USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 732 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 86 THR OG1 : rot -97:sc= 0.208 USER MOD Set 1.2: A 91 GLN : amide:sc= -1.59 K(o=-1.4,f=-5.5!) USER MOD Single : A 11 HIS : no HD1:sc= -0.682 K(o=-0.68,f=-1.3) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= -0.341 (180deg=-1.5!) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 148:sc= -0.19 (180deg=-1.31!) USER MOD Single : A 31 CYS SG : rot 3:sc= 0.645 USER MOD Single : A 32 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.25) USER MOD Single : A 34 SER OG : rot 180:sc= -0.044 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -1.99! K(o=-2!,f=-0.047) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= -0.0198 (180deg=-0.218) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0318 X(o=-0.032,f=-0.04) USER MOD Single : A 57 LYS NZ :NH3+ 143:sc= -1.1 (180deg=-3.36!) USER MOD Single : A 58 MET CE :methyl -176:sc= -0.0365 (180deg=-0.113) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -4.71! C(o=-4.7!,f=-2.4!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.085 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.643 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 156:sc= 0.236 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 3:sc= -5.29! USER MOD Single : A 87 ASN : amide:sc= -0.483 K(o=-0.48,f=-4.9!) USER MOD Single : A 92 ASN : amide:sc= -0.514 K(o=-0.51,f=-3!) USER MOD Single : A 93 SER OG : rot 76:sc= 0.912 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 3.398 25.354 1.926 1.00 0.00 N ATOM 60 CA GLY A 7 3.191 24.018 1.397 1.00 0.00 C ATOM 61 C GLY A 7 4.468 23.201 1.369 1.00 0.00 C ATOM 62 O GLY A 7 5.566 23.755 1.326 1.00 0.00 O ATOM 0 HA2 GLY A 7 2.446 23.502 2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.787 24.089 0.387 1.00 0.00 H new ATOM 66 N PHE A 8 4.324 21.881 1.396 1.00 0.00 N ATOM 67 CA PHE A 8 5.475 20.986 1.376 1.00 0.00 C ATOM 68 C PHE A 8 5.331 19.938 0.276 1.00 0.00 C ATOM 69 O PHE A 8 4.274 19.325 0.123 1.00 0.00 O ATOM 70 CB PHE A 8 5.637 20.298 2.733 1.00 0.00 C ATOM 71 CG PHE A 8 5.281 21.178 3.897 1.00 0.00 C ATOM 72 CD1 PHE A 8 6.098 22.238 4.256 1.00 0.00 C ATOM 73 CD2 PHE A 8 4.130 20.945 4.632 1.00 0.00 C ATOM 74 CE1 PHE A 8 5.774 23.049 5.327 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.800 21.753 5.705 1.00 0.00 C ATOM 76 CZ PHE A 8 4.623 22.806 6.052 1.00 0.00 C ATOM 0 H PHE A 8 3.422 21.407 1.432 1.00 0.00 H new ATOM 0 HA PHE A 8 6.364 21.583 1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.010 19.407 2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.669 19.965 2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.998 22.433 3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.483 20.123 4.364 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.420 23.872 5.597 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.900 21.561 6.270 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.367 23.439 6.889 1.00 0.00 H new ATOM 86 N ARG A 9 6.400 19.739 -0.487 1.00 0.00 N ATOM 87 CA ARG A 9 6.393 18.767 -1.574 1.00 0.00 C ATOM 88 C ARG A 9 6.041 17.376 -1.057 1.00 0.00 C ATOM 89 O ARG A 9 6.474 16.958 0.017 1.00 0.00 O ATOM 90 CB ARG A 9 7.756 18.736 -2.268 1.00 0.00 C ATOM 91 CG ARG A 9 7.811 17.796 -3.461 1.00 0.00 C ATOM 92 CD ARG A 9 9.243 17.548 -3.910 1.00 0.00 C ATOM 93 NE ARG A 9 9.759 18.645 -4.723 1.00 0.00 N ATOM 94 CZ ARG A 9 11.007 18.700 -5.177 1.00 0.00 C ATOM 95 NH1 ARG A 9 11.860 17.724 -4.899 1.00 0.00 N ATOM 96 NH2 ARG A 9 11.402 19.732 -5.912 1.00 0.00 N ATOM 0 H ARG A 9 7.282 20.238 -0.373 1.00 0.00 H new ATOM 0 HA ARG A 9 5.633 19.071 -2.294 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.009 19.744 -2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.515 18.437 -1.545 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.341 16.848 -3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.238 18.220 -4.286 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.879 17.415 -3.035 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.288 16.621 -4.481 1.00 0.00 H new ATOM 0 HE ARG A 9 9.127 19.411 -4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.559 16.929 -4.336 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.817 17.768 -5.248 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.748 20.484 -6.129 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.360 19.773 -6.260 1.00 0.00 H new ATOM 110 N PRO A 10 5.236 16.640 -1.838 1.00 0.00 N ATOM 111 CA PRO A 10 4.808 15.285 -1.480 1.00 0.00 C ATOM 112 C PRO A 10 5.953 14.279 -1.545 1.00 0.00 C ATOM 113 O PRO A 10 6.451 13.960 -2.624 1.00 0.00 O ATOM 114 CB PRO A 10 3.748 14.957 -2.535 1.00 0.00 C ATOM 115 CG PRO A 10 4.099 15.812 -3.703 1.00 0.00 C ATOM 116 CD PRO A 10 4.683 17.075 -3.132 1.00 0.00 C ATOM 0 HA PRO A 10 4.440 15.231 -0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.766 13.900 -2.799 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.745 15.178 -2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.816 15.310 -4.353 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.218 16.028 -4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.455 17.490 -3.780 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.924 17.847 -3.006 1.00 0.00 H new ATOM 124 N HIS A 11 6.365 13.783 -0.382 1.00 0.00 N ATOM 125 CA HIS A 11 7.450 12.812 -0.307 1.00 0.00 C ATOM 126 C HIS A 11 7.176 11.772 0.775 1.00 0.00 C ATOM 127 O HIS A 11 6.863 12.116 1.915 1.00 0.00 O ATOM 128 CB HIS A 11 8.777 13.519 -0.027 1.00 0.00 C ATOM 129 CG HIS A 11 9.794 12.643 0.635 1.00 0.00 C ATOM 130 ND1 HIS A 11 10.131 11.391 0.165 1.00 0.00 N ATOM 131 CD2 HIS A 11 10.553 12.845 1.738 1.00 0.00 C ATOM 132 CE1 HIS A 11 11.050 10.860 0.951 1.00 0.00 C ATOM 133 NE2 HIS A 11 11.324 11.722 1.913 1.00 0.00 N ATOM 0 H HIS A 11 5.964 14.038 0.520 1.00 0.00 H new ATOM 0 HA HIS A 11 7.514 12.302 -1.268 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.186 13.891 -0.966 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.590 14.387 0.605 1.00 0.00 H new ATOM 0 HD2 HIS A 11 10.552 13.725 2.364 1.00 0.00 H new ATOM 0 HE1 HIS A 11 11.501 9.886 0.828 1.00 0.00 H new ATOM 0 HE2 HIS A 11 11.999 11.577 2.664 1.00 0.00 H new ATOM 141 N PHE A 12 7.294 10.500 0.410 1.00 0.00 N ATOM 142 CA PHE A 12 7.057 9.410 1.350 1.00 0.00 C ATOM 143 C PHE A 12 8.227 9.264 2.320 1.00 0.00 C ATOM 144 O PHE A 12 9.295 8.773 1.953 1.00 0.00 O ATOM 145 CB PHE A 12 6.838 8.097 0.596 1.00 0.00 C ATOM 146 CG PHE A 12 5.623 8.108 -0.287 1.00 0.00 C ATOM 147 CD1 PHE A 12 4.374 7.801 0.228 1.00 0.00 C ATOM 148 CD2 PHE A 12 5.731 8.425 -1.632 1.00 0.00 C ATOM 149 CE1 PHE A 12 3.254 7.811 -0.582 1.00 0.00 C ATOM 150 CE2 PHE A 12 4.614 8.436 -2.446 1.00 0.00 C ATOM 151 CZ PHE A 12 3.374 8.128 -1.921 1.00 0.00 C ATOM 0 H PHE A 12 7.552 10.198 -0.530 1.00 0.00 H new ATOM 0 HA PHE A 12 6.160 9.646 1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.717 7.886 -0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.746 7.284 1.317 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.274 7.551 1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.698 8.666 -2.048 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.286 7.571 -0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.711 8.685 -3.492 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.500 8.135 -2.556 1.00 0.00 H new ATOM 161 N LEU A 13 8.017 9.695 3.559 1.00 0.00 N ATOM 162 CA LEU A 13 9.053 9.613 4.583 1.00 0.00 C ATOM 163 C LEU A 13 9.402 8.160 4.889 1.00 0.00 C ATOM 164 O LEU A 13 10.575 7.791 4.934 1.00 0.00 O ATOM 165 CB LEU A 13 8.592 10.319 5.859 1.00 0.00 C ATOM 166 CG LEU A 13 8.552 11.846 5.804 1.00 0.00 C ATOM 167 CD1 LEU A 13 7.771 12.403 6.984 1.00 0.00 C ATOM 168 CD2 LEU A 13 9.962 12.417 5.779 1.00 0.00 C ATOM 0 H LEU A 13 7.139 10.105 3.879 1.00 0.00 H new ATOM 0 HA LEU A 13 9.946 10.109 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.594 9.958 6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.253 10.022 6.674 1.00 0.00 H new ATOM 0 HG LEU A 13 8.045 12.143 4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.754 13.491 6.928 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.750 12.022 6.957 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.249 12.096 7.914 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.913 13.505 5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.495 12.110 6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.489 12.046 4.900 1.00 0.00 H new ATOM 180 N GLN A 14 8.376 7.341 5.097 1.00 0.00 N ATOM 181 CA GLN A 14 8.575 5.928 5.397 1.00 0.00 C ATOM 182 C GLN A 14 7.856 5.049 4.380 1.00 0.00 C ATOM 183 O GLN A 14 6.629 5.063 4.290 1.00 0.00 O ATOM 184 CB GLN A 14 8.076 5.610 6.808 1.00 0.00 C ATOM 185 CG GLN A 14 8.493 4.235 7.305 1.00 0.00 C ATOM 186 CD GLN A 14 8.560 4.157 8.817 1.00 0.00 C ATOM 187 OE1 GLN A 14 7.797 4.821 9.519 1.00 0.00 O ATOM 188 NE2 GLN A 14 9.476 3.342 9.328 1.00 0.00 N ATOM 0 H GLN A 14 7.399 7.632 5.063 1.00 0.00 H new ATOM 0 HA GLN A 14 9.643 5.717 5.341 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.453 6.366 7.497 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.988 5.679 6.824 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.787 3.490 6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.468 3.983 6.888 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.088 2.810 8.709 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.568 3.248 10.340 1.00 0.00 H new ATOM 197 N ALA A 15 8.629 4.284 3.616 1.00 0.00 N ATOM 198 CA ALA A 15 8.066 3.397 2.606 1.00 0.00 C ATOM 199 C ALA A 15 8.548 1.964 2.803 1.00 0.00 C ATOM 200 O ALA A 15 9.687 1.715 3.198 1.00 0.00 O ATOM 201 CB ALA A 15 8.425 3.889 1.211 1.00 0.00 C ATOM 0 H ALA A 15 9.647 4.261 3.678 1.00 0.00 H new ATOM 0 HA ALA A 15 6.981 3.406 2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.998 3.217 0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.026 4.893 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.509 3.910 1.101 1.00 0.00 H new ATOM 207 N PRO A 16 7.662 0.996 2.524 1.00 0.00 N ATOM 208 CA PRO A 16 7.975 -0.429 2.664 1.00 0.00 C ATOM 209 C PRO A 16 8.976 -0.908 1.618 1.00 0.00 C ATOM 210 O PRO A 16 9.455 -0.125 0.799 1.00 0.00 O ATOM 211 CB PRO A 16 6.620 -1.112 2.460 1.00 0.00 C ATOM 212 CG PRO A 16 5.834 -0.154 1.634 1.00 0.00 C ATOM 213 CD PRO A 16 6.286 1.219 2.049 1.00 0.00 C ATOM 0 HA PRO A 16 8.439 -0.652 3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.732 -2.071 1.955 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.129 -1.309 3.413 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.011 -0.318 0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.764 -0.280 1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.257 1.921 1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.652 1.631 2.834 1.00 0.00 H new ATOM 221 N GLY A 17 9.287 -2.200 1.651 1.00 0.00 N ATOM 222 CA GLY A 17 10.229 -2.761 0.700 1.00 0.00 C ATOM 223 C GLY A 17 9.817 -4.138 0.219 1.00 0.00 C ATOM 224 O GLY A 17 8.651 -4.367 -0.102 1.00 0.00 O ATOM 0 H GLY A 17 8.903 -2.868 2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.318 -2.092 -0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.215 -2.821 1.162 1.00 0.00 H new ATOM 228 N ASP A 18 10.775 -5.056 0.167 1.00 0.00 N ATOM 229 CA ASP A 18 10.506 -6.418 -0.280 1.00 0.00 C ATOM 230 C ASP A 18 9.989 -7.275 0.872 1.00 0.00 C ATOM 231 O ASP A 18 10.741 -7.636 1.778 1.00 0.00 O ATOM 232 CB ASP A 18 11.771 -7.044 -0.870 1.00 0.00 C ATOM 233 CG ASP A 18 12.271 -6.297 -2.090 1.00 0.00 C ATOM 234 OD1 ASP A 18 12.851 -5.204 -1.921 1.00 0.00 O ATOM 235 OD2 ASP A 18 12.081 -6.805 -3.216 1.00 0.00 O ATOM 0 H ASP A 18 11.745 -4.882 0.429 1.00 0.00 H new ATOM 0 HA ASP A 18 9.738 -6.376 -1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.553 -7.059 -0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.568 -8.080 -1.140 1.00 0.00 H new ATOM 240 N LEU A 19 8.701 -7.597 0.831 1.00 0.00 N ATOM 241 CA LEU A 19 8.082 -8.412 1.871 1.00 0.00 C ATOM 242 C LEU A 19 7.722 -9.795 1.338 1.00 0.00 C ATOM 243 O LEU A 19 7.604 -9.995 0.128 1.00 0.00 O ATOM 244 CB LEU A 19 6.830 -7.719 2.412 1.00 0.00 C ATOM 245 CG LEU A 19 7.050 -6.742 3.567 1.00 0.00 C ATOM 246 CD1 LEU A 19 7.661 -5.444 3.060 1.00 0.00 C ATOM 247 CD2 LEU A 19 5.740 -6.469 4.292 1.00 0.00 C ATOM 0 H LEU A 19 8.065 -7.306 0.089 1.00 0.00 H new ATOM 0 HA LEU A 19 8.802 -8.532 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.354 -7.180 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.128 -8.485 2.740 1.00 0.00 H new ATOM 0 HG LEU A 19 7.745 -7.196 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.810 -4.761 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.620 -5.654 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.991 -4.986 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.916 -5.772 5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.022 -6.037 3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.343 -7.403 4.690 1.00 0.00 H new ATOM 259 N THR A 20 7.545 -10.747 2.249 1.00 0.00 N ATOM 260 CA THR A 20 7.197 -12.111 1.871 1.00 0.00 C ATOM 261 C THR A 20 6.084 -12.659 2.757 1.00 0.00 C ATOM 262 O THR A 20 6.225 -12.726 3.978 1.00 0.00 O ATOM 263 CB THR A 20 8.417 -13.047 1.959 1.00 0.00 C ATOM 264 OG1 THR A 20 9.593 -12.363 1.513 1.00 0.00 O ATOM 265 CG2 THR A 20 8.202 -14.296 1.118 1.00 0.00 C ATOM 0 H THR A 20 7.637 -10.598 3.254 1.00 0.00 H new ATOM 0 HA THR A 20 6.851 -12.075 0.838 1.00 0.00 H new ATOM 0 HB THR A 20 8.544 -13.345 3.000 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.364 -12.965 1.574 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.077 -14.942 1.196 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.323 -14.830 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.052 -14.012 0.076 1.00 0.00 H new ATOM 273 N VAL A 21 4.978 -13.053 2.134 1.00 0.00 N ATOM 274 CA VAL A 21 3.841 -13.598 2.866 1.00 0.00 C ATOM 275 C VAL A 21 3.274 -14.827 2.165 1.00 0.00 C ATOM 276 O VAL A 21 3.325 -14.933 0.940 1.00 0.00 O ATOM 277 CB VAL A 21 2.723 -12.551 3.028 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.478 -13.187 3.628 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.202 -11.388 3.883 1.00 0.00 C ATOM 0 H VAL A 21 4.845 -13.005 1.124 1.00 0.00 H new ATOM 0 HA VAL A 21 4.207 -13.883 3.852 1.00 0.00 H new ATOM 0 HB VAL A 21 2.465 -12.165 2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.699 -12.432 3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.124 -13.983 2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.717 -13.602 4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.399 -10.658 3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.489 -11.755 4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.062 -10.917 3.407 1.00 0.00 H new ATOM 289 N GLN A 22 2.734 -15.754 2.951 1.00 0.00 N ATOM 290 CA GLN A 22 2.157 -16.976 2.404 1.00 0.00 C ATOM 291 C GLN A 22 0.709 -16.753 1.982 1.00 0.00 C ATOM 292 O GLN A 22 0.026 -15.879 2.513 1.00 0.00 O ATOM 293 CB GLN A 22 2.233 -18.105 3.434 1.00 0.00 C ATOM 294 CG GLN A 22 2.265 -19.493 2.814 1.00 0.00 C ATOM 295 CD GLN A 22 2.078 -20.594 3.839 1.00 0.00 C ATOM 296 OE1 GLN A 22 0.958 -21.037 4.094 1.00 0.00 O ATOM 297 NE2 GLN A 22 3.178 -21.043 4.432 1.00 0.00 N ATOM 0 H GLN A 22 2.684 -15.682 3.967 1.00 0.00 H new ATOM 0 HA GLN A 22 2.733 -17.258 1.523 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.125 -17.969 4.045 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.375 -18.034 4.102 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.482 -19.568 2.059 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.216 -19.636 2.302 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.086 -20.647 4.190 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.115 -21.784 5.130 1.00 0.00 H new ATOM 306 N GLU A 23 0.248 -17.550 1.022 1.00 0.00 N ATOM 307 CA GLU A 23 -1.119 -17.438 0.528 1.00 0.00 C ATOM 308 C GLU A 23 -2.124 -17.748 1.634 1.00 0.00 C ATOM 309 O GLU A 23 -2.082 -18.814 2.245 1.00 0.00 O ATOM 310 CB GLU A 23 -1.337 -18.384 -0.654 1.00 0.00 C ATOM 311 CG GLU A 23 -2.396 -17.903 -1.632 1.00 0.00 C ATOM 312 CD GLU A 23 -3.006 -19.035 -2.435 1.00 0.00 C ATOM 313 OE1 GLU A 23 -3.252 -20.111 -1.853 1.00 0.00 O ATOM 314 OE2 GLU A 23 -3.237 -18.844 -3.648 1.00 0.00 O ATOM 0 H GLU A 23 0.801 -18.279 0.572 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.275 -16.412 0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.394 -18.510 -1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.623 -19.365 -0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.184 -17.386 -1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.953 -17.177 -2.313 1.00 0.00 H new ATOM 321 N GLY A 24 -3.028 -16.806 1.885 1.00 0.00 N ATOM 322 CA GLY A 24 -4.031 -16.996 2.917 1.00 0.00 C ATOM 323 C GLY A 24 -3.625 -16.380 4.241 1.00 0.00 C ATOM 324 O GLY A 24 -4.292 -16.576 5.257 1.00 0.00 O ATOM 0 H GLY A 24 -3.084 -15.915 1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.973 -16.556 2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.208 -18.063 3.055 1.00 0.00 H new ATOM 328 N LYS A 25 -2.526 -15.633 4.232 1.00 0.00 N ATOM 329 CA LYS A 25 -2.030 -14.986 5.440 1.00 0.00 C ATOM 330 C LYS A 25 -2.347 -13.494 5.428 1.00 0.00 C ATOM 331 O LYS A 25 -2.845 -12.963 4.434 1.00 0.00 O ATOM 332 CB LYS A 25 -0.520 -15.196 5.573 1.00 0.00 C ATOM 333 CG LYS A 25 -0.132 -16.625 5.911 1.00 0.00 C ATOM 334 CD LYS A 25 -0.516 -16.984 7.337 1.00 0.00 C ATOM 335 CE LYS A 25 0.605 -16.666 8.314 1.00 0.00 C ATOM 336 NZ LYS A 25 0.651 -15.216 8.652 1.00 0.00 N ATOM 0 H LYS A 25 -1.962 -15.461 3.400 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.531 -15.439 6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.038 -14.909 4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.136 -14.531 6.347 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.621 -17.310 5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.943 -16.752 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.414 -16.436 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.759 -18.045 7.393 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.468 -17.247 9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.559 -16.969 7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.036 -15.095 9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.259 -14.720 7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.310 -14.820 8.612 1.00 0.00 H new ATOM 350 N LEU A 26 -2.054 -12.822 6.536 1.00 0.00 N ATOM 351 CA LEU A 26 -2.307 -11.390 6.652 1.00 0.00 C ATOM 352 C LEU A 26 -1.122 -10.584 6.131 1.00 0.00 C ATOM 353 O LEU A 26 0.015 -10.787 6.558 1.00 0.00 O ATOM 354 CB LEU A 26 -2.590 -11.019 8.109 1.00 0.00 C ATOM 355 CG LEU A 26 -2.925 -9.550 8.374 1.00 0.00 C ATOM 356 CD1 LEU A 26 -1.656 -8.753 8.635 1.00 0.00 C ATOM 357 CD2 LEU A 26 -3.697 -8.960 7.204 1.00 0.00 C ATOM 0 H LEU A 26 -1.641 -13.246 7.367 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.181 -11.150 6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.420 -11.630 8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.719 -11.286 8.707 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.554 -9.494 9.263 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.913 -7.710 8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.142 -9.161 9.505 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.002 -8.815 7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.927 -7.915 7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.093 -9.027 6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.625 -9.515 7.064 1.00 0.00 H new ATOM 369 N CYS A 27 -1.396 -9.669 5.208 1.00 0.00 N ATOM 370 CA CYS A 27 -0.352 -8.830 4.630 1.00 0.00 C ATOM 371 C CYS A 27 -0.705 -7.352 4.763 1.00 0.00 C ATOM 372 O CYS A 27 -1.520 -6.827 4.004 1.00 0.00 O ATOM 373 CB CYS A 27 -0.142 -9.185 3.157 1.00 0.00 C ATOM 374 SG CYS A 27 0.970 -8.062 2.278 1.00 0.00 S ATOM 0 H CYS A 27 -2.332 -9.489 4.844 1.00 0.00 H new ATOM 0 HA CYS A 27 0.572 -9.015 5.177 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.256 -10.198 3.092 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.109 -9.189 2.654 1.00 0.00 H new ATOM 0 HG CYS A 27 1.086 -8.446 1.041 1.00 0.00 H new ATOM 380 N ARG A 28 -0.088 -6.687 5.735 1.00 0.00 N ATOM 381 CA ARG A 28 -0.339 -5.271 5.970 1.00 0.00 C ATOM 382 C ARG A 28 0.828 -4.422 5.475 1.00 0.00 C ATOM 383 O ARG A 28 1.960 -4.896 5.388 1.00 0.00 O ATOM 384 CB ARG A 28 -0.576 -5.013 7.459 1.00 0.00 C ATOM 385 CG ARG A 28 0.628 -5.334 8.331 1.00 0.00 C ATOM 386 CD ARG A 28 0.207 -5.718 9.741 1.00 0.00 C ATOM 387 NE ARG A 28 1.327 -6.234 10.524 1.00 0.00 N ATOM 388 CZ ARG A 28 1.924 -7.395 10.277 1.00 0.00 C ATOM 389 NH1 ARG A 28 1.511 -8.155 9.272 1.00 0.00 N ATOM 390 NH2 ARG A 28 2.936 -7.796 11.034 1.00 0.00 N ATOM 0 H ARG A 28 0.589 -7.107 6.372 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.233 -4.989 5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.847 -3.967 7.599 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.425 -5.610 7.792 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.195 -6.151 7.884 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.291 -4.470 8.371 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.216 -4.848 10.243 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.579 -6.471 9.692 1.00 0.00 H new ATOM 0 HE ARG A 28 1.670 -5.672 11.303 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.734 -7.849 8.687 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.971 -9.046 9.084 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.257 -7.213 11.807 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.393 -8.688 10.843 1.00 0.00 H new ATOM 404 N MET A 29 0.543 -3.165 5.151 1.00 0.00 N ATOM 405 CA MET A 29 1.570 -2.250 4.665 1.00 0.00 C ATOM 406 C MET A 29 1.395 -0.863 5.275 1.00 0.00 C ATOM 407 O MET A 29 0.273 -0.422 5.526 1.00 0.00 O ATOM 408 CB MET A 29 1.521 -2.159 3.139 1.00 0.00 C ATOM 409 CG MET A 29 1.829 -3.474 2.441 1.00 0.00 C ATOM 410 SD MET A 29 2.406 -3.244 0.749 1.00 0.00 S ATOM 411 CE MET A 29 1.000 -3.858 -0.175 1.00 0.00 C ATOM 0 H MET A 29 -0.390 -2.757 5.216 1.00 0.00 H new ATOM 0 HA MET A 29 2.542 -2.640 4.967 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.531 -1.819 2.835 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.233 -1.404 2.805 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.587 -4.013 3.009 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.934 -4.096 2.434 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.915 -3.312 -1.114 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.137 -4.919 -0.383 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.091 -3.717 0.410 1.00 0.00 H new ATOM 421 N ASP A 30 2.509 -0.180 5.511 1.00 0.00 N ATOM 422 CA ASP A 30 2.478 1.158 6.090 1.00 0.00 C ATOM 423 C ASP A 30 3.256 2.144 5.224 1.00 0.00 C ATOM 424 O ASP A 30 4.381 1.865 4.807 1.00 0.00 O ATOM 425 CB ASP A 30 3.056 1.137 7.506 1.00 0.00 C ATOM 426 CG ASP A 30 4.356 0.360 7.590 1.00 0.00 C ATOM 427 OD1 ASP A 30 5.233 0.578 6.728 1.00 0.00 O ATOM 428 OD2 ASP A 30 4.495 -0.466 8.516 1.00 0.00 O ATOM 0 H ASP A 30 3.446 -0.531 5.310 1.00 0.00 H new ATOM 0 HA ASP A 30 1.439 1.484 6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.225 2.160 7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.328 0.695 8.186 1.00 0.00 H new ATOM 433 N CYS A 31 2.650 3.295 4.958 1.00 0.00 N ATOM 434 CA CYS A 31 3.286 4.322 4.139 1.00 0.00 C ATOM 435 C CYS A 31 2.857 5.716 4.586 1.00 0.00 C ATOM 436 O CYS A 31 1.665 6.004 4.699 1.00 0.00 O ATOM 437 CB CYS A 31 2.937 4.116 2.664 1.00 0.00 C ATOM 438 SG CYS A 31 1.184 4.340 2.282 1.00 0.00 S ATOM 0 H CYS A 31 1.720 3.541 5.297 1.00 0.00 H new ATOM 0 HA CYS A 31 4.365 4.236 4.265 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.521 4.813 2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.237 3.111 2.368 1.00 0.00 H new ATOM 0 HG CYS A 31 0.549 4.703 3.356 1.00 0.00 H new ATOM 444 N LYS A 32 3.836 6.577 4.841 1.00 0.00 N ATOM 445 CA LYS A 32 3.562 7.941 5.277 1.00 0.00 C ATOM 446 C LYS A 32 4.092 8.952 4.265 1.00 0.00 C ATOM 447 O LYS A 32 5.222 8.836 3.791 1.00 0.00 O ATOM 448 CB LYS A 32 4.191 8.197 6.648 1.00 0.00 C ATOM 449 CG LYS A 32 4.045 9.632 7.126 1.00 0.00 C ATOM 450 CD LYS A 32 5.122 9.996 8.134 1.00 0.00 C ATOM 451 CE LYS A 32 4.700 9.646 9.552 1.00 0.00 C ATOM 452 NZ LYS A 32 4.987 8.222 9.881 1.00 0.00 N ATOM 0 H LYS A 32 4.827 6.354 4.753 1.00 0.00 H new ATOM 0 HA LYS A 32 2.481 8.061 5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.732 7.531 7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.250 7.943 6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.100 10.308 6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.062 9.768 7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.045 9.470 7.888 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.336 11.063 8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.222 10.294 10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.634 9.839 9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.011 8.102 10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.243 7.616 9.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.908 7.952 9.480 1.00 0.00 H new ATOM 466 N VAL A 33 3.269 9.944 3.940 1.00 0.00 N ATOM 467 CA VAL A 33 3.657 10.977 2.986 1.00 0.00 C ATOM 468 C VAL A 33 3.355 12.369 3.531 1.00 0.00 C ATOM 469 O VAL A 33 2.233 12.654 3.949 1.00 0.00 O ATOM 470 CB VAL A 33 2.932 10.798 1.639 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.431 10.679 1.852 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.257 11.951 0.702 1.00 0.00 C ATOM 0 H VAL A 33 2.330 10.054 4.323 1.00 0.00 H new ATOM 0 HA VAL A 33 4.731 10.876 2.829 1.00 0.00 H new ATOM 0 HB VAL A 33 3.283 9.875 1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.936 10.553 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.220 9.816 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.059 11.582 2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.736 11.808 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.936 12.889 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.332 11.983 0.524 1.00 0.00 H new ATOM 482 N SER A 34 4.365 13.233 3.523 1.00 0.00 N ATOM 483 CA SER A 34 4.210 14.595 4.020 1.00 0.00 C ATOM 484 C SER A 34 3.745 15.529 2.907 1.00 0.00 C ATOM 485 O SER A 34 3.919 15.240 1.724 1.00 0.00 O ATOM 486 CB SER A 34 5.530 15.100 4.607 1.00 0.00 C ATOM 487 OG SER A 34 5.407 16.437 5.061 1.00 0.00 O ATOM 0 H SER A 34 5.299 13.014 3.178 1.00 0.00 H new ATOM 0 HA SER A 34 3.452 14.586 4.804 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.833 14.458 5.434 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.314 15.039 3.852 1.00 0.00 H new ATOM 0 HG SER A 34 6.263 16.736 5.433 1.00 0.00 H new ATOM 493 N GLY A 35 3.150 16.653 3.296 1.00 0.00 N ATOM 494 CA GLY A 35 2.668 17.613 2.321 1.00 0.00 C ATOM 495 C GLY A 35 1.526 18.456 2.853 1.00 0.00 C ATOM 496 O GLY A 35 0.741 17.998 3.684 1.00 0.00 O ATOM 0 H GLY A 35 2.993 16.915 4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.488 18.265 2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.339 17.084 1.427 1.00 0.00 H new ATOM 500 N LEU A 36 1.433 19.692 2.375 1.00 0.00 N ATOM 501 CA LEU A 36 0.379 20.603 2.809 1.00 0.00 C ATOM 502 C LEU A 36 -0.195 21.375 1.625 1.00 0.00 C ATOM 503 O LEU A 36 0.522 22.050 0.886 1.00 0.00 O ATOM 504 CB LEU A 36 0.920 21.579 3.855 1.00 0.00 C ATOM 505 CG LEU A 36 -0.045 22.673 4.315 1.00 0.00 C ATOM 506 CD1 LEU A 36 -0.885 22.187 5.486 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.719 23.934 4.691 1.00 0.00 C ATOM 0 H LEU A 36 2.074 20.087 1.687 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.420 20.010 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.233 21.007 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.812 22.056 3.450 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.715 22.911 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.565 22.979 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.461 21.313 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.232 21.920 6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.017 24.702 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.413 23.711 5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.275 24.294 3.826 1.00 0.00 H new ATOM 519 N PRO A 37 -1.520 21.276 1.441 1.00 0.00 N ATOM 520 CA PRO A 37 -2.384 20.476 2.314 1.00 0.00 C ATOM 521 C PRO A 37 -2.150 18.978 2.145 1.00 0.00 C ATOM 522 O PRO A 37 -1.207 18.558 1.473 1.00 0.00 O ATOM 523 CB PRO A 37 -3.795 20.851 1.857 1.00 0.00 C ATOM 524 CG PRO A 37 -3.632 21.292 0.443 1.00 0.00 C ATOM 525 CD PRO A 37 -2.277 21.939 0.365 1.00 0.00 C ATOM 0 HA PRO A 37 -2.196 20.676 3.369 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.474 20.001 1.931 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.212 21.647 2.474 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.700 20.445 -0.240 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.417 21.994 0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.812 21.782 -0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.336 23.016 0.520 1.00 0.00 H new ATOM 533 N THR A 38 -3.014 18.176 2.758 1.00 0.00 N ATOM 534 CA THR A 38 -2.902 16.725 2.676 1.00 0.00 C ATOM 535 C THR A 38 -2.699 16.270 1.236 1.00 0.00 C ATOM 536 O THR A 38 -3.510 16.548 0.352 1.00 0.00 O ATOM 537 CB THR A 38 -4.151 16.031 3.251 1.00 0.00 C ATOM 538 OG1 THR A 38 -4.380 16.469 4.595 1.00 0.00 O ATOM 539 CG2 THR A 38 -3.990 14.519 3.225 1.00 0.00 C ATOM 0 H THR A 38 -3.800 18.507 3.317 1.00 0.00 H new ATOM 0 HA THR A 38 -2.033 16.441 3.270 1.00 0.00 H new ATOM 0 HB THR A 38 -5.007 16.300 2.631 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.177 16.024 4.953 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.884 14.051 3.636 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.846 14.186 2.197 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.124 14.235 3.823 1.00 0.00 H new ATOM 547 N PRO A 39 -1.592 15.553 0.991 1.00 0.00 N ATOM 548 CA PRO A 39 -1.258 15.043 -0.342 1.00 0.00 C ATOM 549 C PRO A 39 -2.197 13.928 -0.788 1.00 0.00 C ATOM 550 O PRO A 39 -2.378 12.936 -0.081 1.00 0.00 O ATOM 551 CB PRO A 39 0.166 14.507 -0.170 1.00 0.00 C ATOM 552 CG PRO A 39 0.274 14.179 1.279 1.00 0.00 C ATOM 553 CD PRO A 39 -0.582 15.185 1.997 1.00 0.00 C ATOM 0 HA PRO A 39 -1.348 15.813 -1.108 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.335 13.626 -0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.907 15.250 -0.464 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.069 13.163 1.476 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.309 14.236 1.616 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.040 14.759 2.889 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.002 16.050 2.319 1.00 0.00 H new ATOM 561 N ASP A 40 -2.791 14.096 -1.964 1.00 0.00 N ATOM 562 CA ASP A 40 -3.711 13.102 -2.505 1.00 0.00 C ATOM 563 C ASP A 40 -2.963 12.070 -3.345 1.00 0.00 C ATOM 564 O ASP A 40 -2.381 12.400 -4.379 1.00 0.00 O ATOM 565 CB ASP A 40 -4.789 13.781 -3.351 1.00 0.00 C ATOM 566 CG ASP A 40 -5.441 14.945 -2.631 1.00 0.00 C ATOM 567 OD1 ASP A 40 -4.746 15.950 -2.378 1.00 0.00 O ATOM 568 OD2 ASP A 40 -6.647 14.850 -2.320 1.00 0.00 O ATOM 0 H ASP A 40 -2.652 14.911 -2.561 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.186 12.589 -1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.347 14.135 -4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.552 13.049 -3.618 1.00 0.00 H new ATOM 573 N LEU A 41 -2.984 10.821 -2.894 1.00 0.00 N ATOM 574 CA LEU A 41 -2.307 9.740 -3.603 1.00 0.00 C ATOM 575 C LEU A 41 -3.297 8.656 -4.014 1.00 0.00 C ATOM 576 O LEU A 41 -4.396 8.565 -3.468 1.00 0.00 O ATOM 577 CB LEU A 41 -1.208 9.138 -2.725 1.00 0.00 C ATOM 578 CG LEU A 41 -1.678 8.419 -1.460 1.00 0.00 C ATOM 579 CD1 LEU A 41 -0.638 7.409 -1.002 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.973 9.423 -0.355 1.00 0.00 C ATOM 0 H LEU A 41 -3.462 10.531 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.856 10.155 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.635 8.433 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.526 9.936 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.598 7.882 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.990 6.907 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.476 6.671 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.299 7.923 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.306 8.894 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.069 9.988 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.755 10.107 -0.684 1.00 0.00 H new ATOM 592 N SER A 42 -2.899 7.834 -4.980 1.00 0.00 N ATOM 593 CA SER A 42 -3.752 6.755 -5.466 1.00 0.00 C ATOM 594 C SER A 42 -2.960 5.459 -5.609 1.00 0.00 C ATOM 595 O SER A 42 -1.819 5.464 -6.070 1.00 0.00 O ATOM 596 CB SER A 42 -4.375 7.137 -6.810 1.00 0.00 C ATOM 597 OG SER A 42 -5.521 6.349 -7.082 1.00 0.00 O ATOM 0 H SER A 42 -1.991 7.894 -5.442 1.00 0.00 H new ATOM 0 HA SER A 42 -4.547 6.596 -4.737 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.649 8.192 -6.801 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.641 7.005 -7.605 1.00 0.00 H new ATOM 0 HG SER A 42 -5.902 6.613 -7.945 1.00 0.00 H new ATOM 603 N TRP A 43 -3.575 4.351 -5.211 1.00 0.00 N ATOM 604 CA TRP A 43 -2.928 3.047 -5.294 1.00 0.00 C ATOM 605 C TRP A 43 -3.043 2.471 -6.702 1.00 0.00 C ATOM 606 O TRP A 43 -4.103 2.535 -7.323 1.00 0.00 O ATOM 607 CB TRP A 43 -3.549 2.081 -4.283 1.00 0.00 C ATOM 608 CG TRP A 43 -3.216 2.415 -2.861 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.983 3.127 -1.984 1.00 0.00 C ATOM 610 CD2 TRP A 43 -2.026 2.051 -2.152 1.00 0.00 C ATOM 611 NE1 TRP A 43 -3.343 3.228 -0.773 1.00 0.00 N ATOM 612 CE2 TRP A 43 -2.141 2.576 -0.849 1.00 0.00 C ATOM 613 CE3 TRP A 43 -0.876 1.332 -2.489 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -1.148 2.404 0.112 1.00 0.00 C ATOM 615 CZ3 TRP A 43 0.108 1.163 -1.534 1.00 0.00 C ATOM 616 CH2 TRP A 43 -0.033 1.696 -0.246 1.00 0.00 C ATOM 0 H TRP A 43 -4.520 4.330 -4.828 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.872 3.178 -5.060 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.632 2.085 -4.406 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.207 1.069 -4.501 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.951 3.549 -2.210 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.704 3.710 0.050 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.759 0.916 -3.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.254 2.815 1.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.001 0.610 -1.785 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.754 1.545 0.478 1.00 0.00 H new ATOM 627 N GLN A 44 -1.945 1.910 -7.198 1.00 0.00 N ATOM 628 CA GLN A 44 -1.924 1.324 -8.533 1.00 0.00 C ATOM 629 C GLN A 44 -1.302 -0.068 -8.507 1.00 0.00 C ATOM 630 O GLN A 44 -0.357 -0.323 -7.760 1.00 0.00 O ATOM 631 CB GLN A 44 -1.147 2.224 -9.496 1.00 0.00 C ATOM 632 CG GLN A 44 -1.925 3.451 -9.943 1.00 0.00 C ATOM 633 CD GLN A 44 -1.529 3.920 -11.330 1.00 0.00 C ATOM 634 OE1 GLN A 44 -1.666 3.185 -12.308 1.00 0.00 O ATOM 635 NE2 GLN A 44 -1.034 5.149 -11.421 1.00 0.00 N ATOM 0 H GLN A 44 -1.059 1.849 -6.696 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.954 1.236 -8.879 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.223 2.545 -9.015 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.864 1.644 -10.374 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.991 3.225 -9.931 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.762 4.259 -9.230 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.938 5.724 -10.584 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.750 5.518 -12.328 1.00 0.00 H new ATOM 644 N LEU A 45 -1.839 -0.966 -9.326 1.00 0.00 N ATOM 645 CA LEU A 45 -1.338 -2.334 -9.396 1.00 0.00 C ATOM 646 C LEU A 45 -1.091 -2.749 -10.843 1.00 0.00 C ATOM 647 O LEU A 45 -2.030 -2.893 -11.627 1.00 0.00 O ATOM 648 CB LEU A 45 -2.329 -3.296 -8.739 1.00 0.00 C ATOM 649 CG LEU A 45 -2.088 -4.784 -8.994 1.00 0.00 C ATOM 650 CD1 LEU A 45 -0.698 -5.187 -8.528 1.00 0.00 C ATOM 651 CD2 LEU A 45 -3.150 -5.623 -8.297 1.00 0.00 C ATOM 0 H LEU A 45 -2.621 -0.771 -9.951 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.391 -2.376 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.312 -3.125 -7.663 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.332 -3.046 -9.086 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.156 -4.965 -10.067 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.544 -6.249 -8.718 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.050 -4.610 -9.072 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.601 -4.991 -7.460 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.963 -6.680 -8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.114 -5.437 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.135 -5.354 -8.679 1.00 0.00 H new ATOM 663 N ASP A 46 0.177 -2.943 -11.189 1.00 0.00 N ATOM 664 CA ASP A 46 0.547 -3.345 -12.541 1.00 0.00 C ATOM 665 C ASP A 46 -0.043 -2.390 -13.574 1.00 0.00 C ATOM 666 O ASP A 46 -0.367 -2.790 -14.691 1.00 0.00 O ATOM 667 CB ASP A 46 0.072 -4.772 -12.819 1.00 0.00 C ATOM 668 CG ASP A 46 0.823 -5.803 -11.999 1.00 0.00 C ATOM 669 OD1 ASP A 46 2.013 -6.041 -12.292 1.00 0.00 O ATOM 670 OD2 ASP A 46 0.221 -6.371 -11.064 1.00 0.00 O ATOM 0 H ASP A 46 0.966 -2.828 -10.552 1.00 0.00 H new ATOM 0 HA ASP A 46 1.634 -3.309 -12.619 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.994 -4.846 -12.602 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.198 -4.994 -13.879 1.00 0.00 H new ATOM 675 N GLY A 47 -0.180 -1.124 -13.191 1.00 0.00 N ATOM 676 CA GLY A 47 -0.732 -0.131 -14.094 1.00 0.00 C ATOM 677 C GLY A 47 -2.247 -0.136 -14.105 1.00 0.00 C ATOM 678 O GLY A 47 -2.868 -0.109 -15.168 1.00 0.00 O ATOM 0 H GLY A 47 0.081 -0.768 -12.271 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.377 0.858 -13.803 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.364 -0.317 -15.103 1.00 0.00 H new ATOM 682 N LYS A 48 -2.846 -0.173 -12.920 1.00 0.00 N ATOM 683 CA LYS A 48 -4.299 -0.182 -12.796 1.00 0.00 C ATOM 684 C LYS A 48 -4.732 0.347 -11.432 1.00 0.00 C ATOM 685 O LYS A 48 -4.100 0.085 -10.409 1.00 0.00 O ATOM 686 CB LYS A 48 -4.840 -1.599 -13.000 1.00 0.00 C ATOM 687 CG LYS A 48 -4.920 -2.410 -11.718 1.00 0.00 C ATOM 688 CD LYS A 48 -4.963 -3.902 -12.004 1.00 0.00 C ATOM 689 CE LYS A 48 -5.319 -4.698 -10.758 1.00 0.00 C ATOM 690 NZ LYS A 48 -6.735 -4.485 -10.349 1.00 0.00 N ATOM 0 H LYS A 48 -2.347 -0.197 -12.031 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.708 0.471 -13.566 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.833 -1.539 -13.445 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.203 -2.123 -13.712 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.059 -2.184 -11.089 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.809 -2.120 -11.158 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.695 -4.103 -12.787 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.994 -4.229 -12.382 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.151 -5.759 -10.944 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.658 -4.409 -9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.014 -5.219 -9.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.832 -3.548 -9.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.350 -4.538 -11.186 1.00 0.00 H new ATOM 704 N PRO A 49 -5.836 1.109 -11.416 1.00 0.00 N ATOM 705 CA PRO A 49 -6.379 1.689 -10.184 1.00 0.00 C ATOM 706 C PRO A 49 -6.975 0.632 -9.259 1.00 0.00 C ATOM 707 O PRO A 49 -8.126 0.228 -9.423 1.00 0.00 O ATOM 708 CB PRO A 49 -7.471 2.635 -10.688 1.00 0.00 C ATOM 709 CG PRO A 49 -7.879 2.074 -12.006 1.00 0.00 C ATOM 710 CD PRO A 49 -6.639 1.462 -12.598 1.00 0.00 C ATOM 0 HA PRO A 49 -5.608 2.183 -9.592 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.312 2.673 -9.996 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.096 3.654 -10.790 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.664 1.327 -11.886 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.278 2.854 -12.655 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.873 0.585 -13.202 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.114 2.164 -13.246 1.00 0.00 H new ATOM 718 N VAL A 50 -6.184 0.189 -8.287 1.00 0.00 N ATOM 719 CA VAL A 50 -6.634 -0.820 -7.336 1.00 0.00 C ATOM 720 C VAL A 50 -7.716 -0.264 -6.416 1.00 0.00 C ATOM 721 O VAL A 50 -7.617 0.866 -5.937 1.00 0.00 O ATOM 722 CB VAL A 50 -5.467 -1.344 -6.478 1.00 0.00 C ATOM 723 CG1 VAL A 50 -4.715 -0.188 -5.837 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.975 -2.312 -5.421 1.00 0.00 C ATOM 0 H VAL A 50 -5.228 0.513 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.044 -1.644 -7.920 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.775 -1.881 -7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.894 -0.577 -5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.317 0.463 -6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.394 0.380 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.137 -2.672 -4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.689 -1.802 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.464 -3.157 -5.906 1.00 0.00 H new ATOM 734 N ARG A 51 -8.748 -1.065 -6.174 1.00 0.00 N ATOM 735 CA ARG A 51 -9.849 -0.653 -5.312 1.00 0.00 C ATOM 736 C ARG A 51 -9.978 -1.586 -4.111 1.00 0.00 C ATOM 737 O ARG A 51 -9.604 -2.757 -4.161 1.00 0.00 O ATOM 738 CB ARG A 51 -11.161 -0.633 -6.099 1.00 0.00 C ATOM 739 CG ARG A 51 -11.476 -1.949 -6.792 1.00 0.00 C ATOM 740 CD ARG A 51 -12.267 -2.880 -5.886 1.00 0.00 C ATOM 741 NE ARG A 51 -13.119 -3.790 -6.647 1.00 0.00 N ATOM 742 CZ ARG A 51 -14.142 -3.388 -7.394 1.00 0.00 C ATOM 743 NH1 ARG A 51 -14.438 -2.099 -7.479 1.00 0.00 N ATOM 744 NH2 ARG A 51 -14.870 -4.277 -8.057 1.00 0.00 N ATOM 0 H ARG A 51 -8.845 -2.003 -6.563 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.636 0.352 -4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.978 -0.385 -5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.115 0.159 -6.846 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.044 -1.756 -7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.548 -2.434 -7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.578 -3.458 -5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.882 -2.289 -5.207 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.918 -4.789 -6.603 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.880 -1.413 -6.970 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.224 -1.793 -8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.645 -5.270 -7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.655 -3.968 -8.630 1.00 0.00 H new ATOM 758 N PRO A 52 -10.521 -1.055 -3.005 1.00 0.00 N ATOM 759 CA PRO A 52 -10.712 -1.822 -1.771 1.00 0.00 C ATOM 760 C PRO A 52 -11.796 -2.886 -1.911 1.00 0.00 C ATOM 761 O PRO A 52 -12.981 -2.567 -2.017 1.00 0.00 O ATOM 762 CB PRO A 52 -11.134 -0.759 -0.754 1.00 0.00 C ATOM 763 CG PRO A 52 -11.741 0.328 -1.572 1.00 0.00 C ATOM 764 CD PRO A 52 -10.990 0.335 -2.875 1.00 0.00 C ATOM 0 HA PRO A 52 -9.813 -2.369 -1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.849 -1.160 -0.036 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.279 -0.395 -0.184 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.803 0.147 -1.735 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.656 1.290 -1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.632 0.622 -3.708 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.159 1.040 -2.856 1.00 0.00 H new ATOM 772 N ASP A 53 -11.383 -4.148 -1.910 1.00 0.00 N ATOM 773 CA ASP A 53 -12.320 -5.259 -2.035 1.00 0.00 C ATOM 774 C ASP A 53 -12.272 -6.152 -0.800 1.00 0.00 C ATOM 775 O ASP A 53 -11.444 -5.955 0.090 1.00 0.00 O ATOM 776 CB ASP A 53 -12.006 -6.080 -3.286 1.00 0.00 C ATOM 777 CG ASP A 53 -13.143 -7.005 -3.673 1.00 0.00 C ATOM 778 OD1 ASP A 53 -14.302 -6.539 -3.702 1.00 0.00 O ATOM 779 OD2 ASP A 53 -12.876 -8.194 -3.946 1.00 0.00 O ATOM 0 H ASP A 53 -10.406 -4.428 -1.824 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.325 -4.846 -2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.792 -5.406 -4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.105 -6.669 -3.114 1.00 0.00 H new ATOM 784 N SER A 54 -13.167 -7.134 -0.750 1.00 0.00 N ATOM 785 CA SER A 54 -13.230 -8.055 0.378 1.00 0.00 C ATOM 786 C SER A 54 -11.830 -8.424 0.857 1.00 0.00 C ATOM 787 O SER A 54 -11.582 -8.539 2.057 1.00 0.00 O ATOM 788 CB SER A 54 -13.998 -9.320 -0.010 1.00 0.00 C ATOM 789 OG SER A 54 -15.358 -9.027 -0.281 1.00 0.00 O ATOM 0 H SER A 54 -13.859 -7.312 -1.478 1.00 0.00 H new ATOM 0 HA SER A 54 -13.755 -7.556 1.193 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.538 -9.774 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.934 -10.050 0.797 1.00 0.00 H new ATOM 0 HG SER A 54 -15.827 -9.851 -0.528 1.00 0.00 H new ATOM 795 N ALA A 55 -10.916 -8.608 -0.090 1.00 0.00 N ATOM 796 CA ALA A 55 -9.540 -8.962 0.233 1.00 0.00 C ATOM 797 C ALA A 55 -8.688 -7.716 0.448 1.00 0.00 C ATOM 798 O ALA A 55 -8.060 -7.553 1.495 1.00 0.00 O ATOM 799 CB ALA A 55 -8.945 -9.828 -0.867 1.00 0.00 C ATOM 0 H ALA A 55 -11.104 -8.518 -1.088 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.546 -9.530 1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.917 -10.085 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.532 -10.741 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.959 -9.280 -1.809 1.00 0.00 H new ATOM 805 N HIS A 56 -8.671 -6.838 -0.550 1.00 0.00 N ATOM 806 CA HIS A 56 -7.895 -5.605 -0.470 1.00 0.00 C ATOM 807 C HIS A 56 -8.620 -4.561 0.376 1.00 0.00 C ATOM 808 O HIS A 56 -9.664 -4.042 -0.019 1.00 0.00 O ATOM 809 CB HIS A 56 -7.633 -5.050 -1.871 1.00 0.00 C ATOM 810 CG HIS A 56 -6.907 -6.006 -2.766 1.00 0.00 C ATOM 811 ND1 HIS A 56 -7.550 -6.951 -3.538 1.00 0.00 N ATOM 812 CD2 HIS A 56 -5.585 -6.158 -3.012 1.00 0.00 C ATOM 813 CE1 HIS A 56 -6.654 -7.643 -4.219 1.00 0.00 C ATOM 814 NE2 HIS A 56 -5.454 -7.182 -3.918 1.00 0.00 N ATOM 0 H HIS A 56 -9.185 -6.957 -1.423 1.00 0.00 H new ATOM 0 HA HIS A 56 -6.942 -5.835 0.006 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -8.584 -4.784 -2.332 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.052 -4.131 -1.787 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.782 -5.581 -2.577 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.867 -8.449 -4.905 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -4.573 -7.530 -4.297 1.00 0.00 H new ATOM 822 N LYS A 57 -8.059 -4.259 1.541 1.00 0.00 N ATOM 823 CA LYS A 57 -8.649 -3.277 2.443 1.00 0.00 C ATOM 824 C LYS A 57 -7.743 -2.059 2.592 1.00 0.00 C ATOM 825 O LYS A 57 -6.572 -2.186 2.949 1.00 0.00 O ATOM 826 CB LYS A 57 -8.907 -3.905 3.815 1.00 0.00 C ATOM 827 CG LYS A 57 -9.449 -2.924 4.841 1.00 0.00 C ATOM 828 CD LYS A 57 -9.117 -3.360 6.258 1.00 0.00 C ATOM 829 CE LYS A 57 -10.023 -4.490 6.720 1.00 0.00 C ATOM 830 NZ LYS A 57 -9.765 -5.750 5.969 1.00 0.00 N ATOM 0 H LYS A 57 -7.196 -4.680 1.883 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.597 -2.951 2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.614 -4.727 3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.977 -4.333 4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.031 -1.935 4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.530 -2.839 4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.077 -3.683 6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.219 -2.511 6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.871 -4.665 7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.065 -4.197 6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.860 -6.563 6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.452 -5.839 5.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.802 -5.730 5.577 1.00 0.00 H new ATOM 844 N MET A 58 -8.293 -0.881 2.317 1.00 0.00 N ATOM 845 CA MET A 58 -7.533 0.359 2.423 1.00 0.00 C ATOM 846 C MET A 58 -7.930 1.134 3.675 1.00 0.00 C ATOM 847 O MET A 58 -9.084 1.092 4.105 1.00 0.00 O ATOM 848 CB MET A 58 -7.755 1.226 1.182 1.00 0.00 C ATOM 849 CG MET A 58 -6.793 0.918 0.046 1.00 0.00 C ATOM 850 SD MET A 58 -7.475 1.327 -1.573 1.00 0.00 S ATOM 851 CE MET A 58 -7.331 -0.250 -2.409 1.00 0.00 C ATOM 0 H MET A 58 -9.261 -0.759 2.019 1.00 0.00 H new ATOM 0 HA MET A 58 -6.476 0.103 2.495 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.777 1.087 0.830 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.653 2.275 1.459 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.868 1.475 0.197 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.535 -0.141 0.070 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.647 -0.142 -3.447 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.294 -0.585 -2.378 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.964 -0.985 -1.912 1.00 0.00 H new ATOM 861 N LEU A 59 -6.967 1.841 4.258 1.00 0.00 N ATOM 862 CA LEU A 59 -7.216 2.626 5.462 1.00 0.00 C ATOM 863 C LEU A 59 -6.693 4.049 5.302 1.00 0.00 C ATOM 864 O LEU A 59 -5.760 4.297 4.538 1.00 0.00 O ATOM 865 CB LEU A 59 -6.558 1.961 6.673 1.00 0.00 C ATOM 866 CG LEU A 59 -7.301 0.765 7.269 1.00 0.00 C ATOM 867 CD1 LEU A 59 -6.849 -0.528 6.608 1.00 0.00 C ATOM 868 CD2 LEU A 59 -7.087 0.700 8.774 1.00 0.00 C ATOM 0 H LEU A 59 -6.007 1.886 3.916 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.293 2.671 5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.559 1.635 6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.436 2.713 7.453 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.367 0.893 7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.389 -1.368 7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.055 -0.481 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.779 -0.663 6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.623 -0.157 9.181 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.023 0.597 8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.462 1.614 9.235 1.00 0.00 H new ATOM 880 N VAL A 60 -7.299 4.982 6.030 1.00 0.00 N ATOM 881 CA VAL A 60 -6.893 6.381 5.971 1.00 0.00 C ATOM 882 C VAL A 60 -6.916 7.019 7.356 1.00 0.00 C ATOM 883 O VAL A 60 -7.961 7.083 8.003 1.00 0.00 O ATOM 884 CB VAL A 60 -7.804 7.192 5.030 1.00 0.00 C ATOM 885 CG1 VAL A 60 -7.296 8.619 4.893 1.00 0.00 C ATOM 886 CG2 VAL A 60 -7.898 6.517 3.669 1.00 0.00 C ATOM 0 H VAL A 60 -8.073 4.794 6.667 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.875 6.398 5.582 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.804 7.229 5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.952 9.176 4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.285 9.097 5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.286 8.608 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.545 7.103 3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.904 6.448 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.312 5.516 3.787 1.00 0.00 H new ATOM 896 N ARG A 61 -5.757 7.489 7.804 1.00 0.00 N ATOM 897 CA ARG A 61 -5.644 8.121 9.113 1.00 0.00 C ATOM 898 C ARG A 61 -6.074 9.584 9.050 1.00 0.00 C ATOM 899 O ARG A 61 -6.033 10.207 7.989 1.00 0.00 O ATOM 900 CB ARG A 61 -4.206 8.023 9.628 1.00 0.00 C ATOM 901 CG ARG A 61 -3.889 6.697 10.300 1.00 0.00 C ATOM 902 CD ARG A 61 -3.480 5.642 9.284 1.00 0.00 C ATOM 903 NE ARG A 61 -3.366 4.317 9.887 1.00 0.00 N ATOM 904 CZ ARG A 61 -4.411 3.593 10.273 1.00 0.00 C ATOM 905 NH1 ARG A 61 -5.641 4.063 10.119 1.00 0.00 N ATOM 906 NH2 ARG A 61 -4.226 2.395 10.814 1.00 0.00 N ATOM 0 H ARG A 61 -4.883 7.444 7.280 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.306 7.595 9.801 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.520 8.172 8.794 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.027 8.832 10.336 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.086 6.837 11.024 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.761 6.351 10.855 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.213 5.612 8.478 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.526 5.920 8.837 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.433 3.926 10.019 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.787 4.983 9.703 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.441 3.505 10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.281 2.030 10.934 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.029 1.840 11.110 1.00 0.00 H new ATOM 920 N GLU A 62 -6.487 10.124 10.192 1.00 0.00 N ATOM 921 CA GLU A 62 -6.926 11.513 10.264 1.00 0.00 C ATOM 922 C GLU A 62 -5.781 12.464 9.927 1.00 0.00 C ATOM 923 O GLU A 62 -5.981 13.670 9.792 1.00 0.00 O ATOM 924 CB GLU A 62 -7.470 11.827 11.660 1.00 0.00 C ATOM 925 CG GLU A 62 -6.510 11.469 12.782 1.00 0.00 C ATOM 926 CD GLU A 62 -6.841 12.178 14.081 1.00 0.00 C ATOM 927 OE1 GLU A 62 -6.376 13.323 14.266 1.00 0.00 O ATOM 928 OE2 GLU A 62 -7.564 11.589 14.911 1.00 0.00 O ATOM 0 H GLU A 62 -6.527 9.622 11.079 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.720 11.655 9.531 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.704 12.890 11.719 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.405 11.286 11.807 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.533 10.391 12.945 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.494 11.725 12.481 1.00 0.00 H new ATOM 935 N ASN A 63 -4.580 11.910 9.794 1.00 0.00 N ATOM 936 CA ASN A 63 -3.402 12.709 9.474 1.00 0.00 C ATOM 937 C ASN A 63 -3.084 12.636 7.984 1.00 0.00 C ATOM 938 O ASN A 63 -2.692 13.629 7.373 1.00 0.00 O ATOM 939 CB ASN A 63 -2.198 12.228 10.288 1.00 0.00 C ATOM 940 CG ASN A 63 -2.481 12.202 11.777 1.00 0.00 C ATOM 941 OD1 ASN A 63 -2.564 13.246 12.424 1.00 0.00 O ATOM 942 ND2 ASN A 63 -2.630 11.003 12.330 1.00 0.00 N ATOM 0 H ASN A 63 -4.397 10.912 9.903 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.616 13.746 9.731 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.915 11.229 9.957 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.347 12.881 10.094 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.821 10.922 13.329 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.553 10.163 11.756 1.00 0.00 H new ATOM 949 N GLY A 64 -3.257 11.452 7.404 1.00 0.00 N ATOM 950 CA GLY A 64 -2.985 11.271 5.990 1.00 0.00 C ATOM 951 C GLY A 64 -2.336 9.934 5.691 1.00 0.00 C ATOM 952 O GLY A 64 -2.613 9.319 4.661 1.00 0.00 O ATOM 0 H GLY A 64 -3.581 10.615 7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.917 11.352 5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.334 12.073 5.643 1.00 0.00 H new ATOM 956 N VAL A 65 -1.469 9.483 6.592 1.00 0.00 N ATOM 957 CA VAL A 65 -0.779 8.211 6.419 1.00 0.00 C ATOM 958 C VAL A 65 -1.716 7.150 5.854 1.00 0.00 C ATOM 959 O VAL A 65 -2.773 6.873 6.422 1.00 0.00 O ATOM 960 CB VAL A 65 -0.193 7.705 7.750 1.00 0.00 C ATOM 961 CG1 VAL A 65 0.402 6.316 7.579 1.00 0.00 C ATOM 962 CG2 VAL A 65 0.851 8.679 8.277 1.00 0.00 C ATOM 0 H VAL A 65 -1.228 9.980 7.449 1.00 0.00 H new ATOM 0 HA VAL A 65 0.035 8.386 5.715 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.000 7.641 8.480 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.811 5.976 8.530 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.375 5.625 7.250 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.197 6.350 6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.255 8.306 9.218 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.657 8.777 7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.390 9.653 8.441 1.00 0.00 H new ATOM 972 N HIS A 66 -1.322 6.557 4.731 1.00 0.00 N ATOM 973 CA HIS A 66 -2.126 5.524 4.088 1.00 0.00 C ATOM 974 C HIS A 66 -1.572 4.136 4.392 1.00 0.00 C ATOM 975 O HIS A 66 -0.387 3.981 4.687 1.00 0.00 O ATOM 976 CB HIS A 66 -2.170 5.749 2.576 1.00 0.00 C ATOM 977 CG HIS A 66 -3.306 6.617 2.132 1.00 0.00 C ATOM 978 ND1 HIS A 66 -4.464 6.116 1.575 1.00 0.00 N ATOM 979 CD2 HIS A 66 -3.459 7.962 2.167 1.00 0.00 C ATOM 980 CE1 HIS A 66 -5.279 7.114 1.285 1.00 0.00 C ATOM 981 NE2 HIS A 66 -4.693 8.245 1.635 1.00 0.00 N ATOM 0 H HIS A 66 -0.451 6.775 4.248 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.139 5.587 4.486 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.231 6.202 2.257 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.244 4.784 2.075 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.744 8.679 2.543 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.258 7.021 0.838 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.092 9.177 1.528 1.00 0.00 H new ATOM 989 N SER A 67 -2.437 3.129 4.320 1.00 0.00 N ATOM 990 CA SER A 67 -2.035 1.754 4.592 1.00 0.00 C ATOM 991 C SER A 67 -2.904 0.770 3.815 1.00 0.00 C ATOM 992 O SER A 67 -4.132 0.867 3.823 1.00 0.00 O ATOM 993 CB SER A 67 -2.127 1.461 6.091 1.00 0.00 C ATOM 994 OG SER A 67 -1.391 2.409 6.843 1.00 0.00 O ATOM 0 H SER A 67 -3.421 3.240 4.075 1.00 0.00 H new ATOM 0 HA SER A 67 -1.001 1.632 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.171 1.476 6.404 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.748 0.459 6.293 1.00 0.00 H new ATOM 0 HG SER A 67 -1.468 2.200 7.797 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.258 -0.177 3.143 1.00 0.00 N ATOM 1001 CA LEU A 68 -2.970 -1.180 2.360 1.00 0.00 C ATOM 1002 C LEU A 68 -2.850 -2.559 3.002 1.00 0.00 C ATOM 1003 O LEU A 68 -1.763 -3.134 3.060 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.425 -1.221 0.931 1.00 0.00 C ATOM 1005 CG LEU A 68 -3.168 -2.135 -0.044 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -4.534 -1.558 -0.382 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -2.347 -2.344 -1.309 1.00 0.00 C ATOM 0 H LEU A 68 -1.242 -0.271 3.125 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.024 -0.903 2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.437 -0.208 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.382 -1.536 0.970 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.314 -3.103 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.048 -2.222 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.123 -1.460 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.411 -0.577 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.891 -2.997 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.169 -1.382 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.392 -2.803 -1.052 1.00 0.00 H new ATOM 1019 N ILE A 69 -3.973 -3.083 3.481 1.00 0.00 N ATOM 1020 CA ILE A 69 -3.993 -4.395 4.116 1.00 0.00 C ATOM 1021 C ILE A 69 -4.721 -5.415 3.246 1.00 0.00 C ATOM 1022 O ILE A 69 -5.907 -5.262 2.954 1.00 0.00 O ATOM 1023 CB ILE A 69 -4.669 -4.341 5.498 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -3.906 -3.393 6.427 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -4.748 -5.734 6.104 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -4.549 -3.231 7.786 1.00 0.00 C ATOM 0 H ILE A 69 -4.881 -2.619 3.442 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.954 -4.702 4.240 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.683 -3.961 5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.890 -3.765 6.557 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.829 -2.415 5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.228 -5.679 7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.330 -6.383 5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.742 -6.139 6.216 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.955 -2.546 8.390 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.555 -2.830 7.667 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.601 -4.200 8.282 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.002 -6.455 2.837 1.00 0.00 N ATOM 1039 CA ILE A 70 -4.581 -7.502 2.004 1.00 0.00 C ATOM 1040 C ILE A 70 -4.830 -8.771 2.811 1.00 0.00 C ATOM 1041 O ILE A 70 -3.907 -9.341 3.391 1.00 0.00 O ATOM 1042 CB ILE A 70 -3.669 -7.837 0.808 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -3.287 -6.561 0.057 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -4.360 -8.821 -0.124 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -1.990 -6.679 -0.714 1.00 0.00 C ATOM 0 H ILE A 70 -3.019 -6.595 3.069 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.531 -7.120 1.630 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.757 -8.301 1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.089 -6.302 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.203 -5.741 0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.704 -9.048 -0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.586 -9.739 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.286 -8.382 -0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.782 -5.737 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.177 -6.907 -0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.076 -7.477 -1.451 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.085 -9.210 2.840 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.456 -10.414 3.575 1.00 0.00 C ATOM 1059 C GLU A 71 -7.819 -10.929 3.124 1.00 0.00 C ATOM 1060 O GLU A 71 -8.825 -10.220 3.172 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.476 -10.134 5.079 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.275 -11.375 5.932 1.00 0.00 C ATOM 1063 CD GLU A 71 -7.424 -12.358 5.812 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -8.581 -11.949 6.043 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -7.165 -13.536 5.488 1.00 0.00 O ATOM 0 H GLU A 71 -6.861 -8.750 2.364 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.710 -11.181 3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.696 -9.411 5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.428 -9.673 5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.348 -11.867 5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.162 -11.080 6.975 1.00 0.00 H new ATOM 1072 N PRO A 72 -7.855 -12.192 2.674 1.00 0.00 N ATOM 1073 CA PRO A 72 -6.664 -13.044 2.612 1.00 0.00 C ATOM 1074 C PRO A 72 -5.680 -12.587 1.541 1.00 0.00 C ATOM 1075 O PRO A 72 -5.868 -11.544 0.915 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.232 -14.422 2.264 1.00 0.00 C ATOM 1077 CG PRO A 72 -8.515 -14.137 1.562 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.061 -12.885 2.191 1.00 0.00 C ATOM 0 HA PRO A 72 -6.099 -13.024 3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.548 -14.983 1.627 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.396 -15.021 3.160 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.353 -13.998 0.493 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.213 -14.966 1.673 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.611 -12.280 1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.748 -13.112 3.006 1.00 0.00 H new ATOM 1086 N VAL A 73 -4.629 -13.375 1.335 1.00 0.00 N ATOM 1087 CA VAL A 73 -3.615 -13.052 0.338 1.00 0.00 C ATOM 1088 C VAL A 73 -3.525 -14.140 -0.726 1.00 0.00 C ATOM 1089 O VAL A 73 -3.442 -15.328 -0.411 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.230 -12.867 0.986 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.134 -12.936 -0.066 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.169 -11.549 1.745 1.00 0.00 C ATOM 0 H VAL A 73 -4.458 -14.241 1.845 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.917 -12.115 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.070 -13.678 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.163 -12.803 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.165 -13.907 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.287 -12.148 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.184 -11.434 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.351 -10.724 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.929 -11.544 2.526 1.00 0.00 H new ATOM 1102 N THR A 74 -3.540 -13.727 -1.989 1.00 0.00 N ATOM 1103 CA THR A 74 -3.461 -14.666 -3.101 1.00 0.00 C ATOM 1104 C THR A 74 -2.429 -14.215 -4.129 1.00 0.00 C ATOM 1105 O THR A 74 -1.937 -13.088 -4.075 1.00 0.00 O ATOM 1106 CB THR A 74 -4.825 -14.829 -3.798 1.00 0.00 C ATOM 1107 OG1 THR A 74 -4.634 -15.155 -5.179 1.00 0.00 O ATOM 1108 CG2 THR A 74 -5.648 -13.555 -3.681 1.00 0.00 C ATOM 0 H THR A 74 -3.606 -12.748 -2.268 1.00 0.00 H new ATOM 0 HA THR A 74 -3.158 -15.626 -2.682 1.00 0.00 H new ATOM 0 HB THR A 74 -5.365 -15.638 -3.306 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.506 -15.259 -5.614 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.607 -13.694 -4.181 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.817 -13.326 -2.629 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.111 -12.731 -4.150 1.00 0.00 H new ATOM 1116 N SER A 75 -2.106 -15.101 -5.065 1.00 0.00 N ATOM 1117 CA SER A 75 -1.130 -14.795 -6.104 1.00 0.00 C ATOM 1118 C SER A 75 -1.516 -13.523 -6.854 1.00 0.00 C ATOM 1119 O SER A 75 -0.698 -12.934 -7.561 1.00 0.00 O ATOM 1120 CB SER A 75 -1.013 -15.963 -7.084 1.00 0.00 C ATOM 1121 OG SER A 75 -2.087 -15.963 -8.009 1.00 0.00 O ATOM 0 H SER A 75 -2.506 -16.037 -5.125 1.00 0.00 H new ATOM 0 HA SER A 75 -0.164 -14.635 -5.625 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.067 -15.898 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.003 -16.904 -6.534 1.00 0.00 H new ATOM 0 HG SER A 75 -1.988 -16.718 -8.625 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.768 -13.107 -6.695 1.00 0.00 N ATOM 1128 CA ARG A 76 -3.264 -11.907 -7.358 1.00 0.00 C ATOM 1129 C ARG A 76 -2.694 -10.651 -6.706 1.00 0.00 C ATOM 1130 O ARG A 76 -2.403 -9.666 -7.384 1.00 0.00 O ATOM 1131 CB ARG A 76 -4.793 -11.869 -7.313 1.00 0.00 C ATOM 1132 CG ARG A 76 -5.414 -11.034 -8.420 1.00 0.00 C ATOM 1133 CD ARG A 76 -6.926 -10.950 -8.274 1.00 0.00 C ATOM 1134 NE ARG A 76 -7.540 -10.196 -9.363 1.00 0.00 N ATOM 1135 CZ ARG A 76 -7.865 -10.730 -10.535 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -7.636 -12.015 -10.768 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -8.422 -9.978 -11.476 1.00 0.00 N ATOM 0 H ARG A 76 -3.457 -13.583 -6.113 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.938 -11.936 -8.398 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.175 -12.888 -7.380 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.110 -11.472 -6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.989 -10.030 -8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.164 -11.468 -9.388 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.344 -11.956 -8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.173 -10.479 -7.323 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.730 -9.205 -9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.209 -12.596 -10.046 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.887 -12.423 -11.669 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.601 -8.989 -11.299 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.671 -10.389 -12.376 1.00 0.00 H new ATOM 1151 N ASP A 77 -2.537 -10.694 -5.388 1.00 0.00 N ATOM 1152 CA ASP A 77 -2.002 -9.560 -4.644 1.00 0.00 C ATOM 1153 C ASP A 77 -0.520 -9.362 -4.948 1.00 0.00 C ATOM 1154 O ASP A 77 0.042 -8.299 -4.684 1.00 0.00 O ATOM 1155 CB ASP A 77 -2.204 -9.766 -3.142 1.00 0.00 C ATOM 1156 CG ASP A 77 -1.064 -10.535 -2.504 1.00 0.00 C ATOM 1157 OD1 ASP A 77 -0.417 -11.334 -3.213 1.00 0.00 O ATOM 1158 OD2 ASP A 77 -0.818 -10.337 -1.296 1.00 0.00 O ATOM 0 H ASP A 77 -2.773 -11.502 -4.812 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.542 -8.666 -4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.301 -8.796 -2.655 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.138 -10.302 -2.974 1.00 0.00 H new ATOM 1163 N ALA A 78 0.108 -10.394 -5.502 1.00 0.00 N ATOM 1164 CA ALA A 78 1.524 -10.334 -5.842 1.00 0.00 C ATOM 1165 C ALA A 78 1.752 -9.499 -7.098 1.00 0.00 C ATOM 1166 O ALA A 78 1.290 -9.853 -8.182 1.00 0.00 O ATOM 1167 CB ALA A 78 2.082 -11.737 -6.030 1.00 0.00 C ATOM 0 H ALA A 78 -0.342 -11.282 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 78 2.050 -9.853 -5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.140 -11.677 -6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.962 -12.303 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.544 -12.238 -6.835 1.00 0.00 H new ATOM 1173 N GLY A 79 2.467 -8.389 -6.944 1.00 0.00 N ATOM 1174 CA GLY A 79 2.742 -7.521 -8.074 1.00 0.00 C ATOM 1175 C GLY A 79 3.476 -6.258 -7.670 1.00 0.00 C ATOM 1176 O GLY A 79 3.902 -6.120 -6.523 1.00 0.00 O ATOM 0 H GLY A 79 2.861 -8.075 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.337 -8.064 -8.809 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.803 -7.253 -8.559 1.00 0.00 H new ATOM 1180 N ILE A 80 3.626 -5.335 -8.614 1.00 0.00 N ATOM 1181 CA ILE A 80 4.314 -4.078 -8.350 1.00 0.00 C ATOM 1182 C ILE A 80 3.329 -2.985 -7.949 1.00 0.00 C ATOM 1183 O ILE A 80 2.633 -2.421 -8.793 1.00 0.00 O ATOM 1184 CB ILE A 80 5.115 -3.605 -9.578 1.00 0.00 C ATOM 1185 CG1 ILE A 80 6.120 -4.678 -10.002 1.00 0.00 C ATOM 1186 CG2 ILE A 80 5.826 -2.295 -9.275 1.00 0.00 C ATOM 1187 CD1 ILE A 80 6.824 -5.340 -8.838 1.00 0.00 C ATOM 0 H ILE A 80 3.280 -5.434 -9.568 1.00 0.00 H new ATOM 0 HA ILE A 80 5.003 -4.264 -7.526 1.00 0.00 H new ATOM 0 HB ILE A 80 4.422 -3.436 -10.402 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.602 -5.440 -10.584 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.865 -4.228 -10.658 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.387 -1.974 -10.153 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.091 -1.533 -9.016 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.510 -2.437 -8.439 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.521 -6.089 -9.213 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.371 -4.589 -8.268 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.088 -5.820 -8.193 1.00 0.00 H new ATOM 1199 N TYR A 81 3.276 -2.691 -6.654 1.00 0.00 N ATOM 1200 CA TYR A 81 2.375 -1.666 -6.140 1.00 0.00 C ATOM 1201 C TYR A 81 3.012 -0.283 -6.237 1.00 0.00 C ATOM 1202 O TYR A 81 3.982 0.019 -5.541 1.00 0.00 O ATOM 1203 CB TYR A 81 2.003 -1.967 -4.687 1.00 0.00 C ATOM 1204 CG TYR A 81 0.955 -3.047 -4.542 1.00 0.00 C ATOM 1205 CD1 TYR A 81 -0.385 -2.780 -4.794 1.00 0.00 C ATOM 1206 CD2 TYR A 81 1.304 -4.334 -4.153 1.00 0.00 C ATOM 1207 CE1 TYR A 81 -1.347 -3.763 -4.662 1.00 0.00 C ATOM 1208 CE2 TYR A 81 0.350 -5.324 -4.020 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.974 -5.034 -4.276 1.00 0.00 C ATOM 1210 OH TYR A 81 -1.928 -6.017 -4.143 1.00 0.00 O ATOM 0 H TYR A 81 3.846 -3.148 -5.942 1.00 0.00 H new ATOM 0 HA TYR A 81 1.471 -1.674 -6.749 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.900 -2.268 -4.146 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.639 -1.053 -4.217 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.680 -1.787 -5.098 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.340 -4.565 -3.951 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.385 -3.538 -4.860 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.639 -6.320 -3.717 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.509 -6.896 -4.250 1.00 0.00 H new ATOM 1220 N THR A 82 2.458 0.556 -7.107 1.00 0.00 N ATOM 1221 CA THR A 82 2.970 1.907 -7.297 1.00 0.00 C ATOM 1222 C THR A 82 1.949 2.950 -6.855 1.00 0.00 C ATOM 1223 O THR A 82 0.742 2.751 -7.001 1.00 0.00 O ATOM 1224 CB THR A 82 3.344 2.164 -8.769 1.00 0.00 C ATOM 1225 OG1 THR A 82 4.433 1.317 -9.153 1.00 0.00 O ATOM 1226 CG2 THR A 82 3.727 3.620 -8.984 1.00 0.00 C ATOM 0 H THR A 82 1.655 0.323 -7.691 1.00 0.00 H new ATOM 0 HA THR A 82 3.865 1.995 -6.681 1.00 0.00 H new ATOM 0 HB THR A 82 2.474 1.939 -9.386 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.663 1.485 -10.091 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.987 3.777 -10.031 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.886 4.260 -8.719 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.583 3.867 -8.356 1.00 0.00 H new ATOM 1234 N CYS A 83 2.439 4.060 -6.316 1.00 0.00 N ATOM 1235 CA CYS A 83 1.568 5.134 -5.853 1.00 0.00 C ATOM 1236 C CYS A 83 2.075 6.490 -6.333 1.00 0.00 C ATOM 1237 O CYS A 83 3.265 6.660 -6.602 1.00 0.00 O ATOM 1238 CB CYS A 83 1.477 5.122 -4.326 1.00 0.00 C ATOM 1239 SG CYS A 83 -0.086 5.757 -3.675 1.00 0.00 S ATOM 0 H CYS A 83 3.435 4.240 -6.189 1.00 0.00 H new ATOM 0 HA CYS A 83 0.575 4.969 -6.271 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.617 4.101 -3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.296 5.716 -3.919 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.880 6.049 -4.662 1.00 0.00 H new ATOM 1245 N ILE A 84 1.165 7.452 -6.440 1.00 0.00 N ATOM 1246 CA ILE A 84 1.520 8.793 -6.888 1.00 0.00 C ATOM 1247 C ILE A 84 0.870 9.856 -6.010 1.00 0.00 C ATOM 1248 O ILE A 84 -0.323 10.134 -6.133 1.00 0.00 O ATOM 1249 CB ILE A 84 1.101 9.026 -8.352 1.00 0.00 C ATOM 1250 CG1 ILE A 84 1.659 7.918 -9.248 1.00 0.00 C ATOM 1251 CG2 ILE A 84 1.577 10.390 -8.828 1.00 0.00 C ATOM 1252 CD1 ILE A 84 0.804 6.671 -9.269 1.00 0.00 C ATOM 0 H ILE A 84 0.176 7.328 -6.223 1.00 0.00 H new ATOM 0 HA ILE A 84 2.604 8.875 -6.811 1.00 0.00 H new ATOM 0 HB ILE A 84 0.013 9.001 -8.411 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.757 8.299 -10.265 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.661 7.656 -8.907 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.273 10.540 -9.864 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.136 11.167 -8.204 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.663 10.441 -8.757 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.260 5.928 -9.924 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.726 6.266 -8.260 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.191 6.918 -9.638 1.00 0.00 H new ATOM 1264 N ALA A 85 1.663 10.449 -5.123 1.00 0.00 N ATOM 1265 CA ALA A 85 1.166 11.486 -4.227 1.00 0.00 C ATOM 1266 C ALA A 85 1.283 12.866 -4.864 1.00 0.00 C ATOM 1267 O ALA A 85 2.383 13.388 -5.044 1.00 0.00 O ATOM 1268 CB ALA A 85 1.921 11.447 -2.906 1.00 0.00 C ATOM 0 H ALA A 85 2.652 10.229 -5.006 1.00 0.00 H new ATOM 0 HA ALA A 85 0.110 11.292 -4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.540 12.226 -2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.782 10.473 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.983 11.613 -3.089 1.00 0.00 H new ATOM 1274 N THR A 86 0.140 13.453 -5.206 1.00 0.00 N ATOM 1275 CA THR A 86 0.114 14.772 -5.826 1.00 0.00 C ATOM 1276 C THR A 86 -0.456 15.816 -4.872 1.00 0.00 C ATOM 1277 O THR A 86 -1.630 15.763 -4.508 1.00 0.00 O ATOM 1278 CB THR A 86 -0.719 14.768 -7.121 1.00 0.00 C ATOM 1279 OG1 THR A 86 -0.553 13.521 -7.806 1.00 0.00 O ATOM 1280 CG2 THR A 86 -0.305 15.912 -8.035 1.00 0.00 C ATOM 0 H THR A 86 -0.780 13.036 -5.064 1.00 0.00 H new ATOM 0 HA THR A 86 1.146 15.028 -6.067 1.00 0.00 H new ATOM 0 HB THR A 86 -1.767 14.899 -6.853 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.128 13.619 -8.503 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.907 15.888 -8.943 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.459 16.861 -7.522 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.748 15.807 -8.295 1.00 0.00 H new ATOM 1288 N ASN A 87 0.383 16.767 -4.473 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.038 17.825 -3.562 1.00 0.00 C ATOM 1290 C ASN A 87 0.062 19.192 -4.231 1.00 0.00 C ATOM 1291 O ASN A 87 0.731 19.346 -5.253 1.00 0.00 O ATOM 1292 CB ASN A 87 0.815 17.803 -2.292 1.00 0.00 C ATOM 1293 CG ASN A 87 0.422 18.891 -1.312 1.00 0.00 C ATOM 1294 OD1 ASN A 87 -0.758 19.208 -1.160 1.00 0.00 O ATOM 1295 ND2 ASN A 87 1.412 19.469 -0.641 1.00 0.00 N ATOM 0 H ASN A 87 1.358 16.826 -4.766 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.080 17.646 -3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.718 16.831 -1.809 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.865 17.922 -2.561 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.209 20.208 0.032 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.376 19.174 -0.799 1.00 0.00 H new ATOM 1302 N ARG A 88 -0.608 20.181 -3.648 1.00 0.00 N ATOM 1303 CA ARG A 88 -0.595 21.535 -4.189 1.00 0.00 C ATOM 1304 C ARG A 88 0.831 21.987 -4.488 1.00 0.00 C ATOM 1305 O ARG A 88 1.050 22.892 -5.293 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.253 22.505 -3.206 1.00 0.00 C ATOM 1307 CG ARG A 88 -1.327 23.934 -3.719 1.00 0.00 C ATOM 1308 CD ARG A 88 -2.355 24.076 -4.830 1.00 0.00 C ATOM 1309 NE ARG A 88 -2.054 25.199 -5.714 1.00 0.00 N ATOM 1310 CZ ARG A 88 -2.124 26.470 -5.336 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -2.482 26.779 -4.097 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -1.835 27.437 -6.198 1.00 0.00 N ATOM 0 H ARG A 88 -1.166 20.070 -2.802 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.160 21.533 -5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.261 22.155 -2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.697 22.493 -2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.583 24.603 -2.898 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.348 24.241 -4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.389 23.155 -5.412 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.344 24.213 -4.393 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.775 24.996 -6.674 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.705 26.039 -3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.535 27.756 -3.810 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.559 27.204 -7.152 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.889 28.413 -5.907 1.00 0.00 H new ATOM 1326 N ALA A 89 1.798 21.351 -3.834 1.00 0.00 N ATOM 1327 CA ALA A 89 3.203 21.687 -4.031 1.00 0.00 C ATOM 1328 C ALA A 89 3.763 20.999 -5.272 1.00 0.00 C ATOM 1329 O ALA A 89 4.213 21.657 -6.208 1.00 0.00 O ATOM 1330 CB ALA A 89 4.014 21.305 -2.802 1.00 0.00 C ATOM 0 H ALA A 89 1.634 20.600 -3.163 1.00 0.00 H new ATOM 0 HA ALA A 89 3.276 22.764 -4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.061 21.561 -2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.637 21.847 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.926 20.233 -2.627 1.00 0.00 H new ATOM 1336 N GLY A 90 3.731 19.669 -5.271 1.00 0.00 N ATOM 1337 CA GLY A 90 4.240 18.915 -6.401 1.00 0.00 C ATOM 1338 C GLY A 90 3.645 17.523 -6.483 1.00 0.00 C ATOM 1339 O GLY A 90 2.486 17.315 -6.126 1.00 0.00 O ATOM 0 H GLY A 90 3.362 19.101 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.022 19.455 -7.322 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.325 18.839 -6.325 1.00 0.00 H new ATOM 1343 N GLN A 91 4.440 16.568 -6.957 1.00 0.00 N ATOM 1344 CA GLN A 91 3.984 15.190 -7.087 1.00 0.00 C ATOM 1345 C GLN A 91 5.156 14.218 -7.005 1.00 0.00 C ATOM 1346 O GLN A 91 6.263 14.527 -7.447 1.00 0.00 O ATOM 1347 CB GLN A 91 3.239 14.999 -8.410 1.00 0.00 C ATOM 1348 CG GLN A 91 3.051 13.542 -8.798 1.00 0.00 C ATOM 1349 CD GLN A 91 2.303 13.378 -10.106 1.00 0.00 C ATOM 1350 OE1 GLN A 91 1.227 12.781 -10.149 1.00 0.00 O ATOM 1351 NE2 GLN A 91 2.871 13.909 -11.183 1.00 0.00 N ATOM 0 H GLN A 91 5.402 16.724 -7.257 1.00 0.00 H new ATOM 0 HA GLN A 91 3.304 14.980 -6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.262 15.476 -8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 91 3.786 15.510 -9.202 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.027 13.063 -8.879 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.508 13.026 -8.006 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.764 14.395 -11.101 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.414 13.830 -12.092 1.00 0.00 H new ATOM 1360 N ASN A 92 4.906 13.043 -6.438 1.00 0.00 N ATOM 1361 CA ASN A 92 5.942 12.026 -6.297 1.00 0.00 C ATOM 1362 C ASN A 92 5.344 10.625 -6.380 1.00 0.00 C ATOM 1363 O ASN A 92 4.130 10.450 -6.273 1.00 0.00 O ATOM 1364 CB ASN A 92 6.680 12.200 -4.968 1.00 0.00 C ATOM 1365 CG ASN A 92 8.070 11.593 -4.995 1.00 0.00 C ATOM 1366 OD1 ASN A 92 8.642 11.371 -6.062 1.00 0.00 O ATOM 1367 ND2 ASN A 92 8.620 11.322 -3.817 1.00 0.00 N ATOM 0 H ASN A 92 3.995 12.771 -6.068 1.00 0.00 H new ATOM 0 HA ASN A 92 6.650 12.149 -7.117 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.755 13.262 -4.733 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.100 11.737 -4.170 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.553 10.913 -3.772 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.109 11.523 -2.957 1.00 0.00 H new ATOM 1374 N SER A 93 6.205 9.630 -6.569 1.00 0.00 N ATOM 1375 CA SER A 93 5.762 8.244 -6.669 1.00 0.00 C ATOM 1376 C SER A 93 6.862 7.288 -6.218 1.00 0.00 C ATOM 1377 O SER A 93 8.028 7.670 -6.114 1.00 0.00 O ATOM 1378 CB SER A 93 5.347 7.921 -8.106 1.00 0.00 C ATOM 1379 OG SER A 93 5.166 6.527 -8.284 1.00 0.00 O ATOM 0 H SER A 93 7.213 9.758 -6.656 1.00 0.00 H new ATOM 0 HA SER A 93 4.901 8.115 -6.012 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.422 8.445 -8.347 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.108 8.283 -8.798 1.00 0.00 H new ATOM 0 HG SER A 93 4.320 6.252 -7.872 1.00 0.00 H new ATOM 1385 N PHE A 94 6.482 6.043 -5.951 1.00 0.00 N ATOM 1386 CA PHE A 94 7.434 5.031 -5.510 1.00 0.00 C ATOM 1387 C PHE A 94 6.963 3.633 -5.900 1.00 0.00 C ATOM 1388 O PHE A 94 5.767 3.395 -6.071 1.00 0.00 O ATOM 1389 CB PHE A 94 7.630 5.111 -3.995 1.00 0.00 C ATOM 1390 CG PHE A 94 6.575 4.380 -3.215 1.00 0.00 C ATOM 1391 CD1 PHE A 94 6.663 3.012 -3.017 1.00 0.00 C ATOM 1392 CD2 PHE A 94 5.494 5.062 -2.679 1.00 0.00 C ATOM 1393 CE1 PHE A 94 5.693 2.337 -2.300 1.00 0.00 C ATOM 1394 CE2 PHE A 94 4.521 4.393 -1.961 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.621 3.029 -1.770 1.00 0.00 C ATOM 0 H PHE A 94 5.521 5.711 -6.032 1.00 0.00 H new ATOM 0 HA PHE A 94 8.386 5.225 -6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.608 4.701 -3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.635 6.158 -3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.500 2.466 -3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.411 6.129 -2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.773 1.270 -2.154 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.683 4.936 -1.550 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.863 2.504 -1.208 1.00 0.00 H new ATOM 1405 N SER A 95 7.912 2.713 -6.041 1.00 0.00 N ATOM 1406 CA SER A 95 7.595 1.340 -6.415 1.00 0.00 C ATOM 1407 C SER A 95 7.933 0.376 -5.282 1.00 0.00 C ATOM 1408 O SER A 95 8.671 0.720 -4.357 1.00 0.00 O ATOM 1409 CB SER A 95 8.359 0.945 -7.680 1.00 0.00 C ATOM 1410 OG SER A 95 9.751 0.857 -7.429 1.00 0.00 O ATOM 0 H SER A 95 8.906 2.894 -5.902 1.00 0.00 H new ATOM 0 HA SER A 95 6.524 1.281 -6.612 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.991 -0.013 -8.046 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.173 1.679 -8.465 1.00 0.00 H new ATOM 0 HG SER A 95 10.216 0.601 -8.253 1.00 0.00 H new ATOM 1416 N LEU A 96 7.388 -0.833 -5.360 1.00 0.00 N ATOM 1417 CA LEU A 96 7.631 -1.849 -4.342 1.00 0.00 C ATOM 1418 C LEU A 96 7.325 -3.243 -4.879 1.00 0.00 C ATOM 1419 O LEU A 96 6.591 -3.395 -5.855 1.00 0.00 O ATOM 1420 CB LEU A 96 6.780 -1.570 -3.102 1.00 0.00 C ATOM 1421 CG LEU A 96 5.334 -2.067 -3.154 1.00 0.00 C ATOM 1422 CD1 LEU A 96 5.259 -3.533 -2.757 1.00 0.00 C ATOM 1423 CD2 LEU A 96 4.447 -1.222 -2.252 1.00 0.00 C ATOM 0 H LEU A 96 6.775 -1.134 -6.118 1.00 0.00 H new ATOM 0 HA LEU A 96 8.685 -1.809 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.269 -2.025 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.767 -0.494 -2.929 1.00 0.00 H new ATOM 0 HG LEU A 96 4.973 -1.970 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.223 -3.869 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.862 -4.127 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.638 -3.655 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.422 -1.590 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.806 -1.286 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.476 -0.184 -2.582 1.00 0.00 H new ATOM 1435 N GLU A 97 7.891 -4.259 -4.234 1.00 0.00 N ATOM 1436 CA GLU A 97 7.677 -5.640 -4.647 1.00 0.00 C ATOM 1437 C GLU A 97 7.145 -6.479 -3.488 1.00 0.00 C ATOM 1438 O GLU A 97 7.637 -6.385 -2.363 1.00 0.00 O ATOM 1439 CB GLU A 97 8.979 -6.246 -5.174 1.00 0.00 C ATOM 1440 CG GLU A 97 8.897 -7.743 -5.424 1.00 0.00 C ATOM 1441 CD GLU A 97 10.260 -8.409 -5.428 1.00 0.00 C ATOM 1442 OE1 GLU A 97 11.262 -7.707 -5.677 1.00 0.00 O ATOM 1443 OE2 GLU A 97 10.323 -9.631 -5.182 1.00 0.00 O ATOM 0 H GLU A 97 8.501 -4.151 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 97 6.935 -5.642 -5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.253 -5.746 -6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.777 -6.049 -4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.274 -8.202 -4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.407 -7.922 -6.381 1.00 0.00 H new ATOM 1450 N LEU A 98 6.139 -7.298 -3.772 1.00 0.00 N ATOM 1451 CA LEU A 98 5.539 -8.154 -2.754 1.00 0.00 C ATOM 1452 C LEU A 98 5.590 -9.619 -3.175 1.00 0.00 C ATOM 1453 O LEU A 98 4.905 -10.030 -4.112 1.00 0.00 O ATOM 1454 CB LEU A 98 4.090 -7.735 -2.496 1.00 0.00 C ATOM 1455 CG LEU A 98 3.205 -8.772 -1.804 1.00 0.00 C ATOM 1456 CD1 LEU A 98 3.502 -8.817 -0.313 1.00 0.00 C ATOM 1457 CD2 LEU A 98 1.734 -8.465 -2.047 1.00 0.00 C ATOM 0 H LEU A 98 5.721 -7.388 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 98 6.113 -8.040 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.097 -6.830 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.632 -7.475 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 98 3.426 -9.751 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.863 -9.561 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.547 -9.084 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.309 -7.838 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.119 -9.213 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.498 -7.477 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.530 -8.484 -3.118 1.00 0.00 H new ATOM 1469 N VAL A 99 6.404 -10.403 -2.475 1.00 0.00 N ATOM 1470 CA VAL A 99 6.541 -11.823 -2.774 1.00 0.00 C ATOM 1471 C VAL A 99 5.499 -12.646 -2.026 1.00 0.00 C ATOM 1472 O VAL A 99 5.338 -12.509 -0.813 1.00 0.00 O ATOM 1473 CB VAL A 99 7.946 -12.340 -2.410 1.00 0.00 C ATOM 1474 CG1 VAL A 99 8.077 -13.816 -2.749 1.00 0.00 C ATOM 1475 CG2 VAL A 99 9.015 -11.524 -3.121 1.00 0.00 C ATOM 0 H VAL A 99 6.978 -10.078 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 99 6.387 -11.937 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 99 8.089 -12.225 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 99 9.076 -14.163 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.335 -14.385 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.914 -13.960 -3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.001 -11.903 -2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.877 -11.604 -4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.934 -10.479 -2.822 1.00 0.00 H new ATOM 1485 N VAL A 100 4.792 -13.502 -2.757 1.00 0.00 N ATOM 1486 CA VAL A 100 3.765 -14.349 -2.162 1.00 0.00 C ATOM 1487 C VAL A 100 3.990 -15.815 -2.514 1.00 0.00 C ATOM 1488 O VAL A 100 4.187 -16.161 -3.679 1.00 0.00 O ATOM 1489 CB VAL A 100 2.357 -13.932 -2.624 1.00 0.00 C ATOM 1490 CG1 VAL A 100 1.331 -14.982 -2.225 1.00 0.00 C ATOM 1491 CG2 VAL A 100 1.990 -12.571 -2.051 1.00 0.00 C ATOM 0 H VAL A 100 4.912 -13.627 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 100 3.837 -14.223 -1.082 1.00 0.00 H new ATOM 0 HB VAL A 100 2.358 -13.855 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.342 -14.670 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.587 -15.935 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.328 -15.094 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.992 -12.292 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.006 -12.618 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.709 -11.827 -2.392 1.00 0.00 H new ATOM 1501 N ALA A 101 3.960 -16.673 -1.500 1.00 0.00 N ATOM 1502 CA ALA A 101 4.158 -18.103 -1.703 1.00 0.00 C ATOM 1503 C ALA A 101 2.833 -18.855 -1.642 1.00 0.00 C ATOM 1504 O ALA A 101 2.166 -18.874 -0.608 1.00 0.00 O ATOM 1505 CB ALA A 101 5.128 -18.654 -0.667 1.00 0.00 C ATOM 0 H ALA A 101 3.800 -16.403 -0.529 1.00 0.00 H new ATOM 0 HA ALA A 101 4.583 -18.248 -2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.267 -19.723 -0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.087 -18.145 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.725 -18.489 0.332 1.00 0.00 H new ATOM 1511 N ALA A 102 2.457 -19.472 -2.757 1.00 0.00 N ATOM 1512 CA ALA A 102 1.212 -20.227 -2.830 1.00 0.00 C ATOM 1513 C ALA A 102 1.137 -21.271 -1.722 1.00 0.00 C ATOM 1514 O ALA A 102 2.128 -21.933 -1.410 1.00 0.00 O ATOM 1515 CB ALA A 102 1.076 -20.890 -4.193 1.00 0.00 C ATOM 0 H ALA A 102 2.997 -19.464 -3.622 1.00 0.00 H new ATOM 0 HA ALA A 102 0.385 -19.530 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.142 -21.450 -4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.075 -20.126 -4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.914 -21.569 -4.353 1.00 0.00 H new