USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 731 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 -156:sc= -2.77 (180deg=-2.59!) USER MOD Set 1.2: A 40 HIS : no HD1:sc= -0.748 K(o=-3.5,f=-4.2) USER MOD Set 2.1: A 22 HIS : no HD1:sc= -0.0585 K(o=-0.059,f=-0.57) USER MOD Set 2.2: A 45 MET CE :methyl -166:sc=-0.000467 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.241 K(o=-0.24,f=-3.1) 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 19 GLN : amide:sc= 0 X(o=0,f=-0.0001) USER MOD Single : A 23 LYS NZ :NH3+ -109:sc=-0.00816 (180deg=-2.43!) USER MOD Single : A 25 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0153) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.212) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.281 X(o=0.28,f=0.68) USER MOD Single : A 48 ASN : amide:sc= -0.287 K(o=-0.29,f=-2.2!) USER MOD Single : A 50 ASN : amide:sc= -0.387 K(o=-0.39,f=-1.1) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 47:sc= 0.392 USER MOD Single : A 67 THR OG1 : rot -92:sc= 1.58 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.157 F(o=-0.7,f=-0.16) USER MOD Single : A 72 THR OG1 : rot 92:sc= 0.568 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0248 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -170:sc= -2.81! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -10.270 9.096 5.497 1.00 0.00 N ATOM 21 CA VAL A 2 -8.856 9.396 5.255 1.00 0.00 C ATOM 22 C VAL A 2 -8.433 9.008 3.838 1.00 0.00 C ATOM 23 O VAL A 2 -8.684 7.888 3.385 1.00 0.00 O ATOM 24 CB VAL A 2 -7.933 8.688 6.275 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.079 9.316 7.653 1.00 0.00 C ATOM 26 CG2 VAL A 2 -8.219 7.191 6.333 1.00 0.00 C ATOM 0 HA VAL A 2 -8.748 10.474 5.376 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.903 8.818 5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.422 8.805 8.357 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.807 10.370 7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.112 9.223 7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.555 6.721 7.058 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.255 7.030 6.632 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.052 6.750 5.350 1.00 0.00 H new ATOM 36 N ASN A 3 -7.791 9.950 3.142 1.00 0.00 N ATOM 37 CA ASN A 3 -7.329 9.729 1.773 1.00 0.00 C ATOM 38 C ASN A 3 -5.802 9.672 1.711 1.00 0.00 C ATOM 39 O ASN A 3 -5.116 10.448 2.380 1.00 0.00 O ATOM 40 CB ASN A 3 -7.832 10.848 0.853 1.00 0.00 C ATOM 41 CG ASN A 3 -9.347 10.930 0.773 1.00 0.00 C ATOM 42 OD1 ASN A 3 -10.063 10.095 1.326 1.00 0.00 O ATOM 43 ND2 ASN A 3 -9.845 11.946 0.073 1.00 0.00 N ATOM 0 H ASN A 3 -7.579 10.878 3.509 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.731 8.773 1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.442 11.802 1.208 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.431 10.692 -0.148 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.855 12.054 -0.021 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.217 12.617 -0.370 1.00 0.00 H new ATOM 50 N VAL A 4 -5.276 8.751 0.902 1.00 0.00 N ATOM 51 CA VAL A 4 -3.828 8.595 0.751 1.00 0.00 C ATOM 52 C VAL A 4 -3.443 8.302 -0.700 1.00 0.00 C ATOM 53 O VAL A 4 -4.086 7.493 -1.372 1.00 0.00 O ATOM 54 CB VAL A 4 -3.281 7.462 1.647 1.00 0.00 C ATOM 55 CG1 VAL A 4 -3.278 7.881 3.110 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.088 6.186 1.453 1.00 0.00 C ATOM 0 H VAL A 4 -5.830 8.103 0.342 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.385 9.542 1.058 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.251 7.263 1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.889 7.067 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.648 8.762 3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.295 8.115 3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.686 5.401 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.130 6.371 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.027 5.872 0.411 1.00 0.00 H new ATOM 66 N LYS A 5 -2.382 8.960 -1.172 1.00 0.00 N ATOM 67 CA LYS A 5 -1.896 8.768 -2.537 1.00 0.00 C ATOM 68 C LYS A 5 -0.755 7.753 -2.557 1.00 0.00 C ATOM 69 O LYS A 5 0.309 7.991 -1.981 1.00 0.00 O ATOM 70 CB LYS A 5 -1.425 10.101 -3.132 1.00 0.00 C ATOM 71 CG LYS A 5 -0.998 10.006 -4.592 1.00 0.00 C ATOM 72 CD LYS A 5 0.199 10.900 -4.888 1.00 0.00 C ATOM 73 CE LYS A 5 -0.222 12.192 -5.575 1.00 0.00 C ATOM 74 NZ LYS A 5 -0.344 13.328 -4.615 1.00 0.00 N ATOM 0 H LYS A 5 -1.843 9.632 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.717 8.386 -3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.229 10.831 -3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.589 10.476 -2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.748 8.972 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.832 10.290 -5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.718 11.134 -3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.906 10.364 -5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.507 12.446 -6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.177 12.039 -6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.632 14.186 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.058 13.098 -3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.573 13.492 -4.153 1.00 0.00 H new ATOM 88 N VAL A 6 -0.989 6.620 -3.217 1.00 0.00 N ATOM 89 CA VAL A 6 0.014 5.560 -3.310 1.00 0.00 C ATOM 90 C VAL A 6 0.511 5.385 -4.744 1.00 0.00 C ATOM 91 O VAL A 6 -0.258 5.510 -5.696 1.00 0.00 O ATOM 92 CB VAL A 6 -0.532 4.208 -2.798 1.00 0.00 C ATOM 93 CG1 VAL A 6 -0.526 4.166 -1.276 1.00 0.00 C ATOM 94 CG2 VAL A 6 -1.930 3.944 -3.339 1.00 0.00 C ATOM 0 H VAL A 6 -1.865 6.412 -3.696 1.00 0.00 H new ATOM 0 HA VAL A 6 0.846 5.868 -2.677 1.00 0.00 H new ATOM 0 HB VAL A 6 0.125 3.419 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.914 3.206 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.494 4.294 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.153 4.968 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.291 2.986 -2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.602 4.738 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.900 3.918 -4.428 1.00 0.00 H new ATOM 104 N GLU A 7 1.804 5.092 -4.887 1.00 0.00 N ATOM 105 CA GLU A 7 2.410 4.898 -6.203 1.00 0.00 C ATOM 106 C GLU A 7 2.721 3.423 -6.457 1.00 0.00 C ATOM 107 O GLU A 7 2.906 2.647 -5.519 1.00 0.00 O ATOM 108 CB GLU A 7 3.690 5.725 -6.319 1.00 0.00 C ATOM 109 CG GLU A 7 3.435 7.214 -6.508 1.00 0.00 C ATOM 110 CD GLU A 7 4.106 8.073 -5.449 1.00 0.00 C ATOM 111 OE1 GLU A 7 4.099 7.679 -4.262 1.00 0.00 O ATOM 112 OE2 GLU A 7 4.635 9.146 -5.808 1.00 0.00 O ATOM 0 H GLU A 7 2.452 4.984 -4.106 1.00 0.00 H new ATOM 0 HA GLU A 7 1.694 5.231 -6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.291 5.578 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.277 5.355 -7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.793 7.516 -7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.361 7.398 -6.489 1.00 0.00 H new ATOM 119 N PHE A 8 2.777 3.045 -7.734 1.00 0.00 N ATOM 120 CA PHE A 8 3.063 1.666 -8.120 1.00 0.00 C ATOM 121 C PHE A 8 3.931 1.615 -9.377 1.00 0.00 C ATOM 122 O PHE A 8 3.482 1.980 -10.467 1.00 0.00 O ATOM 123 CB PHE A 8 1.760 0.895 -8.351 1.00 0.00 C ATOM 124 CG PHE A 8 1.004 0.596 -7.088 1.00 0.00 C ATOM 125 CD1 PHE A 8 1.547 -0.231 -6.118 1.00 0.00 C ATOM 126 CD2 PHE A 8 -0.252 1.140 -6.872 1.00 0.00 C ATOM 127 CE1 PHE A 8 0.853 -0.509 -4.957 1.00 0.00 C ATOM 128 CE2 PHE A 8 -0.952 0.865 -5.713 1.00 0.00 C ATOM 129 CZ PHE A 8 -0.398 0.039 -4.754 1.00 0.00 C ATOM 0 H PHE A 8 2.627 3.678 -8.520 1.00 0.00 H new ATOM 0 HA PHE A 8 3.614 1.197 -7.305 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.120 1.472 -9.019 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.988 -0.042 -8.858 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.525 -0.663 -6.272 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.689 1.787 -7.619 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.288 -1.154 -4.208 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.930 1.295 -5.557 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.943 -0.178 -3.847 1.00 0.00 H new ATOM 139 N LEU A 9 5.176 1.165 -9.213 1.00 0.00 N ATOM 140 CA LEU A 9 6.117 1.064 -10.328 1.00 0.00 C ATOM 141 C LEU A 9 6.643 -0.362 -10.473 1.00 0.00 C ATOM 142 O LEU A 9 6.837 -1.066 -9.480 1.00 0.00 O ATOM 143 CB LEU A 9 7.290 2.029 -10.123 1.00 0.00 C ATOM 144 CG LEU A 9 7.092 3.438 -10.689 1.00 0.00 C ATOM 145 CD1 LEU A 9 7.005 3.401 -12.208 1.00 0.00 C ATOM 146 CD2 LEU A 9 5.851 4.088 -10.094 1.00 0.00 C ATOM 0 H LEU A 9 5.556 0.864 -8.316 1.00 0.00 H new ATOM 0 HA LEU A 9 5.585 1.332 -11.241 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.488 2.110 -9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.179 1.595 -10.580 1.00 0.00 H new ATOM 0 HG LEU A 9 7.957 4.040 -10.412 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.864 4.412 -12.589 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.926 2.985 -12.615 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.162 2.779 -12.509 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.729 5.088 -10.510 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.974 3.486 -10.334 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.959 4.156 -9.012 1.00 0.00 H new ATOM 158 N GLY A 10 6.881 -0.778 -11.717 1.00 0.00 N ATOM 159 CA GLY A 10 7.389 -2.114 -11.975 1.00 0.00 C ATOM 160 C GLY A 10 6.309 -3.063 -12.458 1.00 0.00 C ATOM 161 O GLY A 10 5.801 -2.918 -13.572 1.00 0.00 O ATOM 0 H GLY A 10 6.730 -0.211 -12.551 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.181 -2.060 -12.722 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.836 -2.511 -11.064 1.00 0.00 H new ATOM 165 N GLY A 11 5.961 -4.037 -11.616 1.00 0.00 N ATOM 166 CA GLY A 11 4.935 -5.007 -11.971 1.00 0.00 C ATOM 167 C GLY A 11 3.752 -4.995 -11.015 1.00 0.00 C ATOM 168 O GLY A 11 3.087 -6.017 -10.835 1.00 0.00 O ATOM 0 H GLY A 11 6.373 -4.171 -10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.581 -4.801 -12.981 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.374 -6.004 -11.985 1.00 0.00 H new ATOM 172 N LEU A 12 3.484 -3.839 -10.403 1.00 0.00 N ATOM 173 CA LEU A 12 2.370 -3.703 -9.466 1.00 0.00 C ATOM 174 C LEU A 12 1.169 -3.045 -10.144 1.00 0.00 C ATOM 175 O LEU A 12 0.044 -3.539 -10.049 1.00 0.00 O ATOM 176 CB LEU A 12 2.796 -2.885 -8.243 1.00 0.00 C ATOM 177 CG LEU A 12 2.725 -3.633 -6.910 1.00 0.00 C ATOM 178 CD1 LEU A 12 3.653 -2.993 -5.887 1.00 0.00 C ATOM 179 CD2 LEU A 12 1.291 -3.668 -6.397 1.00 0.00 C ATOM 0 H LEU A 12 4.024 -2.985 -10.541 1.00 0.00 H new ATOM 0 HA LEU A 12 2.079 -4.701 -9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.818 -2.538 -8.394 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.165 -1.999 -8.179 1.00 0.00 H new ATOM 0 HG LEU A 12 3.055 -4.659 -7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.589 -3.539 -4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.678 -3.025 -6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.358 -1.956 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.257 -4.203 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.932 -2.649 -6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.657 -4.176 -7.123 1.00 0.00 H new ATOM 191 N ASP A 13 1.422 -1.931 -10.833 1.00 0.00 N ATOM 192 CA ASP A 13 0.371 -1.195 -11.542 1.00 0.00 C ATOM 193 C ASP A 13 -0.224 -2.022 -12.685 1.00 0.00 C ATOM 194 O ASP A 13 -1.381 -1.827 -13.060 1.00 0.00 O ATOM 195 CB ASP A 13 0.920 0.128 -12.095 1.00 0.00 C ATOM 196 CG ASP A 13 2.150 -0.060 -12.967 1.00 0.00 C ATOM 197 OD1 ASP A 13 3.246 -0.284 -12.410 1.00 0.00 O ATOM 198 OD2 ASP A 13 2.015 0.015 -14.206 1.00 0.00 O ATOM 0 H ASP A 13 2.350 -1.516 -10.916 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.421 -0.987 -10.823 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.142 0.624 -12.675 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.168 0.788 -11.264 1.00 0.00 H new ATOM 203 N ALA A 14 0.570 -2.947 -13.235 1.00 0.00 N ATOM 204 CA ALA A 14 0.112 -3.796 -14.334 1.00 0.00 C ATOM 205 C ALA A 14 -0.976 -4.762 -13.868 1.00 0.00 C ATOM 206 O ALA A 14 -1.893 -5.086 -14.623 1.00 0.00 O ATOM 207 CB ALA A 14 1.277 -4.570 -14.937 1.00 0.00 C ATOM 0 H ALA A 14 1.529 -3.125 -12.937 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.312 -3.147 -15.100 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.915 -5.196 -15.753 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.020 -3.870 -15.319 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.731 -5.199 -14.171 1.00 0.00 H new ATOM 213 N ILE A 15 -0.866 -5.215 -12.620 1.00 0.00 N ATOM 214 CA ILE A 15 -1.837 -6.144 -12.047 1.00 0.00 C ATOM 215 C ILE A 15 -3.145 -5.432 -11.697 1.00 0.00 C ATOM 216 O ILE A 15 -4.228 -5.994 -11.858 1.00 0.00 O ATOM 217 CB ILE A 15 -1.284 -6.834 -10.778 1.00 0.00 C ATOM 218 CG1 ILE A 15 0.143 -7.344 -11.009 1.00 0.00 C ATOM 219 CG2 ILE A 15 -2.192 -7.980 -10.356 1.00 0.00 C ATOM 220 CD1 ILE A 15 0.759 -8.001 -9.789 1.00 0.00 C ATOM 0 H ILE A 15 -0.112 -4.952 -11.985 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.030 -6.901 -12.807 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.257 -6.095 -9.977 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.135 -8.059 -11.831 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.772 -6.510 -11.318 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.788 -8.454 -9.462 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.189 -7.595 -10.143 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.250 -8.713 -11.160 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.768 -8.337 -10.027 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.799 -7.283 -8.970 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.153 -8.856 -9.491 1.00 0.00 H new ATOM 232 N PHE A 16 -3.038 -4.194 -11.212 1.00 0.00 N ATOM 233 CA PHE A 16 -4.215 -3.412 -10.835 1.00 0.00 C ATOM 234 C PHE A 16 -5.026 -3.000 -12.064 1.00 0.00 C ATOM 235 O PHE A 16 -6.192 -3.371 -12.199 1.00 0.00 O ATOM 236 CB PHE A 16 -3.799 -2.167 -10.044 1.00 0.00 C ATOM 237 CG PHE A 16 -3.457 -2.438 -8.602 1.00 0.00 C ATOM 238 CD1 PHE A 16 -2.511 -3.394 -8.263 1.00 0.00 C ATOM 239 CD2 PHE A 16 -4.079 -1.729 -7.586 1.00 0.00 C ATOM 240 CE1 PHE A 16 -2.195 -3.638 -6.940 1.00 0.00 C ATOM 241 CE2 PHE A 16 -3.766 -1.969 -6.262 1.00 0.00 C ATOM 242 CZ PHE A 16 -2.823 -2.924 -5.938 1.00 0.00 C ATOM 0 H PHE A 16 -2.150 -3.713 -11.071 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.844 -4.042 -10.206 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.937 -1.712 -10.531 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.608 -1.438 -10.083 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.016 -3.954 -9.042 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.817 -0.980 -7.832 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.458 -4.386 -6.690 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.259 -1.410 -5.481 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.577 -3.112 -4.903 1.00 0.00 H new ATOM 252 N GLY A 17 -4.401 -2.228 -12.952 1.00 0.00 N ATOM 253 CA GLY A 17 -5.076 -1.770 -14.157 1.00 0.00 C ATOM 254 C GLY A 17 -4.330 -0.641 -14.848 1.00 0.00 C ATOM 255 O GLY A 17 -4.930 0.368 -15.224 1.00 0.00 O ATOM 0 H GLY A 17 -3.436 -1.911 -12.858 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.185 -2.606 -14.848 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.081 -1.434 -13.901 1.00 0.00 H new ATOM 259 N LYS A 18 -3.017 -0.812 -15.008 1.00 0.00 N ATOM 260 CA LYS A 18 -2.169 0.196 -15.648 1.00 0.00 C ATOM 261 C LYS A 18 -2.267 1.543 -14.923 1.00 0.00 C ATOM 262 O LYS A 18 -2.185 2.602 -15.549 1.00 0.00 O ATOM 263 CB LYS A 18 -2.548 0.370 -17.128 1.00 0.00 C ATOM 264 CG LYS A 18 -2.670 -0.938 -17.896 1.00 0.00 C ATOM 265 CD LYS A 18 -1.504 -1.135 -18.851 1.00 0.00 C ATOM 266 CE LYS A 18 -1.552 -2.501 -19.520 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.325 -2.472 -20.794 1.00 0.00 N ATOM 0 H LYS A 18 -2.515 -1.645 -14.701 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.139 -0.156 -15.587 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.496 0.904 -17.189 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.798 0.995 -17.613 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.711 -1.771 -17.194 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.605 -0.946 -18.456 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.521 -0.355 -19.613 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.565 -1.028 -18.307 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.536 -2.843 -19.720 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.003 -3.223 -18.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.333 -3.422 -21.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.302 -2.171 -20.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.881 -1.803 -21.455 1.00 0.00 H new ATOM 281 N GLN A 19 -2.439 1.497 -13.599 1.00 0.00 N ATOM 282 CA GLN A 19 -2.543 2.713 -12.797 1.00 0.00 C ATOM 283 C GLN A 19 -1.330 2.863 -11.885 1.00 0.00 C ATOM 284 O GLN A 19 -1.226 2.177 -10.866 1.00 0.00 O ATOM 285 CB GLN A 19 -3.826 2.695 -11.958 1.00 0.00 C ATOM 286 CG GLN A 19 -5.093 2.888 -12.774 1.00 0.00 C ATOM 287 CD GLN A 19 -5.336 4.340 -13.145 1.00 0.00 C ATOM 288 OE1 GLN A 19 -4.883 4.808 -14.189 1.00 0.00 O ATOM 289 NE2 GLN A 19 -6.054 5.062 -12.290 1.00 0.00 N ATOM 0 H GLN A 19 -2.509 0.632 -13.063 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.577 3.564 -13.477 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.888 1.746 -11.426 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.767 3.480 -11.204 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.029 2.291 -13.684 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.946 2.515 -12.207 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.411 4.634 -11.435 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.248 6.043 -12.489 1.00 0.00 H new ATOM 298 N ARG A 20 -0.415 3.761 -12.255 1.00 0.00 N ATOM 299 CA ARG A 20 0.792 3.997 -11.463 1.00 0.00 C ATOM 300 C ARG A 20 0.429 4.493 -10.065 1.00 0.00 C ATOM 301 O ARG A 20 0.617 3.781 -9.080 1.00 0.00 O ATOM 302 CB ARG A 20 1.705 5.011 -12.161 1.00 0.00 C ATOM 303 CG ARG A 20 2.454 4.437 -13.351 1.00 0.00 C ATOM 304 CD ARG A 20 3.033 5.539 -14.227 1.00 0.00 C ATOM 305 NE ARG A 20 3.106 5.142 -15.632 1.00 0.00 N ATOM 306 CZ ARG A 20 3.970 4.241 -16.111 1.00 0.00 C ATOM 307 NH1 ARG A 20 4.840 3.641 -15.302 1.00 0.00 N ATOM 308 NH2 ARG A 20 3.962 3.942 -17.405 1.00 0.00 N ATOM 0 H ARG A 20 -0.487 4.335 -13.095 1.00 0.00 H new ATOM 0 HA ARG A 20 1.327 3.052 -11.370 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.105 5.858 -12.494 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.426 5.395 -11.439 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.257 3.790 -12.999 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.780 3.816 -13.942 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.419 6.435 -14.135 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.030 5.798 -13.871 1.00 0.00 H new ATOM 0 HE ARG A 20 2.458 5.579 -16.287 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.851 3.867 -14.307 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.495 2.955 -15.677 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.298 4.399 -18.030 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.620 3.255 -17.774 1.00 0.00 H new ATOM 322 N VAL A 21 -0.099 5.715 -9.985 1.00 0.00 N ATOM 323 CA VAL A 21 -0.492 6.294 -8.704 1.00 0.00 C ATOM 324 C VAL A 21 -1.992 6.124 -8.463 1.00 0.00 C ATOM 325 O VAL A 21 -2.811 6.434 -9.330 1.00 0.00 O ATOM 326 CB VAL A 21 -0.112 7.790 -8.615 1.00 0.00 C ATOM 327 CG1 VAL A 21 -0.849 8.607 -9.665 1.00 0.00 C ATOM 328 CG2 VAL A 21 -0.381 8.334 -7.220 1.00 0.00 C ATOM 0 H VAL A 21 -0.263 6.319 -10.790 1.00 0.00 H new ATOM 0 HA VAL A 21 0.054 5.756 -7.929 1.00 0.00 H new ATOM 0 HB VAL A 21 0.956 7.876 -8.814 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.562 9.655 -9.578 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.590 8.241 -10.659 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.924 8.512 -9.512 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.106 9.388 -7.181 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.440 8.226 -6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.210 7.778 -6.492 1.00 0.00 H new ATOM 338 N HIS A 22 -2.340 5.621 -7.280 1.00 0.00 N ATOM 339 CA HIS A 22 -3.738 5.396 -6.916 1.00 0.00 C ATOM 340 C HIS A 22 -4.068 6.030 -5.563 1.00 0.00 C ATOM 341 O HIS A 22 -3.169 6.387 -4.799 1.00 0.00 O ATOM 342 CB HIS A 22 -4.028 3.893 -6.877 1.00 0.00 C ATOM 343 CG HIS A 22 -5.476 3.553 -7.064 1.00 0.00 C ATOM 344 ND1 HIS A 22 -6.326 3.282 -6.014 1.00 0.00 N ATOM 345 CD2 HIS A 22 -6.226 3.446 -8.188 1.00 0.00 C ATOM 346 CE1 HIS A 22 -7.533 3.019 -6.482 1.00 0.00 C ATOM 347 NE2 HIS A 22 -7.501 3.114 -7.799 1.00 0.00 N ATOM 0 H HIS A 22 -1.671 5.361 -6.555 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.367 5.868 -7.670 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.445 3.399 -7.654 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.690 3.492 -5.922 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.884 3.594 -9.202 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.400 2.769 -5.888 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.293 2.965 -8.424 1.00 0.00 H new ATOM 356 N LYS A 23 -5.364 6.168 -5.273 1.00 0.00 N ATOM 357 CA LYS A 23 -5.813 6.758 -4.013 1.00 0.00 C ATOM 358 C LYS A 23 -6.832 5.861 -3.312 1.00 0.00 C ATOM 359 O LYS A 23 -7.771 5.369 -3.939 1.00 0.00 O ATOM 360 CB LYS A 23 -6.423 8.139 -4.259 1.00 0.00 C ATOM 361 CG LYS A 23 -5.398 9.261 -4.274 1.00 0.00 C ATOM 362 CD LYS A 23 -6.037 10.604 -3.961 1.00 0.00 C ATOM 363 CE LYS A 23 -5.134 11.464 -3.088 1.00 0.00 C ATOM 364 NZ LYS A 23 -5.022 10.935 -1.697 1.00 0.00 N ATOM 0 H LYS A 23 -6.119 5.879 -5.894 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.942 6.859 -3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.953 8.129 -5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.163 8.344 -3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.616 9.050 -3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.919 9.304 -5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.254 11.130 -4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.989 10.445 -3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.142 11.516 -3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.524 12.482 -3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.532 11.564 -1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.436 9.982 -1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.020 10.890 -1.422 1.00 0.00 H new ATOM 378 N ILE A 24 -6.639 5.655 -2.007 1.00 0.00 N ATOM 379 CA ILE A 24 -7.544 4.820 -1.219 1.00 0.00 C ATOM 380 C ILE A 24 -8.234 5.630 -0.126 1.00 0.00 C ATOM 381 O ILE A 24 -7.648 6.557 0.438 1.00 0.00 O ATOM 382 CB ILE A 24 -6.803 3.630 -0.568 1.00 0.00 C ATOM 383 CG1 ILE A 24 -5.915 2.919 -1.593 1.00 0.00 C ATOM 384 CG2 ILE A 24 -7.797 2.650 0.045 1.00 0.00 C ATOM 385 CD1 ILE A 24 -6.687 2.281 -2.731 1.00 0.00 C ATOM 0 H ILE A 24 -5.865 6.055 -1.476 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.292 4.435 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.166 4.019 0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.205 3.636 -2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.333 2.150 -1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.256 1.819 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.386 3.159 0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.460 2.270 -0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.991 1.797 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.378 1.539 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.248 3.048 -3.265 1.00 0.00 H new ATOM 397 N LYS A 25 -9.483 5.271 0.168 1.00 0.00 N ATOM 398 CA LYS A 25 -10.261 5.955 1.194 1.00 0.00 C ATOM 399 C LYS A 25 -10.803 4.951 2.217 1.00 0.00 C ATOM 400 O LYS A 25 -11.902 4.416 2.052 1.00 0.00 O ATOM 401 CB LYS A 25 -11.414 6.739 0.551 1.00 0.00 C ATOM 402 CG LYS A 25 -10.961 7.767 -0.480 1.00 0.00 C ATOM 403 CD LYS A 25 -10.799 7.147 -1.862 1.00 0.00 C ATOM 404 CE LYS A 25 -12.025 7.384 -2.734 1.00 0.00 C ATOM 405 NZ LYS A 25 -12.104 8.790 -3.227 1.00 0.00 N ATOM 0 H LYS A 25 -9.977 4.507 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.608 6.656 1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.097 6.036 0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.976 7.247 1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.687 8.578 -0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.014 8.205 -0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.919 7.568 -2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.625 6.076 -1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.000 6.703 -3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.924 7.150 -2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.094 9.030 -3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.738 9.435 -2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.535 8.887 -4.092 1.00 0.00 H new ATOM 419 N MET A 26 -10.020 4.695 3.270 1.00 0.00 N ATOM 420 CA MET A 26 -10.417 3.749 4.318 1.00 0.00 C ATOM 421 C MET A 26 -11.632 4.261 5.093 1.00 0.00 C ATOM 422 O MET A 26 -11.811 5.472 5.255 1.00 0.00 O ATOM 423 CB MET A 26 -9.255 3.496 5.285 1.00 0.00 C ATOM 424 CG MET A 26 -8.861 2.031 5.395 1.00 0.00 C ATOM 425 SD MET A 26 -9.971 1.093 6.463 1.00 0.00 S ATOM 426 CE MET A 26 -9.477 -0.585 6.079 1.00 0.00 C ATOM 0 H MET A 26 -9.109 5.129 3.419 1.00 0.00 H new ATOM 0 HA MET A 26 -10.687 2.812 3.831 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.390 4.073 4.958 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.529 3.865 6.273 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.856 1.584 4.401 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.844 1.960 5.782 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.299 -1.266 6.300 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.221 -0.656 5.022 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.610 -0.856 6.681 1.00 0.00 H new ATOM 436 N ASP A 27 -12.463 3.331 5.571 1.00 0.00 N ATOM 437 CA ASP A 27 -13.660 3.685 6.327 1.00 0.00 C ATOM 438 C ASP A 27 -13.669 3.016 7.703 1.00 0.00 C ATOM 439 O ASP A 27 -13.983 1.831 7.828 1.00 0.00 O ATOM 440 CB ASP A 27 -14.917 3.293 5.542 1.00 0.00 C ATOM 441 CG ASP A 27 -16.132 4.111 5.937 1.00 0.00 C ATOM 442 OD1 ASP A 27 -16.022 5.356 5.988 1.00 0.00 O ATOM 443 OD2 ASP A 27 -17.195 3.508 6.193 1.00 0.00 O ATOM 0 H ASP A 27 -12.326 2.328 5.446 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.654 4.764 6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.729 3.420 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.127 2.236 5.705 1.00 0.00 H new ATOM 448 N LYS A 28 -13.326 3.794 8.733 1.00 0.00 N ATOM 449 CA LYS A 28 -13.299 3.295 10.111 1.00 0.00 C ATOM 450 C LYS A 28 -13.208 4.448 11.110 1.00 0.00 C ATOM 451 O LYS A 28 -14.022 4.548 12.029 1.00 0.00 O ATOM 452 CB LYS A 28 -12.128 2.325 10.319 1.00 0.00 C ATOM 453 CG LYS A 28 -12.317 1.391 11.508 1.00 0.00 C ATOM 454 CD LYS A 28 -11.302 0.257 11.497 1.00 0.00 C ATOM 455 CE LYS A 28 -10.784 -0.058 12.895 1.00 0.00 C ATOM 456 NZ LYS A 28 -11.887 -0.245 13.883 1.00 0.00 N ATOM 0 H LYS A 28 -13.062 4.775 8.638 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.231 2.758 10.286 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.995 1.729 9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.212 2.899 10.460 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.221 1.957 12.435 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.325 0.978 11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.760 -0.635 11.070 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.465 0.525 10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.176 -0.962 12.859 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.134 0.751 13.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.531 -0.774 14.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.235 0.684 14.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.664 -0.775 13.440 1.00 0.00 H new ATOM 470 N GLU A 29 -12.213 5.312 10.920 1.00 0.00 N ATOM 471 CA GLU A 29 -12.000 6.467 11.797 1.00 0.00 C ATOM 472 C GLU A 29 -10.880 7.359 11.254 1.00 0.00 C ATOM 473 O GLU A 29 -10.460 7.206 10.104 1.00 0.00 O ATOM 474 CB GLU A 29 -11.655 5.995 13.218 1.00 0.00 C ATOM 475 CG GLU A 29 -12.400 6.744 14.315 1.00 0.00 C ATOM 476 CD GLU A 29 -13.899 6.515 14.268 1.00 0.00 C ATOM 477 OE1 GLU A 29 -14.596 7.286 13.575 1.00 0.00 O ATOM 478 OE2 GLU A 29 -14.373 5.562 14.920 1.00 0.00 O ATOM 0 H GLU A 29 -11.536 5.235 10.161 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.921 7.049 11.829 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.879 4.931 13.301 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.583 6.109 13.378 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.019 6.430 15.287 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.197 7.811 14.223 1.00 0.00 H new ATOM 485 N ASP A 30 -10.395 8.286 12.083 1.00 0.00 N ATOM 486 CA ASP A 30 -9.317 9.188 11.678 1.00 0.00 C ATOM 487 C ASP A 30 -7.949 8.534 11.891 1.00 0.00 C ATOM 488 O ASP A 30 -7.185 8.368 10.939 1.00 0.00 O ATOM 489 CB ASP A 30 -9.391 10.514 12.447 1.00 0.00 C ATOM 490 CG ASP A 30 -10.141 11.597 11.690 1.00 0.00 C ATOM 491 OD1 ASP A 30 -9.930 11.727 10.465 1.00 0.00 O ATOM 492 OD2 ASP A 30 -10.936 12.319 12.328 1.00 0.00 O ATOM 0 H ASP A 30 -10.731 8.431 13.035 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.442 9.396 10.615 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.879 10.345 13.407 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.380 10.861 12.660 1.00 0.00 H new ATOM 497 N PRO A 31 -7.617 8.150 13.144 1.00 0.00 N ATOM 498 CA PRO A 31 -6.333 7.513 13.459 1.00 0.00 C ATOM 499 C PRO A 31 -6.284 6.044 13.026 1.00 0.00 C ATOM 500 O PRO A 31 -6.073 5.148 13.846 1.00 0.00 O ATOM 501 CB PRO A 31 -6.252 7.640 14.981 1.00 0.00 C ATOM 502 CG PRO A 31 -7.671 7.626 15.433 1.00 0.00 C ATOM 503 CD PRO A 31 -8.463 8.306 14.349 1.00 0.00 C ATOM 0 HA PRO A 31 -5.499 7.979 12.934 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.688 6.816 15.418 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.751 8.562 15.276 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.020 6.605 15.588 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.782 8.149 16.383 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.440 7.841 14.215 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.639 9.356 14.581 1.00 0.00 H new ATOM 511 N VAL A 32 -6.471 5.809 11.726 1.00 0.00 N ATOM 512 CA VAL A 32 -6.442 4.459 11.170 1.00 0.00 C ATOM 513 C VAL A 32 -5.006 4.020 10.911 1.00 0.00 C ATOM 514 O VAL A 32 -4.229 4.756 10.306 1.00 0.00 O ATOM 515 CB VAL A 32 -7.239 4.374 9.851 1.00 0.00 C ATOM 516 CG1 VAL A 32 -7.309 2.938 9.360 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.635 4.952 10.027 1.00 0.00 C ATOM 0 H VAL A 32 -6.645 6.541 11.037 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.904 3.797 11.903 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.719 4.967 9.099 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.875 2.899 8.429 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.300 2.563 9.187 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.802 2.320 10.111 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.179 4.882 9.085 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.167 4.391 10.796 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.561 5.997 10.326 1.00 0.00 H new ATOM 527 N THR A 33 -4.654 2.819 11.366 1.00 0.00 N ATOM 528 CA THR A 33 -3.303 2.296 11.170 1.00 0.00 C ATOM 529 C THR A 33 -3.033 2.037 9.693 1.00 0.00 C ATOM 530 O THR A 33 -3.937 1.666 8.943 1.00 0.00 O ATOM 531 CB THR A 33 -3.096 1.009 11.978 1.00 0.00 C ATOM 532 OG1 THR A 33 -4.146 0.085 11.739 1.00 0.00 O ATOM 533 CG2 THR A 33 -3.025 1.246 13.474 1.00 0.00 C ATOM 0 H THR A 33 -5.281 2.193 11.870 1.00 0.00 H new ATOM 0 HA THR A 33 -2.598 3.047 11.526 1.00 0.00 H new ATOM 0 HB THR A 33 -2.139 0.611 11.641 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.992 -0.728 12.263 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.878 0.295 13.986 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.191 1.912 13.698 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.955 1.702 13.815 1.00 0.00 H new ATOM 541 N VAL A 34 -1.785 2.237 9.280 1.00 0.00 N ATOM 542 CA VAL A 34 -1.394 2.026 7.887 1.00 0.00 C ATOM 543 C VAL A 34 -1.761 0.619 7.409 1.00 0.00 C ATOM 544 O VAL A 34 -2.117 0.427 6.242 1.00 0.00 O ATOM 545 CB VAL A 34 0.111 2.269 7.686 1.00 0.00 C ATOM 546 CG1 VAL A 34 0.933 1.249 8.455 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.467 2.254 6.205 1.00 0.00 C ATOM 0 H VAL A 34 -1.026 2.545 9.888 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.947 2.750 7.289 1.00 0.00 H new ATOM 0 HB VAL A 34 0.351 3.256 8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.994 1.442 8.296 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.705 1.325 9.518 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.690 0.246 8.103 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.536 2.428 6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.207 1.285 5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.088 3.038 5.690 1.00 0.00 H new ATOM 557 N GLY A 35 -1.698 -0.358 8.322 1.00 0.00 N ATOM 558 CA GLY A 35 -2.054 -1.724 7.978 1.00 0.00 C ATOM 559 C GLY A 35 -3.489 -1.833 7.484 1.00 0.00 C ATOM 560 O GLY A 35 -3.823 -2.748 6.733 1.00 0.00 O ATOM 0 H GLY A 35 -1.407 -0.223 9.290 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.377 -2.092 7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.922 -2.364 8.851 1.00 0.00 H new ATOM 564 N ASP A 36 -4.333 -0.878 7.894 1.00 0.00 N ATOM 565 CA ASP A 36 -5.732 -0.854 7.476 1.00 0.00 C ATOM 566 C ASP A 36 -5.844 -0.387 6.024 1.00 0.00 C ATOM 567 O ASP A 36 -6.631 -0.929 5.248 1.00 0.00 O ATOM 568 CB ASP A 36 -6.557 0.056 8.401 1.00 0.00 C ATOM 569 CG ASP A 36 -7.648 -0.692 9.155 1.00 0.00 C ATOM 570 OD1 ASP A 36 -8.036 -1.796 8.718 1.00 0.00 O ATOM 571 OD2 ASP A 36 -8.114 -0.167 10.187 1.00 0.00 O ATOM 0 H ASP A 36 -4.067 -0.114 8.515 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.132 -1.865 7.547 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.891 0.535 9.118 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.012 0.850 7.809 1.00 0.00 H new ATOM 576 N LEU A 37 -5.032 0.609 5.659 1.00 0.00 N ATOM 577 CA LEU A 37 -5.017 1.139 4.297 1.00 0.00 C ATOM 578 C LEU A 37 -4.750 0.019 3.296 1.00 0.00 C ATOM 579 O LEU A 37 -5.549 -0.215 2.386 1.00 0.00 O ATOM 580 CB LEU A 37 -3.948 2.231 4.161 1.00 0.00 C ATOM 581 CG LEU A 37 -4.228 3.302 3.101 1.00 0.00 C ATOM 582 CD1 LEU A 37 -4.426 2.671 1.730 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.439 4.138 3.494 1.00 0.00 C ATOM 0 H LEU A 37 -4.375 1.065 6.292 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.993 1.575 4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.831 2.723 5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.995 1.755 3.928 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.361 3.961 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.623 3.452 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.526 2.125 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.271 1.983 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.623 4.893 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.313 3.493 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.249 4.627 4.449 1.00 0.00 H new ATOM 595 N ILE A 38 -3.627 -0.684 3.479 1.00 0.00 N ATOM 596 CA ILE A 38 -3.266 -1.790 2.602 1.00 0.00 C ATOM 597 C ILE A 38 -4.350 -2.866 2.619 1.00 0.00 C ATOM 598 O ILE A 38 -4.627 -3.496 1.597 1.00 0.00 O ATOM 599 CB ILE A 38 -1.905 -2.417 2.992 1.00 0.00 C ATOM 600 CG1 ILE A 38 -1.824 -2.695 4.499 1.00 0.00 C ATOM 601 CG2 ILE A 38 -0.759 -1.515 2.554 1.00 0.00 C ATOM 602 CD1 ILE A 38 -0.689 -3.622 4.881 1.00 0.00 C ATOM 0 H ILE A 38 -2.957 -0.503 4.227 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.175 -1.382 1.595 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.819 -3.372 2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.705 -1.750 5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.766 -3.131 4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.190 -1.970 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.792 -1.384 1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.854 -0.544 3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.691 -3.775 5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.818 -4.581 4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.260 -3.179 4.579 1.00 0.00 H new ATOM 614 N ASP A 39 -4.973 -3.057 3.786 1.00 0.00 N ATOM 615 CA ASP A 39 -6.040 -4.042 3.937 1.00 0.00 C ATOM 616 C ASP A 39 -7.234 -3.681 3.059 1.00 0.00 C ATOM 617 O ASP A 39 -7.805 -4.544 2.400 1.00 0.00 O ATOM 618 CB ASP A 39 -6.482 -4.144 5.399 1.00 0.00 C ATOM 619 CG ASP A 39 -6.811 -5.568 5.806 1.00 0.00 C ATOM 620 OD1 ASP A 39 -7.654 -6.201 5.135 1.00 0.00 O ATOM 621 OD2 ASP A 39 -6.224 -6.051 6.797 1.00 0.00 O ATOM 0 H ASP A 39 -4.754 -2.541 4.638 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.650 -5.009 3.621 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.691 -3.759 6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.357 -3.513 5.556 1.00 0.00 H new ATOM 626 N HIS A 40 -7.604 -2.398 3.054 1.00 0.00 N ATOM 627 CA HIS A 40 -8.730 -1.925 2.249 1.00 0.00 C ATOM 628 C HIS A 40 -8.515 -2.236 0.767 1.00 0.00 C ATOM 629 O HIS A 40 -9.451 -2.616 0.064 1.00 0.00 O ATOM 630 CB HIS A 40 -8.930 -0.418 2.441 1.00 0.00 C ATOM 631 CG HIS A 40 -10.369 -0.003 2.545 1.00 0.00 C ATOM 632 ND1 HIS A 40 -11.284 -0.645 3.355 1.00 0.00 N ATOM 633 CD2 HIS A 40 -11.046 1.006 1.945 1.00 0.00 C ATOM 634 CE1 HIS A 40 -12.459 -0.049 3.247 1.00 0.00 C ATOM 635 NE2 HIS A 40 -12.342 0.956 2.399 1.00 0.00 N ATOM 0 H HIS A 40 -7.140 -1.670 3.598 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.625 -2.449 2.585 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.406 -0.104 3.343 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.470 0.109 1.605 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.642 1.718 1.240 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.362 -0.336 3.765 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -13.091 1.592 2.125 1.00 0.00 H new ATOM 644 N ILE A 41 -7.273 -2.076 0.303 1.00 0.00 N ATOM 645 CA ILE A 41 -6.932 -2.347 -1.093 1.00 0.00 C ATOM 646 C ILE A 41 -7.019 -3.843 -1.399 1.00 0.00 C ATOM 647 O ILE A 41 -7.313 -4.236 -2.527 1.00 0.00 O ATOM 648 CB ILE A 41 -5.512 -1.846 -1.443 1.00 0.00 C ATOM 649 CG1 ILE A 41 -5.334 -0.384 -1.018 1.00 0.00 C ATOM 650 CG2 ILE A 41 -5.245 -2.001 -2.935 1.00 0.00 C ATOM 651 CD1 ILE A 41 -3.892 0.010 -0.774 1.00 0.00 C ATOM 0 H ILE A 41 -6.489 -1.761 0.874 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.657 -1.807 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.791 -2.453 -0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.752 0.262 -1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.908 -0.207 -0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.241 -1.644 -3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.328 -3.052 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.975 -1.419 -3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.846 1.058 -0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.474 -0.610 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.316 -0.133 -1.688 1.00 0.00 H new ATOM 663 N VAL A 42 -6.756 -4.673 -0.390 1.00 0.00 N ATOM 664 CA VAL A 42 -6.799 -6.123 -0.557 1.00 0.00 C ATOM 665 C VAL A 42 -8.142 -6.715 -0.099 1.00 0.00 C ATOM 666 O VAL A 42 -8.391 -7.907 -0.281 1.00 0.00 O ATOM 667 CB VAL A 42 -5.648 -6.802 0.221 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.598 -8.295 -0.073 1.00 0.00 C ATOM 669 CG2 VAL A 42 -4.314 -6.144 -0.113 1.00 0.00 C ATOM 0 H VAL A 42 -6.511 -4.365 0.551 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.683 -6.320 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.838 -6.674 1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.780 -8.749 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.540 -8.756 0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.438 -8.451 -1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.516 -6.635 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.120 -6.236 -1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.350 -5.089 0.160 1.00 0.00 H new ATOM 679 N SER A 43 -9.002 -5.885 0.501 1.00 0.00 N ATOM 680 CA SER A 43 -10.303 -6.347 0.982 1.00 0.00 C ATOM 681 C SER A 43 -11.429 -5.974 0.015 1.00 0.00 C ATOM 682 O SER A 43 -12.080 -6.852 -0.554 1.00 0.00 O ATOM 683 CB SER A 43 -10.591 -5.775 2.375 1.00 0.00 C ATOM 684 OG SER A 43 -11.689 -6.437 2.982 1.00 0.00 O ATOM 0 H SER A 43 -8.819 -4.895 0.663 1.00 0.00 H new ATOM 0 HA SER A 43 -10.264 -7.435 1.043 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.707 -5.879 3.004 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.803 -4.709 2.297 1.00 0.00 H new ATOM 0 HG SER A 43 -11.851 -6.055 3.870 1.00 0.00 H new ATOM 690 N THR A 44 -11.665 -4.672 -0.157 1.00 0.00 N ATOM 691 CA THR A 44 -12.726 -4.194 -1.047 1.00 0.00 C ATOM 692 C THR A 44 -12.223 -4.041 -2.481 1.00 0.00 C ATOM 693 O THR A 44 -12.840 -4.550 -3.418 1.00 0.00 O ATOM 694 CB THR A 44 -13.291 -2.859 -0.546 1.00 0.00 C ATOM 695 OG1 THR A 44 -13.311 -2.817 0.870 1.00 0.00 O ATOM 696 CG2 THR A 44 -14.700 -2.588 -1.033 1.00 0.00 C ATOM 0 H THR A 44 -11.138 -3.932 0.306 1.00 0.00 H new ATOM 0 HA THR A 44 -13.520 -4.941 -1.042 1.00 0.00 H new ATOM 0 HB THR A 44 -12.627 -2.096 -0.951 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.673 -1.956 1.167 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.041 -1.629 -0.644 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.710 -2.561 -2.123 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.364 -3.379 -0.684 1.00 0.00 H new ATOM 704 N MET A 45 -11.105 -3.334 -2.647 1.00 0.00 N ATOM 705 CA MET A 45 -10.524 -3.112 -3.971 1.00 0.00 C ATOM 706 C MET A 45 -10.212 -4.438 -4.666 1.00 0.00 C ATOM 707 O MET A 45 -10.622 -4.657 -5.807 1.00 0.00 O ATOM 708 CB MET A 45 -9.255 -2.261 -3.863 1.00 0.00 C ATOM 709 CG MET A 45 -9.142 -1.191 -4.936 1.00 0.00 C ATOM 710 SD MET A 45 -8.359 -1.800 -6.442 1.00 0.00 S ATOM 711 CE MET A 45 -7.937 -0.261 -7.255 1.00 0.00 C ATOM 0 H MET A 45 -10.584 -2.906 -1.882 1.00 0.00 H new ATOM 0 HA MET A 45 -11.258 -2.577 -4.573 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.231 -1.784 -2.883 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.384 -2.914 -3.921 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.137 -0.814 -5.175 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.568 -0.350 -4.547 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.677 -0.458 -8.295 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.790 0.417 -7.217 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.087 0.197 -6.749 1.00 0.00 H new ATOM 721 N ILE A 46 -9.486 -5.320 -3.976 1.00 0.00 N ATOM 722 CA ILE A 46 -9.124 -6.619 -4.536 1.00 0.00 C ATOM 723 C ILE A 46 -9.752 -7.759 -3.737 1.00 0.00 C ATOM 724 O ILE A 46 -9.858 -7.686 -2.514 1.00 0.00 O ATOM 725 CB ILE A 46 -7.594 -6.815 -4.566 1.00 0.00 C ATOM 726 CG1 ILE A 46 -6.918 -5.635 -5.267 1.00 0.00 C ATOM 727 CG2 ILE A 46 -7.236 -8.123 -5.259 1.00 0.00 C ATOM 728 CD1 ILE A 46 -5.452 -5.485 -4.924 1.00 0.00 C ATOM 0 H ILE A 46 -9.139 -5.157 -3.031 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.507 -6.638 -5.557 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.232 -6.860 -3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.019 -5.757 -6.345 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.441 -4.717 -5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.153 -8.244 -5.271 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.688 -8.956 -4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.610 -8.107 -6.283 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.039 -4.629 -5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.343 -5.331 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.916 -6.388 -5.217 1.00 0.00 H new ATOM 740 N ASN A 47 -10.157 -8.816 -4.440 1.00 0.00 N ATOM 741 CA ASN A 47 -10.763 -9.983 -3.805 1.00 0.00 C ATOM 742 C ASN A 47 -10.733 -11.186 -4.750 1.00 0.00 C ATOM 743 O ASN A 47 -11.703 -11.941 -4.844 1.00 0.00 O ATOM 744 CB ASN A 47 -12.205 -9.677 -3.378 1.00 0.00 C ATOM 745 CG ASN A 47 -12.637 -10.495 -2.174 1.00 0.00 C ATOM 746 OD1 ASN A 47 -12.786 -11.715 -2.261 1.00 0.00 O ATOM 747 ND2 ASN A 47 -12.839 -9.829 -1.041 1.00 0.00 N ATOM 0 H ASN A 47 -10.075 -8.887 -5.454 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.183 -10.227 -2.915 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.295 -8.616 -3.144 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.878 -9.878 -4.211 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.129 -10.329 -0.200 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -12.704 -8.818 -1.013 1.00 0.00 H new ATOM 754 N ASN A 48 -9.611 -11.355 -5.453 1.00 0.00 N ATOM 755 CA ASN A 48 -9.452 -12.462 -6.389 1.00 0.00 C ATOM 756 C ASN A 48 -8.096 -13.135 -6.203 1.00 0.00 C ATOM 757 O ASN A 48 -7.055 -12.494 -6.375 1.00 0.00 O ATOM 758 CB ASN A 48 -9.591 -11.966 -7.831 1.00 0.00 C ATOM 759 CG ASN A 48 -10.411 -12.908 -8.693 1.00 0.00 C ATOM 760 OD1 ASN A 48 -11.188 -13.718 -8.187 1.00 0.00 O ATOM 761 ND2 ASN A 48 -10.241 -12.806 -10.007 1.00 0.00 N ATOM 0 H ASN A 48 -8.801 -10.738 -5.390 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.236 -13.192 -6.187 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.058 -10.981 -7.830 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.600 -11.848 -8.269 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.765 -13.413 -10.638 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.587 -12.121 -10.385 1.00 0.00 H new ATOM 768 N PRO A 49 -8.092 -14.439 -5.840 1.00 0.00 N ATOM 769 CA PRO A 49 -6.854 -15.204 -5.620 1.00 0.00 C ATOM 770 C PRO A 49 -5.973 -15.274 -6.869 1.00 0.00 C ATOM 771 O PRO A 49 -5.903 -16.307 -7.539 1.00 0.00 O ATOM 772 CB PRO A 49 -7.354 -16.604 -5.228 1.00 0.00 C ATOM 773 CG PRO A 49 -8.757 -16.398 -4.776 1.00 0.00 C ATOM 774 CD PRO A 49 -9.289 -15.268 -5.609 1.00 0.00 C ATOM 0 HA PRO A 49 -6.224 -14.738 -4.862 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.308 -17.291 -6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.743 -17.034 -4.435 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.350 -17.301 -4.916 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.795 -16.154 -3.714 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.721 -15.624 -6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -10.070 -14.714 -5.088 1.00 0.00 H new ATOM 782 N ASN A 50 -5.306 -14.163 -7.170 1.00 0.00 N ATOM 783 CA ASN A 50 -4.422 -14.067 -8.326 1.00 0.00 C ATOM 784 C ASN A 50 -3.541 -12.825 -8.219 1.00 0.00 C ATOM 785 O ASN A 50 -2.316 -12.925 -8.158 1.00 0.00 O ATOM 786 CB ASN A 50 -5.229 -14.021 -9.632 1.00 0.00 C ATOM 787 CG ASN A 50 -5.339 -15.386 -10.290 1.00 0.00 C ATOM 788 OD1 ASN A 50 -4.388 -16.167 -10.285 1.00 0.00 O ATOM 789 ND2 ASN A 50 -6.502 -15.684 -10.863 1.00 0.00 N ATOM 0 H ASN A 50 -5.363 -13.306 -6.620 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.789 -14.955 -8.340 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.228 -13.638 -9.426 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.757 -13.324 -10.324 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.629 -16.587 -11.319 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.267 -15.009 -10.846 1.00 0.00 H new ATOM 796 N ASP A 51 -4.176 -11.654 -8.183 1.00 0.00 N ATOM 797 CA ASP A 51 -3.456 -10.392 -8.072 1.00 0.00 C ATOM 798 C ASP A 51 -3.035 -10.117 -6.628 1.00 0.00 C ATOM 799 O ASP A 51 -1.981 -9.527 -6.390 1.00 0.00 O ATOM 800 CB ASP A 51 -4.302 -9.231 -8.617 1.00 0.00 C ATOM 801 CG ASP A 51 -5.688 -9.108 -7.996 1.00 0.00 C ATOM 802 OD1 ASP A 51 -6.138 -10.047 -7.311 1.00 0.00 O ATOM 803 OD2 ASP A 51 -6.328 -8.058 -8.201 1.00 0.00 O ATOM 0 H ASP A 51 -5.190 -11.556 -8.229 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.552 -10.474 -8.675 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.762 -8.298 -8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.411 -9.353 -9.695 1.00 0.00 H new ATOM 808 N VAL A 52 -3.850 -10.550 -5.665 1.00 0.00 N ATOM 809 CA VAL A 52 -3.527 -10.344 -4.256 1.00 0.00 C ATOM 810 C VAL A 52 -2.797 -11.561 -3.687 1.00 0.00 C ATOM 811 O VAL A 52 -1.842 -11.415 -2.928 1.00 0.00 O ATOM 812 CB VAL A 52 -4.790 -10.035 -3.416 1.00 0.00 C ATOM 813 CG1 VAL A 52 -4.712 -10.663 -2.032 1.00 0.00 C ATOM 814 CG2 VAL A 52 -4.995 -8.534 -3.300 1.00 0.00 C ATOM 0 H VAL A 52 -4.729 -11.040 -5.834 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.869 -9.477 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.644 -10.473 -3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.616 -10.424 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.620 -11.745 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.844 -10.271 -1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.887 -8.333 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.128 -8.085 -2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.117 -8.106 -4.295 1.00 0.00 H new ATOM 824 N SER A 53 -3.251 -12.760 -4.061 1.00 0.00 N ATOM 825 CA SER A 53 -2.634 -14.000 -3.587 1.00 0.00 C ATOM 826 C SER A 53 -1.142 -14.041 -3.927 1.00 0.00 C ATOM 827 O SER A 53 -0.340 -14.563 -3.153 1.00 0.00 O ATOM 828 CB SER A 53 -3.336 -15.221 -4.191 1.00 0.00 C ATOM 829 OG SER A 53 -3.530 -16.232 -3.216 1.00 0.00 O ATOM 0 H SER A 53 -4.042 -12.898 -4.690 1.00 0.00 H new ATOM 0 HA SER A 53 -2.744 -14.027 -2.503 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.299 -14.922 -4.606 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.742 -15.615 -5.015 1.00 0.00 H new ATOM 0 HG SER A 53 -3.981 -16.999 -3.626 1.00 0.00 H new ATOM 835 N ILE A 54 -0.773 -13.489 -5.086 1.00 0.00 N ATOM 836 CA ILE A 54 0.626 -13.472 -5.511 1.00 0.00 C ATOM 837 C ILE A 54 1.350 -12.223 -4.996 1.00 0.00 C ATOM 838 O ILE A 54 2.539 -12.277 -4.676 1.00 0.00 O ATOM 839 CB ILE A 54 0.757 -13.549 -7.050 1.00 0.00 C ATOM 840 CG1 ILE A 54 -0.068 -14.718 -7.601 1.00 0.00 C ATOM 841 CG2 ILE A 54 2.219 -13.700 -7.453 1.00 0.00 C ATOM 842 CD1 ILE A 54 -0.214 -14.705 -9.110 1.00 0.00 C ATOM 0 H ILE A 54 -1.420 -13.051 -5.742 1.00 0.00 H new ATOM 0 HA ILE A 54 1.095 -14.356 -5.079 1.00 0.00 H new ATOM 0 HB ILE A 54 0.373 -12.622 -7.474 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.399 -15.655 -7.298 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.060 -14.696 -7.149 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.293 -13.753 -8.539 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.786 -12.842 -7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.624 -14.613 -7.017 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.810 -15.562 -9.425 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.710 -13.785 -9.420 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.772 -14.759 -9.571 1.00 0.00 H new ATOM 854 N PHE A 55 0.629 -11.102 -4.909 1.00 0.00 N ATOM 855 CA PHE A 55 1.210 -9.849 -4.422 1.00 0.00 C ATOM 856 C PHE A 55 1.509 -9.929 -2.922 1.00 0.00 C ATOM 857 O PHE A 55 2.570 -9.494 -2.472 1.00 0.00 O ATOM 858 CB PHE A 55 0.262 -8.677 -4.714 1.00 0.00 C ATOM 859 CG PHE A 55 0.756 -7.335 -4.232 1.00 0.00 C ATOM 860 CD1 PHE A 55 2.061 -6.930 -4.466 1.00 0.00 C ATOM 861 CD2 PHE A 55 -0.094 -6.478 -3.549 1.00 0.00 C ATOM 862 CE1 PHE A 55 2.508 -5.698 -4.027 1.00 0.00 C ATOM 863 CE2 PHE A 55 0.348 -5.244 -3.109 1.00 0.00 C ATOM 864 CZ PHE A 55 1.651 -4.854 -3.348 1.00 0.00 C ATOM 0 H PHE A 55 -0.355 -11.037 -5.169 1.00 0.00 H new ATOM 0 HA PHE A 55 2.151 -9.683 -4.947 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.093 -8.623 -5.789 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.703 -8.883 -4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.736 -7.585 -4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.114 -6.778 -3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.528 -5.395 -4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.325 -4.586 -2.579 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.999 -3.891 -3.005 1.00 0.00 H new ATOM 874 N ILE A 56 0.565 -10.481 -2.155 1.00 0.00 N ATOM 875 CA ILE A 56 0.728 -10.610 -0.708 1.00 0.00 C ATOM 876 C ILE A 56 0.382 -12.024 -0.229 1.00 0.00 C ATOM 877 O ILE A 56 -0.562 -12.644 -0.722 1.00 0.00 O ATOM 878 CB ILE A 56 -0.151 -9.589 0.054 1.00 0.00 C ATOM 879 CG1 ILE A 56 -0.043 -8.200 -0.586 1.00 0.00 C ATOM 880 CG2 ILE A 56 0.248 -9.530 1.524 1.00 0.00 C ATOM 881 CD1 ILE A 56 -0.932 -7.159 0.062 1.00 0.00 C ATOM 0 H ILE A 56 -0.318 -10.845 -2.513 1.00 0.00 H new ATOM 0 HA ILE A 56 1.777 -10.407 -0.494 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.188 -9.918 -0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.993 -7.865 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.299 -8.276 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.381 -8.807 2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.119 -10.514 1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.292 -9.227 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.801 -6.203 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.974 -7.471 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.662 -7.053 1.113 1.00 0.00 H new ATOM 893 N GLU A 57 1.153 -12.517 0.743 1.00 0.00 N ATOM 894 CA GLU A 57 0.938 -13.849 1.311 1.00 0.00 C ATOM 895 C GLU A 57 -0.112 -13.795 2.425 1.00 0.00 C ATOM 896 O GLU A 57 -0.776 -12.771 2.609 1.00 0.00 O ATOM 897 CB GLU A 57 2.259 -14.403 1.860 1.00 0.00 C ATOM 898 CG GLU A 57 2.468 -15.885 1.581 1.00 0.00 C ATOM 899 CD GLU A 57 3.914 -16.225 1.275 1.00 0.00 C ATOM 900 OE1 GLU A 57 4.703 -16.378 2.231 1.00 0.00 O ATOM 901 OE2 GLU A 57 4.258 -16.338 0.079 1.00 0.00 O ATOM 0 H GLU A 57 1.936 -12.010 1.155 1.00 0.00 H new ATOM 0 HA GLU A 57 0.574 -14.509 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.086 -13.841 1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.292 -14.238 2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.138 -16.463 2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.843 -16.184 0.739 1.00 0.00 H new ATOM 908 N ASP A 58 -0.262 -14.899 3.166 1.00 0.00 N ATOM 909 CA ASP A 58 -1.233 -14.961 4.258 1.00 0.00 C ATOM 910 C ASP A 58 -0.877 -13.949 5.346 1.00 0.00 C ATOM 911 O ASP A 58 -0.084 -14.237 6.245 1.00 0.00 O ATOM 912 CB ASP A 58 -1.303 -16.377 4.845 1.00 0.00 C ATOM 913 CG ASP A 58 -2.014 -17.351 3.925 1.00 0.00 C ATOM 914 OD1 ASP A 58 -3.261 -17.305 3.859 1.00 0.00 O ATOM 915 OD2 ASP A 58 -1.323 -18.157 3.268 1.00 0.00 O ATOM 0 H ASP A 58 0.274 -15.756 3.029 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.215 -14.709 3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.293 -16.737 5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.820 -16.344 5.804 1.00 0.00 H new ATOM 920 N ASP A 59 -1.466 -12.754 5.241 1.00 0.00 N ATOM 921 CA ASP A 59 -1.225 -11.670 6.193 1.00 0.00 C ATOM 922 C ASP A 59 0.269 -11.336 6.298 1.00 0.00 C ATOM 923 O ASP A 59 0.796 -11.140 7.395 1.00 0.00 O ATOM 924 CB ASP A 59 -1.790 -12.033 7.572 1.00 0.00 C ATOM 925 CG ASP A 59 -3.260 -11.683 7.706 1.00 0.00 C ATOM 926 OD1 ASP A 59 -3.608 -10.495 7.539 1.00 0.00 O ATOM 927 OD2 ASP A 59 -4.064 -12.599 7.980 1.00 0.00 O ATOM 0 H ASP A 59 -2.120 -12.513 4.496 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.739 -10.783 5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.656 -13.101 7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.223 -11.510 8.343 1.00 0.00 H new ATOM 932 N SER A 60 0.948 -11.269 5.148 1.00 0.00 N ATOM 933 CA SER A 60 2.377 -10.957 5.117 1.00 0.00 C ATOM 934 C SER A 60 2.839 -10.625 3.699 1.00 0.00 C ATOM 935 O SER A 60 2.587 -11.382 2.762 1.00 0.00 O ATOM 936 CB SER A 60 3.190 -12.130 5.674 1.00 0.00 C ATOM 937 OG SER A 60 3.578 -11.888 7.015 1.00 0.00 O ATOM 0 H SER A 60 0.531 -11.426 4.231 1.00 0.00 H new ATOM 0 HA SER A 60 2.543 -10.080 5.743 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.598 -13.044 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.076 -12.288 5.058 1.00 0.00 H new ATOM 0 HG SER A 60 2.807 -11.561 7.525 1.00 0.00 H new ATOM 943 N ILE A 61 3.519 -9.486 3.551 1.00 0.00 N ATOM 944 CA ILE A 61 4.019 -9.049 2.247 1.00 0.00 C ATOM 945 C ILE A 61 5.198 -9.908 1.788 1.00 0.00 C ATOM 946 O ILE A 61 5.921 -10.477 2.607 1.00 0.00 O ATOM 947 CB ILE A 61 4.456 -7.566 2.274 1.00 0.00 C ATOM 948 CG1 ILE A 61 3.348 -6.689 2.859 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.820 -7.087 0.876 1.00 0.00 C ATOM 950 CD1 ILE A 61 3.747 -5.974 4.134 1.00 0.00 C ATOM 0 H ILE A 61 3.736 -8.850 4.318 1.00 0.00 H new ATOM 0 HA ILE A 61 3.195 -9.163 1.543 1.00 0.00 H new ATOM 0 HB ILE A 61 5.338 -7.485 2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.052 -5.949 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.474 -7.308 3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.125 -6.041 0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.641 -7.689 0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.955 -7.187 0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.911 -5.372 4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.015 -6.708 4.894 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.602 -5.327 3.936 1.00 0.00 H new ATOM 962 N ARG A 62 5.387 -9.990 0.471 1.00 0.00 N ATOM 963 CA ARG A 62 6.480 -10.773 -0.102 1.00 0.00 C ATOM 964 C ARG A 62 7.749 -9.930 -0.232 1.00 0.00 C ATOM 965 O ARG A 62 7.686 -8.757 -0.609 1.00 0.00 O ATOM 966 CB ARG A 62 6.086 -11.325 -1.475 1.00 0.00 C ATOM 967 CG ARG A 62 5.345 -12.652 -1.411 1.00 0.00 C ATOM 968 CD ARG A 62 5.152 -13.257 -2.796 1.00 0.00 C ATOM 969 NE ARG A 62 6.295 -14.075 -3.205 1.00 0.00 N ATOM 970 CZ ARG A 62 7.339 -13.614 -3.903 1.00 0.00 C ATOM 971 NH1 ARG A 62 7.391 -12.340 -4.290 1.00 0.00 N ATOM 972 NH2 ARG A 62 8.337 -14.432 -4.218 1.00 0.00 N ATOM 0 H ARG A 62 4.797 -9.524 -0.218 1.00 0.00 H new ATOM 0 HA ARG A 62 6.681 -11.605 0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.459 -10.593 -1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.985 -11.450 -2.078 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.900 -13.349 -0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.373 -12.504 -0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.249 -13.868 -2.801 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.000 -12.458 -3.522 1.00 0.00 H new ATOM 0 HE ARG A 62 6.295 -15.060 -2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.629 -11.704 -4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.193 -12.001 -4.822 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.306 -15.409 -3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.134 -14.083 -4.750 1.00 0.00 H new ATOM 986 N PRO A 63 8.923 -10.521 0.077 1.00 0.00 N ATOM 987 CA PRO A 63 10.214 -9.822 -0.009 1.00 0.00 C ATOM 988 C PRO A 63 10.473 -9.247 -1.401 1.00 0.00 C ATOM 989 O PRO A 63 10.430 -9.972 -2.398 1.00 0.00 O ATOM 990 CB PRO A 63 11.239 -10.916 0.309 1.00 0.00 C ATOM 991 CG PRO A 63 10.483 -11.940 1.080 1.00 0.00 C ATOM 992 CD PRO A 63 9.083 -11.916 0.535 1.00 0.00 C ATOM 0 HA PRO A 63 10.256 -8.969 0.668 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.660 -11.340 -0.603 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.072 -10.520 0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.931 -12.927 0.962 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.491 -11.711 2.146 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.957 -12.625 -0.283 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.349 -12.176 1.298 1.00 0.00 H new ATOM 1000 N GLY A 64 10.743 -7.943 -1.461 1.00 0.00 N ATOM 1001 CA GLY A 64 11.007 -7.294 -2.735 1.00 0.00 C ATOM 1002 C GLY A 64 10.259 -5.981 -2.895 1.00 0.00 C ATOM 1003 O GLY A 64 10.845 -4.977 -3.304 1.00 0.00 O ATOM 0 H GLY A 64 10.783 -7.326 -0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.077 -7.111 -2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.727 -7.967 -3.545 1.00 0.00 H new ATOM 1007 N ILE A 65 8.962 -5.989 -2.576 1.00 0.00 N ATOM 1008 CA ILE A 65 8.133 -4.788 -2.689 1.00 0.00 C ATOM 1009 C ILE A 65 8.607 -3.704 -1.722 1.00 0.00 C ATOM 1010 O ILE A 65 8.513 -3.856 -0.503 1.00 0.00 O ATOM 1011 CB ILE A 65 6.638 -5.096 -2.427 1.00 0.00 C ATOM 1012 CG1 ILE A 65 6.166 -6.267 -3.300 1.00 0.00 C ATOM 1013 CG2 ILE A 65 5.783 -3.860 -2.683 1.00 0.00 C ATOM 1014 CD1 ILE A 65 5.337 -7.287 -2.550 1.00 0.00 C ATOM 0 H ILE A 65 8.465 -6.813 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 65 8.236 -4.427 -3.712 1.00 0.00 H new ATOM 0 HB ILE A 65 6.526 -5.381 -1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.580 -5.876 -4.132 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.037 -6.763 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.736 -4.096 -2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.099 -3.055 -2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.902 -3.544 -3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.039 -8.085 -3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.927 -7.707 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.447 -6.805 -2.144 1.00 0.00 H new ATOM 1026 N ILE A 66 9.126 -2.616 -2.286 1.00 0.00 N ATOM 1027 CA ILE A 66 9.636 -1.493 -1.502 1.00 0.00 C ATOM 1028 C ILE A 66 8.521 -0.499 -1.149 1.00 0.00 C ATOM 1029 O ILE A 66 7.585 -0.303 -1.927 1.00 0.00 O ATOM 1030 CB ILE A 66 10.749 -0.757 -2.278 1.00 0.00 C ATOM 1031 CG1 ILE A 66 11.910 -1.711 -2.587 1.00 0.00 C ATOM 1032 CG2 ILE A 66 11.245 0.453 -1.496 1.00 0.00 C ATOM 1033 CD1 ILE A 66 11.949 -2.174 -4.029 1.00 0.00 C ATOM 0 H ILE A 66 9.205 -2.488 -3.295 1.00 0.00 H new ATOM 0 HA ILE A 66 10.042 -1.900 -0.576 1.00 0.00 H new ATOM 0 HB ILE A 66 10.331 -0.404 -3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 66 12.850 -1.214 -2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.836 -2.582 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.029 0.956 -2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.418 1.143 -1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.644 0.127 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.796 -2.845 -4.173 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.024 -2.700 -4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 66 12.055 -1.310 -4.686 1.00 0.00 H new ATOM 1045 N THR A 67 8.633 0.127 0.031 1.00 0.00 N ATOM 1046 CA THR A 67 7.636 1.100 0.487 1.00 0.00 C ATOM 1047 C THR A 67 8.290 2.281 1.214 1.00 0.00 C ATOM 1048 O THR A 67 9.204 2.093 2.020 1.00 0.00 O ATOM 1049 CB THR A 67 6.618 0.431 1.420 1.00 0.00 C ATOM 1050 OG1 THR A 67 6.315 -0.886 0.990 1.00 0.00 O ATOM 1051 CG2 THR A 67 5.315 1.193 1.524 1.00 0.00 C ATOM 0 H THR A 67 9.402 -0.024 0.684 1.00 0.00 H new ATOM 0 HA THR A 67 7.127 1.479 -0.399 1.00 0.00 H new ATOM 0 HB THR A 67 7.096 0.418 2.399 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.530 -0.866 0.404 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.639 0.667 2.198 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.508 2.193 1.911 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.858 1.268 0.537 1.00 0.00 H new ATOM 1059 N LEU A 68 7.802 3.496 0.932 1.00 0.00 N ATOM 1060 CA LEU A 68 8.326 4.712 1.565 1.00 0.00 C ATOM 1061 C LEU A 68 7.214 5.743 1.781 1.00 0.00 C ATOM 1062 O LEU A 68 6.479 6.081 0.851 1.00 0.00 O ATOM 1063 CB LEU A 68 9.446 5.325 0.717 1.00 0.00 C ATOM 1064 CG LEU A 68 10.729 4.492 0.627 1.00 0.00 C ATOM 1065 CD1 LEU A 68 11.724 5.142 -0.323 1.00 0.00 C ATOM 1066 CD2 LEU A 68 11.350 4.310 2.006 1.00 0.00 C ATOM 0 H LEU A 68 7.045 3.662 0.269 1.00 0.00 H new ATOM 0 HA LEU A 68 8.732 4.430 2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.067 5.489 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.696 6.304 1.127 1.00 0.00 H new ATOM 0 HG LEU A 68 10.470 3.509 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.628 4.536 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.282 5.218 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.975 6.139 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.260 3.716 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.592 5.286 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.643 3.798 2.659 1.00 0.00 H new ATOM 1078 N ILE A 69 7.099 6.237 3.016 1.00 0.00 N ATOM 1079 CA ILE A 69 6.078 7.229 3.363 1.00 0.00 C ATOM 1080 C ILE A 69 6.596 8.657 3.168 1.00 0.00 C ATOM 1081 O ILE A 69 7.154 9.255 4.092 1.00 0.00 O ATOM 1082 CB ILE A 69 5.601 7.071 4.827 1.00 0.00 C ATOM 1083 CG1 ILE A 69 5.273 5.608 5.144 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.390 7.955 5.095 1.00 0.00 C ATOM 1085 CD1 ILE A 69 5.146 5.326 6.627 1.00 0.00 C ATOM 0 H ILE A 69 7.701 5.966 3.793 1.00 0.00 H new ATOM 0 HA ILE A 69 5.238 7.052 2.691 1.00 0.00 H new ATOM 0 HB ILE A 69 6.414 7.387 5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.340 5.337 4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.052 4.970 4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.070 7.830 6.129 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.655 8.998 4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.577 7.671 4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.913 4.272 6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.086 5.565 7.125 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.347 5.938 7.047 1.00 0.00 H new ATOM 1097 N ASN A 70 6.397 9.201 1.965 1.00 0.00 N ATOM 1098 CA ASN A 70 6.832 10.564 1.642 1.00 0.00 C ATOM 1099 C ASN A 70 8.332 10.743 1.896 1.00 0.00 C ATOM 1100 O ASN A 70 8.740 11.501 2.780 1.00 0.00 O ATOM 1101 CB ASN A 70 6.019 11.586 2.452 1.00 0.00 C ATOM 1102 CG ASN A 70 5.481 12.717 1.593 1.00 0.00 C ATOM 1103 OD1 ASN A 70 4.191 13.012 1.732 1.00 0.00 O flip ATOM 1104 ND2 ASN A 70 6.216 13.323 0.814 1.00 0.00 N flip ATOM 0 H ASN A 70 5.936 8.717 1.195 1.00 0.00 H new ATOM 0 HA ASN A 70 6.653 10.735 0.580 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.187 11.078 2.940 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.646 12.001 3.241 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.200 13.066 0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.841 14.082 0.245 1.00 0.00 H new ATOM 1111 N ASP A 71 9.146 10.032 1.110 1.00 0.00 N ATOM 1112 CA ASP A 71 10.607 10.091 1.229 1.00 0.00 C ATOM 1113 C ASP A 71 11.082 9.600 2.603 1.00 0.00 C ATOM 1114 O ASP A 71 12.169 9.963 3.059 1.00 0.00 O ATOM 1115 CB ASP A 71 11.108 11.519 0.975 1.00 0.00 C ATOM 1116 CG ASP A 71 10.769 12.020 -0.418 1.00 0.00 C ATOM 1117 OD1 ASP A 71 9.620 12.464 -0.625 1.00 0.00 O ATOM 1118 OD2 ASP A 71 11.652 11.966 -1.301 1.00 0.00 O ATOM 0 H ASP A 71 8.815 9.403 0.378 1.00 0.00 H new ATOM 0 HA ASP A 71 11.026 9.427 0.473 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.671 12.190 1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.188 11.551 1.115 1.00 0.00 H new ATOM 1123 N THR A 72 10.267 8.767 3.252 1.00 0.00 N ATOM 1124 CA THR A 72 10.606 8.223 4.562 1.00 0.00 C ATOM 1125 C THR A 72 10.420 6.707 4.571 1.00 0.00 C ATOM 1126 O THR A 72 9.779 6.152 3.678 1.00 0.00 O ATOM 1127 CB THR A 72 9.737 8.868 5.652 1.00 0.00 C ATOM 1128 OG1 THR A 72 9.485 10.233 5.366 1.00 0.00 O ATOM 1129 CG2 THR A 72 10.358 8.805 7.025 1.00 0.00 C ATOM 0 H THR A 72 9.366 8.456 2.888 1.00 0.00 H new ATOM 0 HA THR A 72 11.652 8.450 4.770 1.00 0.00 H new ATOM 0 HB THR A 72 8.814 8.289 5.653 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.648 10.313 4.863 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.693 9.278 7.747 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.516 7.764 7.305 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.314 9.328 7.016 1.00 0.00 H new ATOM 1137 N ASP A 73 10.983 6.041 5.578 1.00 0.00 N ATOM 1138 CA ASP A 73 10.872 4.587 5.693 1.00 0.00 C ATOM 1139 C ASP A 73 9.520 4.173 6.277 1.00 0.00 C ATOM 1140 O ASP A 73 8.789 4.998 6.826 1.00 0.00 O ATOM 1141 CB ASP A 73 12.006 4.033 6.564 1.00 0.00 C ATOM 1142 CG ASP A 73 13.088 3.338 5.755 1.00 0.00 C ATOM 1143 OD1 ASP A 73 13.294 3.714 4.580 1.00 0.00 O ATOM 1144 OD2 ASP A 73 13.731 2.417 6.299 1.00 0.00 O ATOM 0 H ASP A 73 11.519 6.483 6.324 1.00 0.00 H new ATOM 0 HA ASP A 73 10.951 4.170 4.689 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.452 4.849 7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.592 3.330 7.287 1.00 0.00 H new ATOM 1149 N TRP A 74 9.200 2.884 6.154 1.00 0.00 N ATOM 1150 CA TRP A 74 7.942 2.345 6.670 1.00 0.00 C ATOM 1151 C TRP A 74 8.132 1.774 8.075 1.00 0.00 C ATOM 1152 O TRP A 74 7.285 1.960 8.949 1.00 0.00 O ATOM 1153 CB TRP A 74 7.400 1.258 5.731 1.00 0.00 C ATOM 1154 CG TRP A 74 5.925 1.016 5.867 1.00 0.00 C ATOM 1155 CD1 TRP A 74 5.007 1.844 6.444 1.00 0.00 C ATOM 1156 CD2 TRP A 74 5.199 -0.135 5.414 1.00 0.00 C ATOM 1157 NE1 TRP A 74 3.757 1.282 6.378 1.00 0.00 N ATOM 1158 CE2 TRP A 74 3.848 0.066 5.751 1.00 0.00 C ATOM 1159 CE3 TRP A 74 5.561 -1.316 4.759 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 2.858 -0.868 5.450 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 4.579 -2.241 4.462 1.00 0.00 C ATOM 1162 CH2 TRP A 74 3.241 -2.013 4.809 1.00 0.00 C ATOM 0 H TRP A 74 9.797 2.193 5.700 1.00 0.00 H new ATOM 0 HA TRP A 74 7.220 3.160 6.722 1.00 0.00 H new ATOM 0 HB2 TRP A 74 7.618 1.540 4.701 1.00 0.00 H new ATOM 0 HB3 TRP A 74 7.931 0.326 5.926 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.232 2.802 6.888 1.00 0.00 H new ATOM 0 HE1 TRP A 74 2.899 1.701 6.737 1.00 0.00 H new ATOM 0 HE3 TRP A 74 6.590 -1.502 4.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 1.825 -0.693 5.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 4.847 -3.155 3.954 1.00 0.00 H new ATOM 0 HH2 TRP A 74 2.497 -2.757 4.565 1.00 0.00 H new ATOM 1173 N GLU A 75 9.252 1.078 8.282 1.00 0.00 N ATOM 1174 CA GLU A 75 9.558 0.474 9.581 1.00 0.00 C ATOM 1175 C GLU A 75 10.150 1.498 10.554 1.00 0.00 C ATOM 1176 O GLU A 75 10.004 1.355 11.769 1.00 0.00 O ATOM 1177 CB GLU A 75 10.523 -0.703 9.418 1.00 0.00 C ATOM 1178 CG GLU A 75 10.175 -1.630 8.263 1.00 0.00 C ATOM 1179 CD GLU A 75 10.436 -3.088 8.584 1.00 0.00 C ATOM 1180 OE1 GLU A 75 11.576 -3.550 8.363 1.00 0.00 O ATOM 1181 OE2 GLU A 75 9.502 -3.768 9.056 1.00 0.00 O ATOM 0 H GLU A 75 9.962 0.919 7.567 1.00 0.00 H new ATOM 0 HA GLU A 75 8.618 0.111 9.997 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.531 -0.316 9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.536 -1.280 10.343 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.124 -1.502 8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.757 -1.345 7.386 1.00 0.00 H new ATOM 1188 N LEU A 76 10.815 2.529 10.020 1.00 0.00 N ATOM 1189 CA LEU A 76 11.424 3.574 10.853 1.00 0.00 C ATOM 1190 C LEU A 76 10.400 4.204 11.803 1.00 0.00 C ATOM 1191 O LEU A 76 10.762 4.695 12.874 1.00 0.00 O ATOM 1192 CB LEU A 76 12.051 4.661 9.973 1.00 0.00 C ATOM 1193 CG LEU A 76 13.344 5.280 10.519 1.00 0.00 C ATOM 1194 CD1 LEU A 76 14.327 5.550 9.388 1.00 0.00 C ATOM 1195 CD2 LEU A 76 13.046 6.562 11.289 1.00 0.00 C ATOM 0 H LEU A 76 10.945 2.663 9.017 1.00 0.00 H new ATOM 0 HA LEU A 76 12.201 3.102 11.454 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.257 4.236 8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.319 5.456 9.829 1.00 0.00 H new ATOM 0 HG LEU A 76 13.799 4.568 11.207 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.238 5.989 9.795 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.569 4.614 8.885 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.879 6.241 8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.977 6.984 11.667 1.00 0.00 H new ATOM 0 HD22 LEU A 76 12.565 7.281 10.626 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.383 6.339 12.125 1.00 0.00 H new ATOM 1207 N GLU A 77 9.124 4.189 11.407 1.00 0.00 N ATOM 1208 CA GLU A 77 8.059 4.762 12.231 1.00 0.00 C ATOM 1209 C GLU A 77 6.906 3.768 12.435 1.00 0.00 C ATOM 1210 O GLU A 77 5.761 4.172 12.649 1.00 0.00 O ATOM 1211 CB GLU A 77 7.539 6.062 11.599 1.00 0.00 C ATOM 1212 CG GLU A 77 7.252 5.959 10.104 1.00 0.00 C ATOM 1213 CD GLU A 77 8.060 6.946 9.282 1.00 0.00 C ATOM 1214 OE1 GLU A 77 9.307 6.892 9.345 1.00 0.00 O ATOM 1215 OE2 GLU A 77 7.446 7.774 8.577 1.00 0.00 O ATOM 0 H GLU A 77 8.806 3.788 10.525 1.00 0.00 H new ATOM 0 HA GLU A 77 8.480 4.986 13.211 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.626 6.363 12.113 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.272 6.851 11.763 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.470 4.946 9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.190 6.131 9.930 1.00 0.00 H new ATOM 1222 N GLY A 78 7.216 2.468 12.379 1.00 0.00 N ATOM 1223 CA GLY A 78 6.196 1.446 12.568 1.00 0.00 C ATOM 1224 C GLY A 78 5.525 1.038 11.267 1.00 0.00 C ATOM 1225 O GLY A 78 4.677 1.765 10.752 1.00 0.00 O ATOM 0 H GLY A 78 8.154 2.108 12.206 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.648 0.568 13.029 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.441 1.817 13.261 1.00 0.00 H new ATOM 1229 N GLU A 79 5.911 -0.123 10.731 1.00 0.00 N ATOM 1230 CA GLU A 79 5.340 -0.621 9.475 1.00 0.00 C ATOM 1231 C GLU A 79 3.808 -0.686 9.528 1.00 0.00 C ATOM 1232 O GLU A 79 3.144 -0.448 8.522 1.00 0.00 O ATOM 1233 CB GLU A 79 5.923 -1.993 9.114 1.00 0.00 C ATOM 1234 CG GLU A 79 5.678 -3.075 10.161 1.00 0.00 C ATOM 1235 CD GLU A 79 4.541 -4.015 9.795 1.00 0.00 C ATOM 1236 OE1 GLU A 79 4.444 -4.407 8.613 1.00 0.00 O ATOM 1237 OE2 GLU A 79 3.748 -4.364 10.697 1.00 0.00 O ATOM 0 H GLU A 79 6.614 -0.735 11.145 1.00 0.00 H new ATOM 0 HA GLU A 79 5.613 0.090 8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.495 -2.318 8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.997 -1.889 8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.591 -3.655 10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.456 -2.602 11.118 1.00 0.00 H new ATOM 1244 N LYS A 80 3.253 -0.997 10.700 1.00 0.00 N ATOM 1245 CA LYS A 80 1.801 -1.070 10.866 1.00 0.00 C ATOM 1246 C LYS A 80 1.335 -0.109 11.960 1.00 0.00 C ATOM 1247 O LYS A 80 0.305 0.551 11.814 1.00 0.00 O ATOM 1248 CB LYS A 80 1.365 -2.499 11.199 1.00 0.00 C ATOM 1249 CG LYS A 80 -0.128 -2.636 11.466 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.465 -3.983 12.090 1.00 0.00 C ATOM 1251 CE LYS A 80 -0.504 -3.903 13.609 1.00 0.00 C ATOM 1252 NZ LYS A 80 -0.118 -5.193 14.247 1.00 0.00 N ATOM 0 H LYS A 80 3.785 -1.202 11.546 1.00 0.00 H new ATOM 0 HA LYS A 80 1.338 -0.777 9.924 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.639 -3.155 10.373 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.915 -2.843 12.075 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.454 -1.835 12.130 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.677 -2.520 10.532 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.431 -4.325 11.718 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.275 -4.722 11.783 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.169 -3.116 13.948 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.507 -3.625 13.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.158 -5.094 15.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.775 -5.940 13.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.849 -5.446 13.961 1.00 0.00 H new ATOM 1266 N ASP A 81 2.103 -0.032 13.052 1.00 0.00 N ATOM 1267 CA ASP A 81 1.776 0.852 14.173 1.00 0.00 C ATOM 1268 C ASP A 81 1.605 2.302 13.709 1.00 0.00 C ATOM 1269 O ASP A 81 0.847 3.065 14.310 1.00 0.00 O ATOM 1270 CB ASP A 81 2.866 0.772 15.246 1.00 0.00 C ATOM 1271 CG ASP A 81 2.304 0.784 16.655 1.00 0.00 C ATOM 1272 OD1 ASP A 81 1.594 1.749 17.006 1.00 0.00 O ATOM 1273 OD2 ASP A 81 2.578 -0.173 17.409 1.00 0.00 O ATOM 0 H ASP A 81 2.958 -0.573 13.182 1.00 0.00 H new ATOM 0 HA ASP A 81 0.829 0.518 14.596 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.448 -0.138 15.099 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.551 1.611 15.125 1.00 0.00 H new ATOM 1278 N TYR A 82 2.310 2.675 12.637 1.00 0.00 N ATOM 1279 CA TYR A 82 2.227 4.029 12.096 1.00 0.00 C ATOM 1280 C TYR A 82 0.778 4.401 11.782 1.00 0.00 C ATOM 1281 O TYR A 82 0.127 3.760 10.953 1.00 0.00 O ATOM 1282 CB TYR A 82 3.084 4.157 10.833 1.00 0.00 C ATOM 1283 CG TYR A 82 3.006 5.521 10.177 1.00 0.00 C ATOM 1284 CD1 TYR A 82 3.863 6.547 10.558 1.00 0.00 C ATOM 1285 CD2 TYR A 82 2.073 5.783 9.181 1.00 0.00 C ATOM 1286 CE1 TYR A 82 3.792 7.794 9.965 1.00 0.00 C ATOM 1287 CE2 TYR A 82 1.995 7.026 8.584 1.00 0.00 C ATOM 1288 CZ TYR A 82 2.857 8.028 8.979 1.00 0.00 C ATOM 1289 OH TYR A 82 2.782 9.269 8.386 1.00 0.00 O ATOM 0 H TYR A 82 2.943 2.057 12.129 1.00 0.00 H new ATOM 0 HA TYR A 82 2.607 4.717 12.852 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.123 3.945 11.087 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.771 3.400 10.114 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.596 6.367 11.330 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.397 5.001 8.868 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.465 8.581 10.272 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.263 7.213 7.812 1.00 0.00 H new ATOM 0 HH TYR A 82 2.072 9.267 7.711 1.00 0.00 H new ATOM 1299 N ILE A 83 0.286 5.443 12.447 1.00 0.00 N ATOM 1300 CA ILE A 83 -1.079 5.913 12.242 1.00 0.00 C ATOM 1301 C ILE A 83 -1.177 6.733 10.956 1.00 0.00 C ATOM 1302 O ILE A 83 -0.287 7.530 10.652 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.565 6.770 13.435 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -1.344 6.030 14.761 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -3.034 7.136 13.265 1.00 0.00 C ATOM 1306 CD1 ILE A 83 -0.851 6.923 15.881 1.00 0.00 C ATOM 0 H ILE A 83 0.815 5.979 13.135 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.718 5.033 12.162 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.980 7.690 13.456 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.280 5.562 15.066 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.623 5.228 14.604 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.359 7.739 14.113 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.163 7.705 12.344 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.632 6.226 13.216 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.718 6.331 16.786 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.101 7.371 15.597 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.581 7.710 16.067 1.00 0.00 H new ATOM 1318 N LEU A 84 -2.260 6.534 10.202 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.468 7.256 8.950 1.00 0.00 C ATOM 1320 C LEU A 84 -2.620 8.756 9.203 1.00 0.00 C ATOM 1321 O LEU A 84 -2.646 9.203 10.353 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.702 6.715 8.217 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.494 5.393 7.465 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -4.765 4.988 6.730 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.326 5.500 6.492 1.00 0.00 C ATOM 0 H LEU A 84 -3.005 5.879 10.438 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.591 7.102 8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.504 6.578 8.943 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.041 7.469 7.506 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.258 4.621 8.197 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.597 4.049 6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.576 4.862 7.448 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.033 5.763 6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.198 4.551 5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.528 6.288 5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.415 5.738 7.042 1.00 0.00 H new ATOM 1337 N GLU A 85 -2.717 9.528 8.123 1.00 0.00 N ATOM 1338 CA GLU A 85 -2.859 10.973 8.219 1.00 0.00 C ATOM 1339 C GLU A 85 -3.263 11.563 6.872 1.00 0.00 C ATOM 1340 O GLU A 85 -2.424 11.734 5.984 1.00 0.00 O ATOM 1341 CB GLU A 85 -1.548 11.609 8.687 1.00 0.00 C ATOM 1342 CG GLU A 85 -1.732 12.963 9.353 1.00 0.00 C ATOM 1343 CD GLU A 85 -0.503 13.844 9.229 1.00 0.00 C ATOM 1344 OE1 GLU A 85 0.517 13.536 9.880 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -0.563 14.842 8.480 1.00 0.00 O ATOM 0 H GLU A 85 -2.699 9.171 7.168 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.640 11.189 8.948 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.056 10.933 9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.883 11.722 7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.586 13.471 8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.965 12.817 10.408 1.00 0.00 H new ATOM 1352 N ASP A 86 -4.552 11.865 6.729 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.082 12.439 5.492 1.00 0.00 C ATOM 1354 C ASP A 86 -4.169 13.548 4.971 1.00 0.00 C ATOM 1355 O ASP A 86 -4.014 14.592 5.610 1.00 0.00 O ATOM 1356 CB ASP A 86 -6.493 12.994 5.715 1.00 0.00 C ATOM 1357 CG ASP A 86 -7.321 13.040 4.440 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -6.733 13.143 3.342 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -8.563 12.968 4.541 1.00 0.00 O ATOM 0 H ASP A 86 -5.252 11.721 7.457 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.127 11.643 4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.007 12.379 6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.421 13.999 6.131 1.00 0.00 H new ATOM 1364 N GLY A 87 -3.564 13.305 3.808 1.00 0.00 N ATOM 1365 CA GLY A 87 -2.665 14.278 3.209 1.00 0.00 C ATOM 1366 C GLY A 87 -1.220 13.796 3.148 1.00 0.00 C ATOM 1367 O GLY A 87 -0.301 14.603 2.999 1.00 0.00 O ATOM 0 H GLY A 87 -3.682 12.447 3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.008 14.509 2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.709 15.205 3.780 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.020 12.480 3.260 1.00 0.00 N ATOM 1372 CA ASP A 88 0.318 11.894 3.215 1.00 0.00 C ATOM 1373 C ASP A 88 0.506 11.058 1.951 1.00 0.00 C ATOM 1374 O ASP A 88 -0.422 10.911 1.151 1.00 0.00 O ATOM 1375 CB ASP A 88 0.551 11.029 4.455 1.00 0.00 C ATOM 1376 CG ASP A 88 1.224 11.795 5.577 1.00 0.00 C ATOM 1377 OD1 ASP A 88 0.572 12.685 6.162 1.00 0.00 O ATOM 1378 OD2 ASP A 88 2.403 11.505 5.870 1.00 0.00 O ATOM 0 H ASP A 88 -1.771 11.801 3.383 1.00 0.00 H new ATOM 0 HA ASP A 88 1.047 12.704 3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.404 10.639 4.807 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.166 10.170 4.185 1.00 0.00 H new ATOM 1383 N ILE A 89 1.711 10.512 1.774 1.00 0.00 N ATOM 1384 CA ILE A 89 2.015 9.694 0.602 1.00 0.00 C ATOM 1385 C ILE A 89 2.617 8.344 0.995 1.00 0.00 C ATOM 1386 O ILE A 89 3.293 8.225 2.019 1.00 0.00 O ATOM 1387 CB ILE A 89 2.983 10.417 -0.359 1.00 0.00 C ATOM 1388 CG1 ILE A 89 2.447 11.807 -0.709 1.00 0.00 C ATOM 1389 CG2 ILE A 89 3.194 9.595 -1.627 1.00 0.00 C ATOM 1390 CD1 ILE A 89 3.294 12.536 -1.725 1.00 0.00 C ATOM 0 H ILE A 89 2.488 10.622 2.425 1.00 0.00 H new ATOM 0 HA ILE A 89 1.067 9.524 0.092 1.00 0.00 H new ATOM 0 HB ILE A 89 3.944 10.530 0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.432 11.711 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.387 12.405 0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.879 10.121 -2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.616 8.624 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.238 9.451 -2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.858 13.514 -1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.303 12.663 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.333 11.958 -2.648 1.00 0.00 H new ATOM 1402 N ILE A 90 2.369 7.336 0.159 1.00 0.00 N ATOM 1403 CA ILE A 90 2.881 5.983 0.390 1.00 0.00 C ATOM 1404 C ILE A 90 3.289 5.324 -0.931 1.00 0.00 C ATOM 1405 O ILE A 90 2.443 4.834 -1.680 1.00 0.00 O ATOM 1406 CB ILE A 90 1.836 5.090 1.105 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.475 5.667 2.478 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.356 3.663 1.245 1.00 0.00 C ATOM 1409 CD1 ILE A 90 0.328 6.655 2.437 1.00 0.00 C ATOM 0 H ILE A 90 1.813 7.431 -0.691 1.00 0.00 H new ATOM 0 HA ILE A 90 3.755 6.079 1.034 1.00 0.00 H new ATOM 0 HB ILE A 90 0.933 5.070 0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.215 4.849 3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.352 6.159 2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.608 3.051 1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.556 3.250 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.276 3.667 1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.128 7.022 3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.592 7.492 1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.563 6.163 2.047 1.00 0.00 H new ATOM 1421 N SER A 91 4.590 5.326 -1.215 1.00 0.00 N ATOM 1422 CA SER A 91 5.108 4.740 -2.451 1.00 0.00 C ATOM 1423 C SER A 91 5.224 3.218 -2.350 1.00 0.00 C ATOM 1424 O SER A 91 5.580 2.681 -1.299 1.00 0.00 O ATOM 1425 CB SER A 91 6.474 5.341 -2.795 1.00 0.00 C ATOM 1426 OG SER A 91 6.684 6.572 -2.121 1.00 0.00 O ATOM 0 H SER A 91 5.305 5.726 -0.607 1.00 0.00 H new ATOM 0 HA SER A 91 4.398 4.973 -3.245 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.261 4.637 -2.524 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.543 5.498 -3.871 1.00 0.00 H new ATOM 0 HG SER A 91 7.565 6.930 -2.360 1.00 0.00 H new ATOM 1432 N PHE A 92 4.931 2.534 -3.457 1.00 0.00 N ATOM 1433 CA PHE A 92 5.010 1.074 -3.516 1.00 0.00 C ATOM 1434 C PHE A 92 5.681 0.630 -4.816 1.00 0.00 C ATOM 1435 O PHE A 92 5.008 0.301 -5.796 1.00 0.00 O ATOM 1436 CB PHE A 92 3.611 0.455 -3.409 1.00 0.00 C ATOM 1437 CG PHE A 92 3.168 0.201 -1.996 1.00 0.00 C ATOM 1438 CD1 PHE A 92 3.821 -0.732 -1.208 1.00 0.00 C ATOM 1439 CD2 PHE A 92 2.096 0.895 -1.460 1.00 0.00 C ATOM 1440 CE1 PHE A 92 3.413 -0.968 0.091 1.00 0.00 C ATOM 1441 CE2 PHE A 92 1.683 0.663 -0.162 1.00 0.00 C ATOM 1442 CZ PHE A 92 2.342 -0.269 0.614 1.00 0.00 C ATOM 0 H PHE A 92 4.635 2.971 -4.330 1.00 0.00 H new ATOM 0 HA PHE A 92 5.610 0.729 -2.674 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.893 1.118 -3.892 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.597 -0.486 -3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.658 -1.281 -1.613 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.577 1.625 -2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.930 -1.698 0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.846 1.210 0.245 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.021 -0.452 1.629 1.00 0.00 H new ATOM 1452 N THR A 93 7.013 0.636 -4.823 1.00 0.00 N ATOM 1453 CA THR A 93 7.777 0.248 -6.009 1.00 0.00 C ATOM 1454 C THR A 93 8.165 -1.230 -5.972 1.00 0.00 C ATOM 1455 O THR A 93 8.365 -1.806 -4.901 1.00 0.00 O ATOM 1456 CB THR A 93 9.043 1.103 -6.134 1.00 0.00 C ATOM 1457 OG1 THR A 93 8.769 2.462 -5.839 1.00 0.00 O ATOM 1458 CG2 THR A 93 9.667 1.046 -7.515 1.00 0.00 C ATOM 0 H THR A 93 7.585 0.905 -4.023 1.00 0.00 H new ATOM 0 HA THR A 93 7.136 0.413 -6.875 1.00 0.00 H new ATOM 0 HB THR A 93 9.746 0.682 -5.415 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.592 2.987 -5.924 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.559 1.672 -7.537 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.940 0.017 -7.749 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.951 1.408 -8.253 1.00 0.00 H new ATOM 1466 N SER A 94 8.283 -1.832 -7.157 1.00 0.00 N ATOM 1467 CA SER A 94 8.662 -3.238 -7.279 1.00 0.00 C ATOM 1468 C SER A 94 9.736 -3.414 -8.352 1.00 0.00 C ATOM 1469 O SER A 94 9.430 -3.452 -9.546 1.00 0.00 O ATOM 1470 CB SER A 94 7.440 -4.096 -7.620 1.00 0.00 C ATOM 1471 OG SER A 94 6.394 -3.901 -6.682 1.00 0.00 O ATOM 0 H SER A 94 8.120 -1.364 -8.049 1.00 0.00 H new ATOM 0 HA SER A 94 9.066 -3.565 -6.321 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.086 -3.846 -8.620 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.725 -5.148 -7.636 1.00 0.00 H new ATOM 0 HG SER A 94 5.694 -4.570 -6.829 1.00 0.00 H new ATOM 1477 N THR A 95 10.993 -3.517 -7.921 1.00 0.00 N ATOM 1478 CA THR A 95 12.111 -3.687 -8.850 1.00 0.00 C ATOM 1479 C THR A 95 12.199 -5.133 -9.340 1.00 0.00 C ATOM 1480 O THR A 95 12.256 -5.379 -10.546 1.00 0.00 O ATOM 1481 CB THR A 95 13.431 -3.262 -8.188 1.00 0.00 C ATOM 1482 OG1 THR A 95 13.734 -4.091 -7.080 1.00 0.00 O ATOM 1483 CG2 THR A 95 13.416 -1.829 -7.696 1.00 0.00 C ATOM 0 H THR A 95 11.263 -3.486 -6.938 1.00 0.00 H new ATOM 0 HA THR A 95 11.934 -3.046 -9.714 1.00 0.00 H new ATOM 0 HB THR A 95 14.186 -3.359 -8.968 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.579 -3.802 -6.677 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.377 -1.591 -7.239 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.238 -1.158 -8.536 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.623 -1.706 -6.958 1.00 0.00 H new