 C ATOM 1512 C HIS A 97 8.946 -8.852 -9.276 1.00 0.00 C ATOM 1513 O HIS A 97 9.561 -9.858 -8.917 1.00 0.00 O ATOM 1514 CB HIS A 97 10.254 -8.090 -11.279 1.00 0.00 C ATOM 1515 CG HIS A 97 9.213 -8.293 -12.339 1.00 0.00 C ATOM 1516 ND1 HIS A 97 9.428 -9.055 -13.468 1.00 0.00 N ATOM 1517 CD2 HIS A 97 7.944 -7.829 -12.439 1.00 0.00 C ATOM 1518 CE1 HIS A 97 8.338 -9.049 -14.216 1.00 0.00 C ATOM 1519 NE2 HIS A 97 7.423 -8.314 -13.613 1.00 0.00 N ATOM 0 H HIS A 97 10.495 -6.288 -8.573 1.00 0.00 H new ATOM 0 HA HIS A 97 8.964 -6.868 -10.075 1.00 0.00 H new ATOM 0 HB2 HIS A 97 10.957 -7.327 -11.614 1.00 0.00 H new ATOM 0 HB3 HIS A 97 10.820 -9.013 -11.157 1.00 0.00 H new ATOM 0 HD2 HIS A 97 7.436 -7.195 -11.727 1.00 0.00 H new ATOM 0 HE1 HIS A 97 8.217 -9.559 -15.160 1.00 0.00 H new ATOM 0 HE2 HIS A 97 6.482 -8.135 -13.962 1.00 0.00 H new ATOM 1528 N GLY A 98 7.624 -8.713 -9.136 1.00 0.00 N ATOM 1529 CA GLY A 98 6.815 -9.764 -8.540 1.00 0.00 C ATOM 1530 C GLY A 98 6.841 -11.055 -9.340 1.00 0.00 C ATOM 1531 O GLY A 98 7.228 -12.103 -8.820 1.00 0.00 O ATOM 0 H GLY A 98 7.101 -7.887 -9.427 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.172 -9.961 -7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.785 -9.417 -8.452 1.00 0.00 H new ATOM 1535 N GLY A 99 6.429 -10.979 -10.606 1.00 0.00 N ATOM 1536 CA GLY A 99 6.414 -12.155 -11.460 1.00 0.00 C ATOM 1537 C GLY A 99 6.997 -11.883 -12.833 1.00 0.00 C ATOM 1538 O GLY A 99 8.223 -12.056 -13.003 1.00 0.00 O ATOM 0 H GLY A 99 6.105 -10.122 -11.054 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.979 -12.955 -10.981 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.389 -12.509 -11.568 1.00 0.00 H new TER 1542 GLY A 99