USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 801 hydrogens (14 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 NoAdj-H: A 98 ASNHD21 : A 98 ASN ND2 : A 135 NAG C1 :(H bumps) USER MOD Set 1.1: A 82 GLN : amide:sc= -1.55 X(o=-0.72,f=-1.1) USER MOD Set 1.2: A 84 TYR OH : rot 25:sc= 0.824 USER MOD Set 2.1: A 66 THR OG1 : rot -50:sc= 1.23 USER MOD Set 2.2: A 121 TYR OH : rot 30:sc= 1.34 USER MOD Set 3.1: A 63 TYR OH : rot 180:sc= -1.31 USER MOD Set 3.2: A 120 LYS NZ :NH3+ -115:sc= -5.88! (180deg=-8.37!) USER MOD Set 4.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 119 TYR OH : rot -52:sc= 0.121 USER MOD Single : A 35 MET CE :methyl -154:sc= -0.206 (180deg=-1.45!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 157:sc= -0.35 (180deg=-3.1) USER MOD Single : A 60 ASN : amide:sc= -1.17 K(o=-1.2,f=-2) USER MOD Single : A 62 ASN : amide:sc= -0.0592 K(o=-0.059,f=-7.3!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -1.81! C(o=-4.1!,f=-1.8!) USER MOD Single : A 78 MET CE :methyl -162:sc= -3.56 (180deg=-4.8!) USER MOD Single : A 80 ASN : amide:sc= 0.0861 X(o=0.086,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl -172:sc= -1.34 (180deg=-1.62!) USER MOD Single : A 93 SER OG : rot 92:sc= -0.29 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 97 ASN : amide:sc= -6.12! C(o=-6.1!,f=-11!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -3.66! C(o=-3.7!,f=-3.9!) USER MOD Single : A 108 SER OG : rot 28:sc= 0.454 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN :FLIP amide:sc= -0.156 F(o=-2.3!,f=-0.16) USER MOD Single : A 126 TYR OH : rot -170:sc= 0.158 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 165:sc=-0.00523 (180deg=-0.244) USER MOD Single : A 135 NAG O3 : rot 150:sc=0.000647 USER MOD Single : A 135 NAG O4 : rot 150:sc= 0 USER MOD Single : A 135 NAG O6 : rot -4:sc= 0.521 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -13.498 -9.326 2.375 1.00 0.00 N ATOM 2 CA GLY A 29 -12.196 -8.935 1.762 1.00 0.00 C ATOM 3 C GLY A 29 -11.404 -10.186 1.403 1.00 0.00 C ATOM 4 O GLY A 29 -11.740 -11.288 1.833 1.00 0.00 O ATOM 0 HA2 GLY A 29 -12.369 -8.333 0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.626 -8.318 2.457 1.00 0.00 H new ATOM 10 N LEU A 30 -10.356 -10.011 0.603 1.00 0.00 N ATOM 11 CA LEU A 30 -9.532 -11.138 0.184 1.00 0.00 C ATOM 12 C LEU A 30 -8.045 -10.851 0.380 1.00 0.00 C ATOM 13 O LEU A 30 -7.322 -10.603 -0.586 1.00 0.00 O ATOM 14 CB LEU A 30 -9.790 -11.440 -1.291 1.00 0.00 C ATOM 15 CG LEU A 30 -9.616 -12.936 -1.542 1.00 0.00 C ATOM 16 CD1 LEU A 30 -10.846 -13.679 -1.021 1.00 0.00 C ATOM 17 CD2 LEU A 30 -9.460 -13.181 -3.045 1.00 0.00 C ATOM 0 H LEU A 30 -10.060 -9.107 0.235 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.801 -11.995 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.798 -11.129 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.100 -10.873 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.728 -13.299 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.727 -14.748 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.955 -13.498 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.734 -13.322 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.335 -14.248 -3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.349 -12.824 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.585 -12.645 -3.412 1.00 0.00 H new ATOM 29 N PRO A 31 -7.572 -10.900 1.596 1.00 0.00 N ATOM 30 CA PRO A 31 -6.133 -10.658 1.897 1.00 0.00 C ATOM 31 C PRO A 31 -5.237 -11.519 1.006 1.00 0.00 C ATOM 32 O PRO A 31 -5.606 -12.638 0.657 1.00 0.00 O ATOM 33 CB PRO A 31 -5.985 -11.063 3.369 1.00 0.00 C ATOM 34 CG PRO A 31 -7.360 -11.028 3.956 1.00 0.00 C ATOM 35 CD PRO A 31 -8.356 -11.188 2.805 1.00 0.00 C ATOM 0 HA PRO A 31 -5.837 -9.625 1.714 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.551 -12.059 3.456 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.320 -10.378 3.895 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.486 -11.828 4.686 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.529 -10.088 4.481 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.772 -12.195 2.777 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.195 -10.499 2.907 1.00 0.00 H new ATOM 43 N PHE A 32 -4.070 -11.002 0.628 1.00 0.00 N ATOM 44 CA PHE A 32 -3.169 -11.768 -0.233 1.00 0.00 C ATOM 45 C PHE A 32 -2.340 -12.755 0.582 1.00 0.00 C ATOM 46 O PHE A 32 -1.649 -13.602 0.020 1.00 0.00 O ATOM 47 CB PHE A 32 -2.222 -10.835 -0.989 1.00 0.00 C ATOM 48 CG PHE A 32 -3.012 -9.953 -1.921 1.00 0.00 C ATOM 49 CD1 PHE A 32 -3.268 -10.368 -3.234 1.00 0.00 C ATOM 50 CD2 PHE A 32 -3.481 -8.715 -1.473 1.00 0.00 C ATOM 51 CE1 PHE A 32 -3.997 -9.541 -4.098 1.00 0.00 C ATOM 52 CE2 PHE A 32 -4.208 -7.890 -2.335 1.00 0.00 C ATOM 53 CZ PHE A 32 -4.466 -8.301 -3.648 1.00 0.00 C ATOM 0 H PHE A 32 -3.731 -10.078 0.896 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.787 -12.318 -0.943 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.660 -10.223 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.496 -11.419 -1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.904 -11.324 -3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.281 -8.396 -0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.197 -9.860 -5.110 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.571 -6.934 -1.988 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.027 -7.662 -4.314 1.00 0.00 H new ATOM 63 N GLY A 33 -2.405 -12.637 1.900 1.00 0.00 N ATOM 64 CA GLY A 33 -1.644 -13.528 2.767 1.00 0.00 C ATOM 65 C GLY A 33 -0.158 -13.193 2.707 1.00 0.00 C ATOM 66 O GLY A 33 0.515 -13.123 3.734 1.00 0.00 O ATOM 0 H GLY A 33 -2.969 -11.942 2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.001 -13.439 3.793 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.802 -14.563 2.463 1.00 0.00 H new ATOM 70 N LEU A 34 0.345 -12.986 1.494 1.00 0.00 N ATOM 71 CA LEU A 34 1.751 -12.662 1.308 1.00 0.00 C ATOM 72 C LEU A 34 1.997 -12.069 -0.074 1.00 0.00 C ATOM 73 O LEU A 34 1.689 -12.688 -1.093 1.00 0.00 O ATOM 74 CB LEU A 34 2.600 -13.921 1.477 1.00 0.00 C ATOM 75 CG LEU A 34 3.350 -13.860 2.803 1.00 0.00 C ATOM 76 CD1 LEU A 34 3.736 -15.277 3.226 1.00 0.00 C ATOM 77 CD2 LEU A 34 4.607 -13.009 2.627 1.00 0.00 C ATOM 0 H LEU A 34 -0.198 -13.037 0.632 1.00 0.00 H new ATOM 0 HA LEU A 34 2.031 -11.923 2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.965 -14.806 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.307 -14.008 0.652 1.00 0.00 H new ATOM 0 HG LEU A 34 2.717 -13.415 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.273 -15.240 4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.835 -15.880 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.375 -15.723 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.149 -12.961 3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.245 -13.456 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.325 -12.002 2.319 1.00 0.00 H new ATOM 89 N MET A 35 2.566 -10.870 -0.101 1.00 0.00 N ATOM 90 CA MET A 35 2.864 -10.206 -1.362 1.00 0.00 C ATOM 91 C MET A 35 1.595 -9.885 -2.131 1.00 0.00 C ATOM 92 O MET A 35 0.598 -10.608 -2.060 1.00 0.00 O ATOM 93 CB MET A 35 3.759 -11.099 -2.228 1.00 0.00 C ATOM 94 CG MET A 35 5.125 -10.438 -2.418 1.00 0.00 C ATOM 95 SD MET A 35 6.133 -11.450 -3.528 1.00 0.00 S ATOM 96 CE MET A 35 6.267 -12.892 -2.444 1.00 0.00 C ATOM 0 H MET A 35 2.829 -10.341 0.731 1.00 0.00 H new ATOM 0 HA MET A 35 3.379 -9.273 -1.130 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.880 -12.074 -1.757 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.290 -11.269 -3.197 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.003 -9.437 -2.831 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.624 -10.327 -1.456 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.178 -13.442 -2.681 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.300 -12.564 -1.405 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.403 -13.540 -2.592 1.00 0.00 H new ATOM 106 N ARG A 36 1.665 -8.802 -2.884 1.00 0.00 N ATOM 107 CA ARG A 36 0.555 -8.365 -3.706 1.00 0.00 C ATOM 108 C ARG A 36 0.691 -8.971 -5.098 1.00 0.00 C ATOM 109 O ARG A 36 1.804 -9.200 -5.568 1.00 0.00 O ATOM 110 CB ARG A 36 0.580 -6.842 -3.807 1.00 0.00 C ATOM 111 CG ARG A 36 0.310 -6.232 -2.433 1.00 0.00 C ATOM 112 CD ARG A 36 0.486 -4.720 -2.517 1.00 0.00 C ATOM 113 NE ARG A 36 0.230 -4.104 -1.222 1.00 0.00 N ATOM 114 CZ ARG A 36 -0.992 -3.723 -0.864 1.00 0.00 C ATOM 115 NH1 ARG A 36 -1.996 -3.862 -1.688 1.00 0.00 N ATOM 116 NH2 ARG A 36 -1.188 -3.206 0.314 1.00 0.00 N ATOM 0 H ARG A 36 2.489 -8.204 -2.942 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.386 -8.687 -3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.548 -6.508 -4.180 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.171 -6.503 -4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.701 -6.476 -2.105 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.994 -6.650 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.498 -4.483 -2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.195 -4.310 -3.263 1.00 0.00 H new ATOM 0 HE ARG A 36 1.006 -3.962 -0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.845 -4.265 -2.613 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.931 -3.567 -1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.405 -3.094 0.959 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.124 -2.912 0.593 1.00 0.00 H new ATOM 130 N ARG A 37 -0.427 -9.200 -5.776 1.00 0.00 N ATOM 131 CA ARG A 37 -0.371 -9.748 -7.124 1.00 0.00 C ATOM 132 C ARG A 37 -1.484 -9.172 -7.978 1.00 0.00 C ATOM 133 O ARG A 37 -2.646 -9.143 -7.573 1.00 0.00 O ATOM 134 CB ARG A 37 -0.491 -11.276 -7.106 1.00 0.00 C ATOM 135 CG ARG A 37 -0.554 -11.803 -8.546 1.00 0.00 C ATOM 136 CD ARG A 37 -0.674 -13.332 -8.539 1.00 0.00 C ATOM 137 NE ARG A 37 -1.985 -13.736 -8.039 1.00 0.00 N ATOM 138 CZ ARG A 37 -2.220 -14.989 -7.647 1.00 0.00 C ATOM 139 NH1 ARG A 37 -1.269 -15.882 -7.707 1.00 0.00 N ATOM 140 NH2 ARG A 37 -3.399 -15.323 -7.198 1.00 0.00 N ATOM 0 H ARG A 37 -1.366 -9.019 -5.423 1.00 0.00 H new ATOM 0 HA ARG A 37 0.595 -9.475 -7.549 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.362 -11.712 -6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.385 -11.574 -6.559 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.406 -11.365 -9.065 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.340 -11.502 -9.092 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.527 -13.720 -9.547 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.109 -13.762 -7.915 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.735 -13.047 -7.989 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.346 -15.621 -8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.449 -16.840 -7.407 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.142 -14.626 -7.147 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.578 -16.281 -6.898 1.00 0.00 H new ATOM 154 N GLU A 38 -1.123 -8.743 -9.174 1.00 0.00 N ATOM 155 CA GLU A 38 -2.096 -8.196 -10.107 1.00 0.00 C ATOM 156 C GLU A 38 -2.015 -8.976 -11.411 1.00 0.00 C ATOM 157 O GLU A 38 -0.936 -9.404 -11.822 1.00 0.00 O ATOM 158 CB GLU A 38 -1.829 -6.710 -10.388 1.00 0.00 C ATOM 159 CG GLU A 38 -1.959 -5.892 -9.103 1.00 0.00 C ATOM 160 CD GLU A 38 -3.353 -6.059 -8.510 1.00 0.00 C ATOM 161 OE1 GLU A 38 -4.273 -6.307 -9.272 1.00 0.00 O ATOM 162 OE2 GLU A 38 -3.479 -5.937 -7.301 1.00 0.00 O ATOM 0 H GLU A 38 -0.165 -8.762 -9.523 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.089 -8.284 -9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.830 -6.586 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.534 -6.342 -11.134 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.208 -6.214 -8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.769 -4.839 -9.313 1.00 0.00 H new ATOM 169 N LEU A 39 -3.154 -9.152 -12.060 1.00 0.00 N ATOM 170 CA LEU A 39 -3.194 -9.880 -13.325 1.00 0.00 C ATOM 171 C LEU A 39 -4.107 -9.140 -14.300 1.00 0.00 C ATOM 172 O LEU A 39 -5.144 -8.614 -13.897 1.00 0.00 O ATOM 173 CB LEU A 39 -3.713 -11.310 -13.097 1.00 0.00 C ATOM 174 CG LEU A 39 -3.319 -12.206 -14.282 1.00 0.00 C ATOM 175 CD1 LEU A 39 -3.400 -13.679 -13.873 1.00 0.00 C ATOM 176 CD2 LEU A 39 -4.262 -11.965 -15.461 1.00 0.00 C ATOM 0 H LEU A 39 -4.058 -8.806 -11.739 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.188 -9.939 -13.742 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.300 -11.713 -12.172 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.797 -11.299 -12.983 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.298 -11.962 -14.576 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.119 -14.307 -14.718 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.720 -13.864 -13.042 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.419 -13.916 -13.567 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.973 -12.605 -16.295 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.284 -12.197 -15.163 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.202 -10.921 -15.768 1.00 0.00 H new ATOM 188 N ALA A 40 -3.731 -9.087 -15.577 1.00 0.00 N ATOM 189 CA ALA A 40 -4.559 -8.387 -16.559 1.00 0.00 C ATOM 190 C ALA A 40 -4.622 -9.145 -17.875 1.00 0.00 C ATOM 191 O ALA A 40 -3.625 -9.696 -18.344 1.00 0.00 O ATOM 192 CB ALA A 40 -3.998 -6.990 -16.837 1.00 0.00 C ATOM 0 H ALA A 40 -2.880 -9.509 -15.950 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.561 -8.314 -16.136 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.627 -6.485 -17.570 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.983 -6.413 -15.912 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.984 -7.076 -17.227 1.00 0.00 H new ATOM 198 N CYS A 41 -5.812 -9.163 -18.469 1.00 0.00 N ATOM 199 CA CYS A 41 -6.008 -9.849 -19.733 1.00 0.00 C ATOM 200 C CYS A 41 -5.216 -9.155 -20.826 1.00 0.00 C ATOM 201 O CYS A 41 -5.182 -7.928 -20.905 1.00 0.00 O ATOM 202 CB CYS A 41 -7.490 -9.853 -20.090 1.00 0.00 C ATOM 203 SG CYS A 41 -8.450 -10.207 -18.601 1.00 0.00 S ATOM 0 H CYS A 41 -6.647 -8.712 -18.095 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.658 -10.877 -19.640 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.780 -8.888 -20.505 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.691 -10.603 -20.855 1.00 0.00 H new ATOM 208 N GLU A 42 -4.549 -9.950 -21.641 1.00 0.00 N ATOM 209 CA GLU A 42 -3.725 -9.414 -22.709 1.00 0.00 C ATOM 210 C GLU A 42 -4.436 -8.320 -23.493 1.00 0.00 C ATOM 211 O GLU A 42 -5.592 -8.468 -23.892 1.00 0.00 O ATOM 212 CB GLU A 42 -3.319 -10.527 -23.665 1.00 0.00 C ATOM 213 CG GLU A 42 -2.319 -9.980 -24.678 1.00 0.00 C ATOM 214 CD GLU A 42 -2.012 -11.040 -25.728 1.00 0.00 C ATOM 215 OE1 GLU A 42 -2.616 -12.099 -25.667 1.00 0.00 O ATOM 216 OE2 GLU A 42 -1.173 -10.780 -26.573 1.00 0.00 O ATOM 0 H GLU A 42 -4.561 -10.968 -21.585 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.843 -8.976 -22.241 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.877 -11.355 -23.111 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.197 -10.920 -24.178 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.724 -9.088 -25.157 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.401 -9.681 -24.171 1.00 0.00 H new ATOM 223 N GLY A 43 -3.711 -7.238 -23.733 1.00 0.00 N ATOM 224 CA GLY A 43 -4.230 -6.116 -24.500 1.00 0.00 C ATOM 225 C GLY A 43 -4.808 -5.006 -23.628 1.00 0.00 C ATOM 226 O GLY A 43 -5.063 -3.910 -24.128 1.00 0.00 O ATOM 0 H GLY A 43 -2.753 -7.113 -23.404 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.430 -5.705 -25.117 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.003 -6.475 -25.179 1.00 0.00 H new ATOM 230 N TYR A 44 -5.007 -5.254 -22.333 1.00 0.00 N ATOM 231 CA TYR A 44 -5.538 -4.216 -21.454 1.00 0.00 C ATOM 232 C TYR A 44 -4.466 -3.786 -20.453 1.00 0.00 C ATOM 233 O TYR A 44 -3.615 -4.587 -20.055 1.00 0.00 O ATOM 234 CB TYR A 44 -6.766 -4.744 -20.699 1.00 0.00 C ATOM 235 CG TYR A 44 -7.693 -5.494 -21.638 1.00 0.00 C ATOM 236 CD1 TYR A 44 -7.787 -5.138 -22.993 1.00 0.00 C ATOM 237 CD2 TYR A 44 -8.466 -6.554 -21.143 1.00 0.00 C ATOM 238 CE1 TYR A 44 -8.650 -5.840 -23.843 1.00 0.00 C ATOM 239 CE2 TYR A 44 -9.329 -7.254 -21.996 1.00 0.00 C ATOM 240 CZ TYR A 44 -9.420 -6.898 -23.345 1.00 0.00 C ATOM 241 OH TYR A 44 -10.270 -7.588 -24.185 1.00 0.00 O ATOM 0 H TYR A 44 -4.813 -6.146 -21.878 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.832 -3.358 -22.058 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.447 -5.403 -19.892 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.301 -3.913 -20.239 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.194 -4.323 -23.380 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.396 -6.831 -20.102 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.722 -5.565 -24.885 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.924 -8.069 -21.611 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.729 -8.292 -23.680 1.00 0.00 H new ATOM 251 N PRO A 45 -4.487 -2.547 -20.042 1.00 0.00 N ATOM 252 CA PRO A 45 -3.492 -2.014 -19.067 1.00 0.00 C ATOM 253 C PRO A 45 -3.662 -2.599 -17.665 1.00 0.00 C ATOM 254 O PRO A 45 -4.767 -2.953 -17.255 1.00 0.00 O ATOM 255 CB PRO A 45 -3.735 -0.502 -19.090 1.00 0.00 C ATOM 256 CG PRO A 45 -5.140 -0.326 -19.562 1.00 0.00 C ATOM 257 CD PRO A 45 -5.452 -1.521 -20.464 1.00 0.00 C ATOM 0 HA PRO A 45 -2.471 -2.283 -19.338 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.597 -0.068 -18.100 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.032 -0.003 -19.757 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.830 -0.287 -18.719 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.251 0.611 -20.108 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.479 -1.862 -20.334 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.331 -1.268 -21.517 1.00 0.00 H new ATOM 265 N ILE A 46 -2.548 -2.689 -16.940 1.00 0.00 N ATOM 266 CA ILE A 46 -2.547 -3.223 -15.578 1.00 0.00 C ATOM 267 C ILE A 46 -2.124 -2.130 -14.606 1.00 0.00 C ATOM 268 O ILE A 46 -1.338 -1.252 -14.960 1.00 0.00 O ATOM 269 CB ILE A 46 -1.565 -4.391 -15.478 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.705 -5.075 -14.115 1.00 0.00 C ATOM 271 CG2 ILE A 46 -0.140 -3.859 -15.624 1.00 0.00 C ATOM 272 CD1 ILE A 46 -0.901 -6.379 -14.113 1.00 0.00 C ATOM 0 H ILE A 46 -1.630 -2.397 -17.275 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.550 -3.571 -15.330 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.780 -5.111 -16.267 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.347 -4.414 -13.326 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.755 -5.282 -13.906 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.566 -4.686 -15.554 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.031 -3.370 -16.592 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.063 -3.140 -14.830 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.000 -6.866 -13.143 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.279 -7.041 -14.892 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.150 -6.159 -14.303 1.00 0.00 H new ATOM 284 N GLU A 47 -2.652 -2.165 -13.388 1.00 0.00 N ATOM 285 CA GLU A 47 -2.310 -1.138 -12.415 1.00 0.00 C ATOM 286 C GLU A 47 -1.773 -1.735 -11.117 1.00 0.00 C ATOM 287 O GLU A 47 -2.407 -2.595 -10.500 1.00 0.00 O ATOM 288 CB GLU A 47 -3.544 -0.292 -12.110 1.00 0.00 C ATOM 289 CG GLU A 47 -3.167 0.815 -11.128 1.00 0.00 C ATOM 290 CD GLU A 47 -4.423 1.547 -10.677 1.00 0.00 C ATOM 291 OE1 GLU A 47 -5.484 0.946 -10.730 1.00 0.00 O ATOM 292 OE2 GLU A 47 -4.307 2.697 -10.286 1.00 0.00 O ATOM 0 H GLU A 47 -3.304 -2.876 -13.057 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.524 -0.521 -12.849 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.939 0.141 -13.029 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.332 -0.916 -11.687 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.652 0.391 -10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.476 1.514 -11.600 1.00 0.00 H new ATOM 299 N LEU A 48 -0.610 -1.243 -10.701 1.00 0.00 N ATOM 300 CA LEU A 48 0.026 -1.688 -9.465 1.00 0.00 C ATOM 301 C LEU A 48 0.102 -0.514 -8.493 1.00 0.00 C ATOM 302 O LEU A 48 0.420 0.600 -8.905 1.00 0.00 O ATOM 303 CB LEU A 48 1.435 -2.197 -9.775 1.00 0.00 C ATOM 304 CG LEU A 48 1.352 -3.119 -10.986 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.741 -3.657 -11.346 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.423 -4.285 -10.659 1.00 0.00 C ATOM 0 H LEU A 48 -0.085 -0.530 -11.207 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.555 -2.494 -9.017 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.105 -1.362 -9.978 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.843 -2.732 -8.917 1.00 0.00 H new ATOM 0 HG LEU A 48 0.965 -2.558 -11.837 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.664 -4.313 -12.213 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.404 -2.824 -11.580 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.144 -4.216 -10.502 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.357 -4.950 -11.520 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.817 -4.835 -9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.569 -3.903 -10.419 1.00 0.00 H new ATOM 318 N ARG A 49 -0.176 -0.740 -7.213 1.00 0.00 N ATOM 319 CA ARG A 49 -0.104 0.363 -6.248 1.00 0.00 C ATOM 320 C ARG A 49 0.318 -0.116 -4.862 1.00 0.00 C ATOM 321 O ARG A 49 -0.185 -1.116 -4.355 1.00 0.00 O ATOM 322 CB ARG A 49 -1.456 1.064 -6.123 1.00 0.00 C ATOM 323 CG ARG A 49 -1.883 1.631 -7.476 1.00 0.00 C ATOM 324 CD ARG A 49 -3.138 2.485 -7.282 1.00 0.00 C ATOM 325 NE ARG A 49 -2.814 3.694 -6.532 1.00 0.00 N ATOM 326 CZ ARG A 49 -2.203 4.721 -7.114 1.00 0.00 C ATOM 327 NH1 ARG A 49 -1.931 4.682 -8.391 1.00 0.00 N ATOM 328 NH2 ARG A 49 -1.884 5.776 -6.414 1.00 0.00 N ATOM 0 H ARG A 49 -0.445 -1.644 -6.824 1.00 0.00 H new ATOM 0 HA ARG A 49 0.647 1.056 -6.628 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.206 0.361 -5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.391 1.866 -5.388 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.080 2.232 -7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.083 0.821 -8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.559 2.752 -8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.898 1.912 -6.751 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.061 3.752 -5.544 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.188 3.863 -8.942 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.462 5.471 -8.837 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.104 5.813 -5.419 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.415 6.563 -6.863 1.00 0.00 H new ATOM 342 N CYS A 50 1.234 0.629 -4.248 1.00 0.00 N ATOM 343 CA CYS A 50 1.710 0.297 -2.911 1.00 0.00 C ATOM 344 C CYS A 50 1.023 1.170 -1.861 1.00 0.00 C ATOM 345 O CYS A 50 0.748 2.345 -2.100 1.00 0.00 O ATOM 346 CB CYS A 50 3.222 0.495 -2.820 1.00 0.00 C ATOM 347 SG CYS A 50 4.055 -1.003 -3.398 1.00 0.00 S ATOM 0 H CYS A 50 1.659 1.463 -4.654 1.00 0.00 H new ATOM 0 HA CYS A 50 1.469 -0.749 -2.719 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.526 1.350 -3.424 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.511 0.712 -1.792 1.00 0.00 H new ATOM 352 N PRO A 51 0.750 0.613 -0.713 1.00 0.00 N ATOM 353 CA PRO A 51 0.083 1.339 0.414 1.00 0.00 C ATOM 354 C PRO A 51 1.003 2.359 1.079 1.00 0.00 C ATOM 355 O PRO A 51 2.225 2.253 0.994 1.00 0.00 O ATOM 356 CB PRO A 51 -0.261 0.224 1.400 1.00 0.00 C ATOM 357 CG PRO A 51 0.759 -0.832 1.147 1.00 0.00 C ATOM 358 CD PRO A 51 1.050 -0.782 -0.352 1.00 0.00 C ATOM 0 HA PRO A 51 -0.779 1.911 0.070 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.217 0.578 2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.270 -0.153 1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.664 -0.648 1.727 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.386 -1.813 1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.087 -1.039 -0.568 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.426 -1.483 -0.906 1.00 0.00 H new ATOM 366 N GLY A 52 0.408 3.324 1.770 1.00 0.00 N ATOM 367 CA GLY A 52 1.181 4.334 2.482 1.00 0.00 C ATOM 368 C GLY A 52 2.247 4.959 1.593 1.00 0.00 C ATOM 369 O GLY A 52 1.975 5.378 0.468 1.00 0.00 O ATOM 0 H GLY A 52 -0.603 3.428 1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.512 5.112 2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.654 3.882 3.354 1.00 0.00 H new ATOM 373 N SER A 53 3.467 5.018 2.115 1.00 0.00 N ATOM 374 CA SER A 53 4.581 5.593 1.376 1.00 0.00 C ATOM 375 C SER A 53 5.549 4.508 0.928 1.00 0.00 C ATOM 376 O SER A 53 6.722 4.775 0.666 1.00 0.00 O ATOM 377 CB SER A 53 5.308 6.621 2.238 1.00 0.00 C ATOM 378 OG SER A 53 6.018 5.958 3.279 1.00 0.00 O ATOM 0 H SER A 53 3.708 4.675 3.045 1.00 0.00 H new ATOM 0 HA SER A 53 4.185 6.088 0.489 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.999 7.200 1.625 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.592 7.324 2.664 1.00 0.00 H new ATOM 0 HG SER A 53 6.485 6.620 3.830 1.00 0.00 H new ATOM 384 N ASP A 54 5.044 3.287 0.814 1.00 0.00 N ATOM 385 CA ASP A 54 5.865 2.181 0.362 1.00 0.00 C ATOM 386 C ASP A 54 6.027 2.274 -1.148 1.00 0.00 C ATOM 387 O ASP A 54 5.290 3.008 -1.806 1.00 0.00 O ATOM 388 CB ASP A 54 5.216 0.857 0.755 1.00 0.00 C ATOM 389 CG ASP A 54 5.190 0.733 2.275 1.00 0.00 C ATOM 390 OD1 ASP A 54 6.112 1.227 2.903 1.00 0.00 O ATOM 391 OD2 ASP A 54 4.245 0.155 2.791 1.00 0.00 O ATOM 0 H ASP A 54 4.077 3.042 1.027 1.00 0.00 H new ATOM 0 HA ASP A 54 6.847 2.229 0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.202 0.805 0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.771 0.025 0.321 1.00 0.00 H new ATOM 396 N VAL A 55 6.974 1.536 -1.703 1.00 0.00 N ATOM 397 CA VAL A 55 7.180 1.571 -3.140 1.00 0.00 C ATOM 398 C VAL A 55 7.161 0.160 -3.706 1.00 0.00 C ATOM 399 O VAL A 55 7.553 -0.798 -3.029 1.00 0.00 O ATOM 400 CB VAL A 55 8.502 2.266 -3.472 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.508 3.659 -2.838 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.673 1.451 -2.921 1.00 0.00 C ATOM 0 H VAL A 55 7.602 0.916 -1.191 1.00 0.00 H new ATOM 0 HA VAL A 55 6.370 2.139 -3.597 1.00 0.00 H new ATOM 0 HB VAL A 55 8.605 2.350 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.447 4.160 -3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.677 4.243 -3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.404 3.567 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.610 1.952 -3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.577 1.361 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.668 0.457 -3.369 1.00 0.00 H new ATOM 412 N ILE A 56 6.678 0.045 -4.941 1.00 0.00 N ATOM 413 CA ILE A 56 6.578 -1.251 -5.600 1.00 0.00 C ATOM 414 C ILE A 56 7.948 -1.820 -5.959 1.00 0.00 C ATOM 415 O ILE A 56 8.804 -1.120 -6.499 1.00 0.00 O ATOM 416 CB ILE A 56 5.736 -1.136 -6.880 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.306 -0.692 -6.539 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.692 -2.500 -7.573 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.492 -0.547 -7.832 1.00 0.00 C ATOM 0 H ILE A 56 6.351 0.832 -5.502 1.00 0.00 H new ATOM 0 HA ILE A 56 6.099 -1.929 -4.894 1.00 0.00 H new ATOM 0 HB ILE A 56 6.187 -0.395 -7.540 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.835 -1.421 -5.880 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.327 0.256 -6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.096 -2.427 -8.483 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.705 -2.812 -7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.243 -3.234 -6.903 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.477 -0.232 -7.590 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.960 0.199 -8.475 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.460 -1.505 -8.351 1.00 0.00 H new ATOM 431 N MET A 57 8.121 -3.113 -5.698 1.00 0.00 N ATOM 432 CA MET A 57 9.358 -3.809 -6.037 1.00 0.00 C ATOM 433 C MET A 57 8.998 -5.136 -6.695 1.00 0.00 C ATOM 434 O MET A 57 8.532 -6.069 -6.038 1.00 0.00 O ATOM 435 CB MET A 57 10.238 -4.047 -4.807 1.00 0.00 C ATOM 436 CG MET A 57 9.377 -4.396 -3.595 1.00 0.00 C ATOM 437 SD MET A 57 10.425 -5.141 -2.318 1.00 0.00 S ATOM 438 CE MET A 57 11.692 -3.846 -2.263 1.00 0.00 C ATOM 0 H MET A 57 7.417 -3.701 -5.251 1.00 0.00 H new ATOM 0 HA MET A 57 9.935 -3.187 -6.721 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.941 -4.856 -5.006 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.829 -3.155 -4.597 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.892 -3.500 -3.208 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.585 -5.088 -3.883 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.201 -3.876 -1.300 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.416 -4.011 -3.061 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.222 -2.871 -2.395 1.00 0.00 H new ATOM 448 N VAL A 58 9.192 -5.185 -8.003 1.00 0.00 N ATOM 449 CA VAL A 58 8.859 -6.378 -8.776 1.00 0.00 C ATOM 450 C VAL A 58 9.725 -7.569 -8.367 1.00 0.00 C ATOM 451 O VAL A 58 10.953 -7.498 -8.391 1.00 0.00 O ATOM 452 CB VAL A 58 9.027 -6.101 -10.269 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.541 -7.311 -11.071 1.00 0.00 C ATOM 454 CG2 VAL A 58 8.192 -4.877 -10.646 1.00 0.00 C ATOM 0 H VAL A 58 9.577 -4.417 -8.553 1.00 0.00 H new ATOM 0 HA VAL A 58 7.819 -6.630 -8.569 1.00 0.00 H new ATOM 0 HB VAL A 58 10.078 -5.916 -10.492 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.661 -7.113 -12.136 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.127 -8.188 -10.797 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.489 -7.494 -10.852 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.306 -4.672 -11.710 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.142 -5.070 -10.424 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.531 -4.014 -10.072 1.00 0.00 H new ATOM 464 N GLU A 59 9.064 -8.661 -7.990 1.00 0.00 N ATOM 465 CA GLU A 59 9.767 -9.869 -7.574 1.00 0.00 C ATOM 466 C GLU A 59 9.739 -10.908 -8.693 1.00 0.00 C ATOM 467 O GLU A 59 10.779 -11.432 -9.093 1.00 0.00 O ATOM 468 CB GLU A 59 9.104 -10.436 -6.317 1.00 0.00 C ATOM 469 CG GLU A 59 9.311 -9.463 -5.157 1.00 0.00 C ATOM 470 CD GLU A 59 10.801 -9.259 -4.916 1.00 0.00 C ATOM 471 OE1 GLU A 59 11.491 -10.249 -4.738 1.00 0.00 O ATOM 472 OE2 GLU A 59 11.233 -8.120 -4.913 1.00 0.00 O ATOM 0 H GLU A 59 8.047 -8.733 -7.964 1.00 0.00 H new ATOM 0 HA GLU A 59 10.806 -9.621 -7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.039 -10.591 -6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.532 -11.408 -6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.835 -8.508 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.837 -9.851 -4.255 1.00 0.00 H new ATOM 479 N ASN A 60 8.539 -11.211 -9.188 1.00 0.00 N ATOM 480 CA ASN A 60 8.382 -12.203 -10.251 1.00 0.00 C ATOM 481 C ASN A 60 7.216 -11.824 -11.155 1.00 0.00 C ATOM 482 O ASN A 60 6.206 -11.299 -10.691 1.00 0.00 O ATOM 483 CB ASN A 60 8.099 -13.575 -9.636 1.00 0.00 C ATOM 484 CG ASN A 60 9.160 -13.918 -8.602 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.347 -13.974 -8.922 1.00 0.00 O ATOM 486 ND2 ASN A 60 8.802 -14.144 -7.367 1.00 0.00 N ATOM 0 H ASN A 60 7.667 -10.787 -8.872 1.00 0.00 H new ATOM 0 HA ASN A 60 9.302 -12.236 -10.835 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.114 -13.576 -9.170 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.083 -14.335 -10.417 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.507 -14.368 -6.664 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.817 -14.097 -7.105 1.00 0.00 H new ATOM 493 N ALA A 61 7.364 -12.084 -12.450 1.00 0.00 N ATOM 494 CA ALA A 61 6.314 -11.754 -13.404 1.00 0.00 C ATOM 495 C ALA A 61 6.551 -12.458 -14.736 1.00 0.00 C ATOM 496 O ALA A 61 7.686 -12.795 -15.077 1.00 0.00 O ATOM 497 CB ALA A 61 6.286 -10.241 -13.630 1.00 0.00 C ATOM 0 H ALA A 61 8.192 -12.518 -12.859 1.00 0.00 H new ATOM 0 HA ALA A 61 5.360 -12.088 -12.997 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.500 -9.994 -14.344 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.089 -9.735 -12.685 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.249 -9.914 -14.023 1.00 0.00 H new ATOM 503 N ASN A 62 5.475 -12.682 -15.482 1.00 0.00 N ATOM 504 CA ASN A 62 5.584 -13.354 -16.771 1.00 0.00 C ATOM 505 C ASN A 62 4.504 -12.886 -17.734 1.00 0.00 C ATOM 506 O ASN A 62 3.371 -12.616 -17.330 1.00 0.00 O ATOM 507 CB ASN A 62 5.448 -14.864 -16.587 1.00 0.00 C ATOM 508 CG ASN A 62 5.520 -15.554 -17.944 1.00 0.00 C ATOM 509 OD1 ASN A 62 6.609 -15.764 -18.479 1.00 0.00 O ATOM 510 ND2 ASN A 62 4.417 -15.906 -18.547 1.00 0.00 N ATOM 0 H ASN A 62 4.527 -12.411 -15.220 1.00 0.00 H new ATOM 0 HA ASN A 62 6.561 -13.108 -17.186 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.241 -15.234 -15.937 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.502 -15.097 -16.099 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.457 -16.355 -19.462 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.515 -15.732 -18.103 1.00 0.00 H new ATOM 517 N TYR A 63 4.841 -12.828 -19.020 1.00 0.00 N ATOM 518 CA TYR A 63 3.874 -12.434 -20.031 1.00 0.00 C ATOM 519 C TYR A 63 3.648 -13.601 -20.985 1.00 0.00 C ATOM 520 O TYR A 63 4.578 -14.070 -21.640 1.00 0.00 O ATOM 521 CB TYR A 63 4.377 -11.215 -20.808 1.00 0.00 C ATOM 522 CG TYR A 63 3.428 -10.920 -21.944 1.00 0.00 C ATOM 523 CD1 TYR A 63 2.117 -10.501 -21.681 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.860 -11.068 -23.268 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.239 -10.234 -22.743 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.984 -10.800 -24.327 1.00 0.00 C ATOM 527 CZ TYR A 63 1.673 -10.384 -24.064 1.00 0.00 C ATOM 528 OH TYR A 63 0.812 -10.126 -25.111 1.00 0.00 O ATOM 0 H TYR A 63 5.769 -13.048 -19.381 1.00 0.00 H new ATOM 0 HA TYR A 63 2.936 -12.167 -19.545 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.449 -10.352 -20.146 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.378 -11.404 -21.195 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.782 -10.383 -20.661 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.871 -11.389 -23.473 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.228 -9.913 -22.540 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.320 -10.914 -25.347 1.00 0.00 H new ATOM 0 HH TYR A 63 1.275 -10.280 -25.961 1.00 0.00 H new ATOM 538 N GLY A 64 2.413 -14.083 -21.033 1.00 0.00 N ATOM 539 CA GLY A 64 2.094 -15.218 -21.887 1.00 0.00 C ATOM 540 C GLY A 64 0.802 -15.882 -21.429 1.00 0.00 C ATOM 541 O GLY A 64 -0.194 -15.213 -21.163 1.00 0.00 O ATOM 0 H GLY A 64 1.627 -13.712 -20.499 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.993 -14.886 -22.920 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.910 -15.940 -21.862 1.00 0.00 H new ATOM 545 N ARG A 65 0.839 -17.206 -21.344 1.00 0.00 N ATOM 546 CA ARG A 65 -0.324 -17.974 -20.920 1.00 0.00 C ATOM 547 C ARG A 65 0.105 -19.332 -20.388 1.00 0.00 C ATOM 548 O ARG A 65 0.656 -20.154 -21.120 1.00 0.00 O ATOM 549 CB ARG A 65 -1.292 -18.164 -22.089 1.00 0.00 C ATOM 550 CG ARG A 65 -2.424 -19.105 -21.667 1.00 0.00 C ATOM 551 CD ARG A 65 -3.739 -18.637 -22.294 1.00 0.00 C ATOM 552 NE ARG A 65 -4.179 -17.390 -21.671 1.00 0.00 N ATOM 553 CZ ARG A 65 -5.256 -17.336 -20.888 1.00 0.00 C ATOM 554 NH1 ARG A 65 -5.942 -18.417 -20.625 1.00 0.00 N ATOM 555 NH2 ARG A 65 -5.622 -16.194 -20.371 1.00 0.00 N ATOM 0 H ARG A 65 1.661 -17.769 -21.563 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.828 -17.422 -20.126 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.701 -17.201 -22.397 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.764 -18.576 -22.949 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.201 -20.124 -21.983 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.512 -19.120 -20.581 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.607 -18.490 -23.366 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.503 -19.404 -22.169 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.646 -16.537 -21.840 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.654 -19.312 -21.020 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.765 -18.365 -20.025 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.084 -15.350 -20.567 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.445 -16.146 -19.771 1.00 0.00 H new ATOM 569 N THR A 66 -0.165 -19.567 -19.112 1.00 0.00 N ATOM 570 CA THR A 66 0.183 -20.840 -18.496 1.00 0.00 C ATOM 571 C THR A 66 -1.067 -21.491 -17.926 1.00 0.00 C ATOM 572 O THR A 66 -0.992 -22.499 -17.222 1.00 0.00 O ATOM 573 CB THR A 66 1.205 -20.634 -17.379 1.00 0.00 C ATOM 574 OG1 THR A 66 0.560 -20.055 -16.255 1.00 0.00 O ATOM 575 CG2 THR A 66 2.319 -19.708 -17.866 1.00 0.00 C ATOM 0 H THR A 66 -0.619 -18.900 -18.488 1.00 0.00 H new ATOM 0 HA THR A 66 0.620 -21.487 -19.257 1.00 0.00 H new ATOM 0 HB THR A 66 1.636 -21.595 -17.097 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.043 -19.274 -16.541 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.047 -19.563 -17.067 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.812 -20.155 -18.729 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.894 -18.745 -18.149 1.00 0.00 H new ATOM 583 N ASP A 67 -2.217 -20.916 -18.252 1.00 0.00 N ATOM 584 CA ASP A 67 -3.485 -21.450 -17.783 1.00 0.00 C ATOM 585 C ASP A 67 -4.547 -21.258 -18.859 1.00 0.00 C ATOM 586 O ASP A 67 -4.232 -20.909 -19.997 1.00 0.00 O ATOM 587 CB ASP A 67 -3.913 -20.750 -16.489 1.00 0.00 C ATOM 588 CG ASP A 67 -4.904 -21.627 -15.730 1.00 0.00 C ATOM 589 OD1 ASP A 67 -4.605 -22.796 -15.544 1.00 0.00 O ATOM 590 OD2 ASP A 67 -5.946 -21.119 -15.347 1.00 0.00 O ATOM 0 H ASP A 67 -2.296 -20.084 -18.837 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.369 -22.514 -17.577 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.040 -20.550 -15.867 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.368 -19.787 -16.719 1.00 0.00 H new ATOM 595 N ASP A 68 -5.799 -21.488 -18.495 1.00 0.00 N ATOM 596 CA ASP A 68 -6.893 -21.338 -19.446 1.00 0.00 C ATOM 597 C ASP A 68 -8.160 -20.887 -18.731 1.00 0.00 C ATOM 598 O ASP A 68 -9.202 -20.702 -19.355 1.00 0.00 O ATOM 599 CB ASP A 68 -7.142 -22.667 -20.162 1.00 0.00 C ATOM 600 CG ASP A 68 -7.684 -23.697 -19.178 1.00 0.00 C ATOM 601 OD1 ASP A 68 -8.493 -23.322 -18.348 1.00 0.00 O ATOM 602 OD2 ASP A 68 -7.267 -24.841 -19.258 1.00 0.00 O ATOM 0 H ASP A 68 -6.083 -21.776 -17.559 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.619 -20.580 -20.180 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.851 -22.523 -20.977 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.215 -23.029 -20.606 1.00 0.00 H new ATOM 607 N LYS A 69 -8.058 -20.715 -17.418 1.00 0.00 N ATOM 608 CA LYS A 69 -9.199 -20.281 -16.624 1.00 0.00 C ATOM 609 C LYS A 69 -9.104 -18.797 -16.296 1.00 0.00 C ATOM 610 O LYS A 69 -9.891 -18.285 -15.501 1.00 0.00 O ATOM 611 CB LYS A 69 -9.260 -21.058 -15.311 1.00 0.00 C ATOM 612 CG LYS A 69 -9.442 -22.545 -15.590 1.00 0.00 C ATOM 613 CD LYS A 69 -9.786 -23.250 -14.278 1.00 0.00 C ATOM 614 CE LYS A 69 -9.738 -24.763 -14.473 1.00 0.00 C ATOM 615 NZ LYS A 69 -8.733 -25.341 -13.539 1.00 0.00 N ATOM 0 H LYS A 69 -7.202 -20.869 -16.884 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.096 -20.468 -17.214 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.345 -20.896 -14.741 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.085 -20.691 -14.700 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.236 -22.698 -16.321 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.531 -22.964 -16.017 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.083 -22.952 -13.500 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.779 -22.949 -13.943 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.720 -25.198 -14.286 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.475 -25.002 -15.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.694 -26.373 -13.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.798 -24.932 -13.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.004 -25.123 -12.559 1.00 0.00 H new ATOM 629 N ILE A 70 -8.134 -18.108 -16.886 1.00 0.00 N ATOM 630 CA ILE A 70 -7.960 -16.688 -16.611 1.00 0.00 C ATOM 631 C ILE A 70 -8.303 -15.851 -17.828 1.00 0.00 C ATOM 632 O ILE A 70 -7.920 -16.177 -18.953 1.00 0.00 O ATOM 633 CB ILE A 70 -6.513 -16.398 -16.221 1.00 0.00 C ATOM 634 CG1 ILE A 70 -6.093 -17.304 -15.063 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.391 -14.934 -15.796 1.00 0.00 C ATOM 636 CD1 ILE A 70 -7.080 -17.159 -13.908 1.00 0.00 C ATOM 0 H ILE A 70 -7.466 -18.502 -17.548 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.631 -16.429 -15.792 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.863 -16.589 -17.075 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.058 -18.342 -15.395 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.089 -17.042 -14.730 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.359 -14.721 -15.516 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.683 -14.289 -16.625 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.044 -14.747 -14.944 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.776 -17.807 -13.086 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.093 -16.123 -13.568 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.077 -17.443 -14.244 1.00 0.00 H new ATOM 648 N CYS A 71 -9.025 -14.767 -17.590 1.00 0.00 N ATOM 649 CA CYS A 71 -9.412 -13.877 -18.668 1.00 0.00 C ATOM 650 C CYS A 71 -10.076 -14.673 -19.785 1.00 0.00 C ATOM 651 O CYS A 71 -9.455 -15.001 -20.796 1.00 0.00 O ATOM 652 CB CYS A 71 -8.178 -13.146 -19.182 1.00 0.00 C ATOM 653 SG CYS A 71 -7.659 -11.940 -17.940 1.00 0.00 S ATOM 0 H CYS A 71 -9.352 -14.485 -16.666 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.129 -13.143 -18.302 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.374 -13.855 -19.379 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.400 -12.646 -20.125 1.00 0.00 H new ATOM 658 N ASP A 72 -11.343 -14.997 -19.561 1.00 0.00 N ATOM 659 CA ASP A 72 -12.118 -15.783 -20.511 1.00 0.00 C ATOM 660 C ASP A 72 -12.147 -15.161 -21.907 1.00 0.00 C ATOM 661 O ASP A 72 -12.530 -14.004 -22.091 1.00 0.00 O ATOM 662 CB ASP A 72 -13.538 -15.977 -19.981 1.00 0.00 C ATOM 663 CG ASP A 72 -14.247 -14.633 -19.834 1.00 0.00 C ATOM 664 OD1 ASP A 72 -13.677 -13.634 -20.243 1.00 0.00 O ATOM 665 OD2 ASP A 72 -15.352 -14.624 -19.316 1.00 0.00 O ATOM 0 H ASP A 72 -11.858 -14.725 -18.724 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.627 -16.751 -20.612 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.100 -16.618 -20.660 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.506 -16.484 -19.017 1.00 0.00 H new ATOM 670 N ALA A 73 -11.738 -15.971 -22.879 1.00 0.00 N ATOM 671 CA ALA A 73 -11.700 -15.570 -24.279 1.00 0.00 C ATOM 672 C ALA A 73 -12.051 -16.779 -25.152 1.00 0.00 C ATOM 673 O ALA A 73 -12.575 -17.770 -24.648 1.00 0.00 O ATOM 674 CB ALA A 73 -10.300 -15.051 -24.617 1.00 0.00 C ATOM 0 H ALA A 73 -11.423 -16.927 -22.716 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.422 -14.775 -24.466 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.267 -14.750 -25.664 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.067 -14.194 -23.985 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.568 -15.839 -24.443 1.00 0.00 H new ATOM 680 N ASP A 74 -11.765 -16.710 -26.451 1.00 0.00 N ATOM 681 CA ASP A 74 -12.066 -17.832 -27.345 1.00 0.00 C ATOM 682 C ASP A 74 -11.228 -19.064 -26.968 1.00 0.00 C ATOM 683 O ASP A 74 -10.070 -18.945 -26.564 1.00 0.00 O ATOM 684 CB ASP A 74 -11.802 -17.432 -28.800 1.00 0.00 C ATOM 685 CG ASP A 74 -10.598 -16.501 -28.878 1.00 0.00 C ATOM 686 OD1 ASP A 74 -10.081 -16.139 -27.835 1.00 0.00 O ATOM 687 OD2 ASP A 74 -10.207 -16.164 -29.982 1.00 0.00 O ATOM 0 H ASP A 74 -11.333 -15.905 -26.904 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.120 -18.089 -27.237 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.623 -18.322 -29.403 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.681 -16.938 -29.214 1.00 0.00 H new ATOM 692 N PRO A 75 -11.796 -20.238 -27.074 1.00 0.00 N ATOM 693 CA PRO A 75 -11.098 -21.504 -26.710 1.00 0.00 C ATOM 694 C PRO A 75 -9.840 -21.770 -27.533 1.00 0.00 C ATOM 695 O PRO A 75 -8.861 -22.291 -27.008 1.00 0.00 O ATOM 696 CB PRO A 75 -12.139 -22.604 -26.939 1.00 0.00 C ATOM 697 CG PRO A 75 -13.221 -21.994 -27.768 1.00 0.00 C ATOM 698 CD PRO A 75 -13.162 -20.482 -27.557 1.00 0.00 C ATOM 0 HA PRO A 75 -10.741 -21.456 -25.681 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.695 -23.459 -27.448 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.535 -22.968 -25.991 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.083 -22.240 -28.821 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.195 -22.385 -27.475 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.359 -19.943 -28.484 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -13.906 -20.152 -26.832 1.00 0.00 H new ATOM 706 N PHE A 76 -9.861 -21.401 -28.813 1.00 0.00 N ATOM 707 CA PHE A 76 -8.698 -21.617 -29.673 1.00 0.00 C ATOM 708 C PHE A 76 -7.504 -20.823 -29.163 1.00 0.00 C ATOM 709 O PHE A 76 -6.363 -21.286 -29.230 1.00 0.00 O ATOM 710 CB PHE A 76 -9.017 -21.196 -31.112 1.00 0.00 C ATOM 711 CG PHE A 76 -9.954 -22.205 -31.733 1.00 0.00 C ATOM 712 CD1 PHE A 76 -9.438 -23.331 -32.387 1.00 0.00 C ATOM 713 CD2 PHE A 76 -11.340 -22.018 -31.651 1.00 0.00 C ATOM 714 CE1 PHE A 76 -10.309 -24.270 -32.956 1.00 0.00 C ATOM 715 CE2 PHE A 76 -12.208 -22.956 -32.221 1.00 0.00 C ATOM 716 CZ PHE A 76 -11.693 -24.083 -32.874 1.00 0.00 C ATOM 0 H PHE A 76 -10.657 -20.958 -29.272 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.452 -22.679 -29.655 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.473 -20.206 -31.121 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.099 -21.129 -31.695 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.370 -23.475 -32.453 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.739 -21.150 -31.148 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.911 -25.139 -33.459 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.276 -22.811 -32.157 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.363 -24.807 -33.314 1.00 0.00 H new ATOM 726 N GLN A 77 -7.771 -19.633 -28.641 1.00 0.00 N ATOM 727 CA GLN A 77 -6.706 -18.794 -28.115 1.00 0.00 C ATOM 728 C GLN A 77 -6.417 -19.149 -26.664 1.00 0.00 C ATOM 729 O GLN A 77 -5.402 -18.740 -26.107 1.00 0.00 O ATOM 730 CB GLN A 77 -7.111 -17.324 -28.204 1.00 0.00 C ATOM 731 CG GLN A 77 -7.405 -16.975 -29.661 1.00 0.00 C ATOM 732 CD GLN A 77 -7.610 -15.473 -29.826 1.00 0.00 C ATOM 733 OE1 GLN A 77 -7.561 -14.689 -28.784 1.00 0.00 O flip ATOM 734 NE2 GLN A 77 -7.813 -14.998 -30.943 1.00 0.00 N flip ATOM 0 H GLN A 77 -8.706 -19.231 -28.571 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.808 -18.963 -28.709 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.991 -17.138 -27.588 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.312 -16.690 -27.819 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.581 -17.306 -30.293 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.296 -17.507 -29.995 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.851 -15.610 -31.758 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.943 -13.992 -31.054 1.00 0.00 H new ATOM 743 N MET A 78 -7.323 -19.901 -26.055 1.00 0.00 N ATOM 744 CA MET A 78 -7.156 -20.292 -24.664 1.00 0.00 C ATOM 745 C MET A 78 -6.771 -21.759 -24.526 1.00 0.00 C ATOM 746 O MET A 78 -6.578 -22.247 -23.411 1.00 0.00 O ATOM 747 CB MET A 78 -8.447 -20.047 -23.897 1.00 0.00 C ATOM 748 CG MET A 78 -8.629 -18.545 -23.697 1.00 0.00 C ATOM 749 SD MET A 78 -9.983 -18.242 -22.533 1.00 0.00 S ATOM 750 CE MET A 78 -9.076 -18.559 -20.995 1.00 0.00 C ATOM 0 H MET A 78 -8.173 -20.249 -26.498 1.00 0.00 H new ATOM 0 HA MET A 78 -6.349 -19.686 -24.253 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.294 -20.459 -24.445 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.414 -20.554 -22.933 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.706 -18.105 -23.319 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.843 -18.065 -24.652 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.784 -18.740 -20.186 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.439 -19.434 -21.122 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.459 -17.694 -20.751 1.00 0.00 H new ATOM 760 N GLU A 79 -6.693 -22.475 -25.638 1.00 0.00 N ATOM 761 CA GLU A 79 -6.366 -23.897 -25.568 1.00 0.00 C ATOM 762 C GLU A 79 -4.945 -24.131 -25.051 1.00 0.00 C ATOM 763 O GLU A 79 -4.731 -25.019 -24.225 1.00 0.00 O ATOM 764 CB GLU A 79 -6.501 -24.559 -26.946 1.00 0.00 C ATOM 765 CG GLU A 79 -7.974 -24.811 -27.289 1.00 0.00 C ATOM 766 CD GLU A 79 -8.122 -26.199 -27.902 1.00 0.00 C ATOM 767 OE1 GLU A 79 -7.286 -26.554 -28.717 1.00 0.00 O ATOM 768 OE2 GLU A 79 -9.066 -26.886 -27.549 1.00 0.00 O ATOM 0 H GLU A 79 -6.847 -22.110 -26.578 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.074 -24.344 -24.870 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.050 -23.921 -27.706 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.954 -25.502 -26.956 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.587 -24.731 -26.391 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.331 -24.053 -27.987 1.00 0.00 H new ATOM 775 N ASN A 80 -3.971 -23.371 -25.549 1.00 0.00 N ATOM 776 CA ASN A 80 -2.572 -23.552 -25.138 1.00 0.00 C ATOM 777 C ASN A 80 -2.256 -22.877 -23.801 1.00 0.00 C ATOM 778 O ASN A 80 -2.411 -21.669 -23.646 1.00 0.00 O ATOM 779 CB ASN A 80 -1.655 -22.970 -26.214 1.00 0.00 C ATOM 780 CG ASN A 80 -0.206 -23.369 -25.953 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.126 -24.555 -25.962 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.680 -22.439 -25.722 1.00 0.00 N ATOM 0 H ASN A 80 -4.119 -22.628 -26.233 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.407 -24.622 -25.013 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.965 -23.326 -27.196 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.743 -21.884 -26.226 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.652 -22.693 -25.548 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.400 -21.458 -25.716 1.00 0.00 H new ATOM 789 N VAL A 81 -1.810 -23.687 -22.845 1.00 0.00 N ATOM 790 CA VAL A 81 -1.459 -23.194 -21.512 1.00 0.00 C ATOM 791 C VAL A 81 0.053 -23.248 -21.270 1.00 0.00 C ATOM 792 O VAL A 81 0.495 -23.495 -20.148 1.00 0.00 O ATOM 793 CB VAL A 81 -2.153 -24.037 -20.450 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.658 -24.065 -20.714 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.595 -25.460 -20.511 1.00 0.00 C ATOM 0 H VAL A 81 -1.682 -24.692 -22.967 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.786 -22.156 -21.450 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.975 -23.609 -19.464 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.150 -24.669 -19.952 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.052 -23.049 -20.682 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.847 -24.497 -21.697 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.083 -26.075 -19.755 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.782 -25.882 -21.499 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.522 -25.438 -20.323 1.00 0.00 H new ATOM 805 N GLN A 82 0.846 -23.025 -22.313 1.00 0.00 N ATOM 806 CA GLN A 82 2.300 -23.063 -22.172 1.00 0.00 C ATOM 807 C GLN A 82 2.955 -21.944 -22.980 1.00 0.00 C ATOM 808 O GLN A 82 3.284 -22.117 -24.156 1.00 0.00 O ATOM 809 CB GLN A 82 2.832 -24.418 -22.640 1.00 0.00 C ATOM 810 CG GLN A 82 2.360 -25.515 -21.679 1.00 0.00 C ATOM 811 CD GLN A 82 2.893 -25.267 -20.271 1.00 0.00 C ATOM 812 OE1 GLN A 82 4.079 -24.986 -20.093 1.00 0.00 O ATOM 813 NE2 GLN A 82 2.080 -25.363 -19.254 1.00 0.00 N ATOM 0 H GLN A 82 0.513 -22.818 -23.255 1.00 0.00 H new ATOM 0 HA GLN A 82 2.547 -22.919 -21.120 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.480 -24.629 -23.650 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.921 -24.399 -22.679 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.271 -25.545 -21.660 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.699 -26.488 -22.035 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.099 -25.596 -19.406 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.426 -25.205 -18.308 1.00 0.00 H new ATOM 822 N CYS A 83 3.131 -20.796 -22.337 1.00 0.00 N ATOM 823 CA CYS A 83 3.737 -19.636 -22.980 1.00 0.00 C ATOM 824 C CYS A 83 4.417 -18.762 -21.925 1.00 0.00 C ATOM 825 O CYS A 83 3.759 -18.279 -21.002 1.00 0.00 O ATOM 826 CB CYS A 83 2.637 -18.855 -23.691 1.00 0.00 C ATOM 827 SG CYS A 83 3.274 -17.289 -24.314 1.00 0.00 S ATOM 0 H CYS A 83 2.861 -20.643 -21.365 1.00 0.00 H new ATOM 0 HA CYS A 83 4.490 -19.949 -23.703 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.239 -19.446 -24.516 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.812 -18.671 -23.003 1.00 0.00 H new ATOM 832 N TYR A 84 5.730 -18.572 -22.043 1.00 0.00 N ATOM 833 CA TYR A 84 6.457 -17.768 -21.061 1.00 0.00 C ATOM 834 C TYR A 84 7.377 -16.752 -21.735 1.00 0.00 C ATOM 835 O TYR A 84 7.841 -16.963 -22.852 1.00 0.00 O ATOM 836 CB TYR A 84 7.302 -18.691 -20.176 1.00 0.00 C ATOM 837 CG TYR A 84 6.432 -19.805 -19.644 1.00 0.00 C ATOM 838 CD1 TYR A 84 6.039 -20.847 -20.492 1.00 0.00 C ATOM 839 CD2 TYR A 84 6.008 -19.790 -18.311 1.00 0.00 C ATOM 840 CE1 TYR A 84 5.226 -21.876 -20.006 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.192 -20.818 -17.826 1.00 0.00 C ATOM 842 CZ TYR A 84 4.801 -21.860 -18.674 1.00 0.00 C ATOM 843 OH TYR A 84 3.994 -22.872 -18.197 1.00 0.00 O ATOM 0 H TYR A 84 6.304 -18.956 -22.794 1.00 0.00 H new ATOM 0 HA TYR A 84 5.724 -17.225 -20.464 1.00 0.00 H new ATOM 0 HB2 TYR A 84 8.132 -19.104 -20.749 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.735 -18.126 -19.350 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.364 -20.856 -21.522 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.310 -18.986 -17.657 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.927 -22.682 -20.659 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.864 -20.807 -16.797 1.00 0.00 H new ATOM 0 HH TYR A 84 4.130 -23.680 -18.735 1.00 0.00 H new ATOM 853 N LEU A 85 7.658 -15.660 -21.028 1.00 0.00 N ATOM 854 CA LEU A 85 8.552 -14.628 -21.536 1.00 0.00 C ATOM 855 C LEU A 85 9.358 -14.056 -20.374 1.00 0.00 C ATOM 856 O LEU A 85 8.880 -13.186 -19.647 1.00 0.00 O ATOM 857 CB LEU A 85 7.766 -13.510 -22.233 1.00 0.00 C ATOM 858 CG LEU A 85 8.738 -12.426 -22.711 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.530 -12.944 -23.915 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.954 -11.176 -23.117 1.00 0.00 C ATOM 0 H LEU A 85 7.278 -15.469 -20.101 1.00 0.00 H new ATOM 0 HA LEU A 85 9.223 -15.072 -22.272 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.210 -13.914 -23.079 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.035 -13.082 -21.547 1.00 0.00 H new ATOM 0 HG LEU A 85 9.426 -12.176 -21.903 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.221 -12.173 -24.255 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.091 -13.833 -23.626 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.842 -13.196 -24.722 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.647 -10.406 -23.457 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.264 -11.425 -23.924 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.391 -10.805 -22.260 1.00 0.00 H new ATOM 872 N PRO A 86 10.554 -14.547 -20.167 1.00 0.00 N ATOM 873 CA PRO A 86 11.424 -14.095 -19.042 1.00 0.00 C ATOM 874 C PRO A 86 11.579 -12.579 -18.993 1.00 0.00 C ATOM 875 O PRO A 86 11.532 -11.981 -17.918 1.00 0.00 O ATOM 876 CB PRO A 86 12.766 -14.781 -19.316 1.00 0.00 C ATOM 877 CG PRO A 86 12.430 -15.973 -20.150 1.00 0.00 C ATOM 878 CD PRO A 86 11.213 -15.579 -20.983 1.00 0.00 C ATOM 0 HA PRO A 86 10.999 -14.357 -18.073 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.450 -14.114 -19.840 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.256 -15.075 -18.387 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.268 -16.249 -20.791 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.210 -16.837 -19.523 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.504 -15.192 -21.960 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.556 -16.430 -21.160 1.00 0.00 H new ATOM 886 N ASP A 87 11.799 -11.964 -20.150 1.00 0.00 N ATOM 887 CA ASP A 87 11.997 -10.521 -20.222 1.00 0.00 C ATOM 888 C ASP A 87 10.812 -9.756 -19.652 1.00 0.00 C ATOM 889 O ASP A 87 10.934 -8.592 -19.281 1.00 0.00 O ATOM 890 CB ASP A 87 12.189 -10.108 -21.677 1.00 0.00 C ATOM 891 CG ASP A 87 13.474 -10.716 -22.220 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.269 -11.182 -21.420 1.00 0.00 O ATOM 893 OD2 ASP A 87 13.643 -10.711 -23.427 1.00 0.00 O ATOM 0 H ASP A 87 11.845 -12.442 -21.050 1.00 0.00 H new ATOM 0 HA ASP A 87 12.879 -10.280 -19.629 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.339 -10.439 -22.274 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.229 -9.021 -21.754 1.00 0.00 H new ATOM 898 N ALA A 88 9.662 -10.392 -19.596 1.00 0.00 N ATOM 899 CA ALA A 88 8.491 -9.715 -19.075 1.00 0.00 C ATOM 900 C ALA A 88 8.783 -9.165 -17.690 1.00 0.00 C ATOM 901 O ALA A 88 8.294 -8.094 -17.312 1.00 0.00 O ATOM 902 CB ALA A 88 7.320 -10.686 -18.985 1.00 0.00 C ATOM 0 H ALA A 88 9.512 -11.355 -19.897 1.00 0.00 H new ATOM 0 HA ALA A 88 8.236 -8.897 -19.749 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.446 -10.166 -18.592 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.094 -11.077 -19.977 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.581 -11.510 -18.321 1.00 0.00 H new ATOM 908 N PHE A 89 9.590 -9.906 -16.942 1.00 0.00 N ATOM 909 CA PHE A 89 9.959 -9.506 -15.598 1.00 0.00 C ATOM 910 C PHE A 89 10.762 -8.212 -15.571 1.00 0.00 C ATOM 911 O PHE A 89 10.506 -7.329 -14.758 1.00 0.00 O ATOM 912 CB PHE A 89 10.808 -10.597 -14.947 1.00 0.00 C ATOM 913 CG PHE A 89 11.405 -10.016 -13.698 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.648 -9.940 -12.529 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.709 -9.512 -13.726 1.00 0.00 C ATOM 916 CE1 PHE A 89 11.198 -9.364 -11.379 1.00 0.00 C ATOM 917 CE2 PHE A 89 13.257 -8.930 -12.582 1.00 0.00 C ATOM 918 CZ PHE A 89 12.502 -8.856 -11.406 1.00 0.00 C ATOM 0 H PHE A 89 10.000 -10.788 -17.248 1.00 0.00 H new ATOM 0 HA PHE A 89 9.027 -9.348 -15.055 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.198 -11.469 -14.711 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.591 -10.931 -15.627 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.639 -10.325 -12.512 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.292 -9.573 -14.633 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.617 -9.311 -10.470 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.263 -8.537 -12.604 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.925 -8.407 -10.520 1.00 0.00 H new ATOM 928 N LYS A 90 11.755 -8.127 -16.447 1.00 0.00 N ATOM 929 CA LYS A 90 12.616 -6.955 -16.484 1.00 0.00 C ATOM 930 C LYS A 90 11.850 -5.719 -16.930 1.00 0.00 C ATOM 931 O LYS A 90 12.065 -4.630 -16.398 1.00 0.00 O ATOM 932 CB LYS A 90 13.822 -7.197 -17.399 1.00 0.00 C ATOM 933 CG LYS A 90 13.487 -6.816 -18.844 1.00 0.00 C ATOM 934 CD LYS A 90 14.692 -7.108 -19.739 1.00 0.00 C ATOM 935 CE LYS A 90 14.415 -6.593 -21.152 1.00 0.00 C ATOM 936 NZ LYS A 90 15.346 -5.473 -21.461 1.00 0.00 N ATOM 0 H LYS A 90 11.982 -8.847 -17.133 1.00 0.00 H new ATOM 0 HA LYS A 90 12.978 -6.778 -15.471 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.673 -6.612 -17.051 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.116 -8.246 -17.352 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.619 -7.379 -19.188 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.225 -5.760 -18.902 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.584 -6.629 -19.334 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.889 -8.180 -19.763 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.543 -7.398 -21.876 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.382 -6.254 -21.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.159 -5.121 -22.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.202 -4.703 -20.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.328 -5.811 -21.401 1.00 0.00 H new ATOM 950 N ILE A 91 10.964 -5.880 -17.907 1.00 0.00 N ATOM 951 CA ILE A 91 10.190 -4.750 -18.401 1.00 0.00 C ATOM 952 C ILE A 91 9.354 -4.124 -17.287 1.00 0.00 C ATOM 953 O ILE A 91 9.331 -2.901 -17.135 1.00 0.00 O ATOM 954 CB ILE A 91 9.276 -5.195 -19.545 1.00 0.00 C ATOM 955 CG1 ILE A 91 10.127 -5.743 -20.698 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.456 -4.002 -20.038 1.00 0.00 C ATOM 957 CD1 ILE A 91 9.210 -6.262 -21.810 1.00 0.00 C ATOM 0 H ILE A 91 10.766 -6.769 -18.366 1.00 0.00 H new ATOM 0 HA ILE A 91 10.890 -4.000 -18.768 1.00 0.00 H new ATOM 0 HB ILE A 91 8.603 -5.975 -19.188 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.779 -4.961 -21.086 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.771 -6.546 -20.339 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.805 -4.320 -20.853 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.850 -3.614 -19.219 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.128 -3.221 -20.394 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.815 -6.651 -22.629 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.576 -7.057 -21.417 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.585 -5.447 -22.176 1.00 0.00 H new ATOM 969 N MET A 92 8.665 -4.958 -16.510 1.00 0.00 N ATOM 970 CA MET A 92 7.837 -4.448 -15.427 1.00 0.00 C ATOM 971 C MET A 92 8.702 -3.869 -14.310 1.00 0.00 C ATOM 972 O MET A 92 8.349 -2.861 -13.694 1.00 0.00 O ATOM 973 CB MET A 92 6.973 -5.579 -14.868 1.00 0.00 C ATOM 974 CG MET A 92 6.038 -6.099 -15.962 1.00 0.00 C ATOM 975 SD MET A 92 5.052 -4.731 -16.623 1.00 0.00 S ATOM 976 CE MET A 92 4.200 -4.287 -15.089 1.00 0.00 C ATOM 0 H MET A 92 8.665 -5.973 -16.610 1.00 0.00 H new ATOM 0 HA MET A 92 7.201 -3.655 -15.821 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.606 -6.387 -14.502 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.392 -5.220 -14.019 1.00 0.00 H new ATOM 0 HG2 MET A 92 6.618 -6.561 -16.761 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.383 -6.870 -15.557 1.00 0.00 H new ATOM 0 HE1 MET A 92 3.428 -3.547 -15.302 1.00 0.00 H new ATOM 0 HE2 MET A 92 3.741 -5.176 -14.657 1.00 0.00 H new ATOM 0 HE3 MET A 92 4.917 -3.870 -14.382 1.00 0.00 H new ATOM 986 N SER A 93 9.829 -4.521 -14.050 1.00 0.00 N ATOM 987 CA SER A 93 10.738 -4.083 -12.999 1.00 0.00 C ATOM 988 C SER A 93 11.248 -2.664 -13.251 1.00 0.00 C ATOM 989 O SER A 93 11.221 -1.818 -12.362 1.00 0.00 O ATOM 990 CB SER A 93 11.925 -5.045 -12.934 1.00 0.00 C ATOM 991 OG SER A 93 11.452 -6.379 -13.043 1.00 0.00 O ATOM 0 H SER A 93 10.135 -5.354 -14.552 1.00 0.00 H new ATOM 0 HA SER A 93 10.194 -4.081 -12.054 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.628 -4.829 -13.739 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.464 -4.913 -11.996 1.00 0.00 H new ATOM 0 HG SER A 93 11.463 -6.654 -13.983 1.00 0.00 H new ATOM 997 N GLN A 94 11.707 -2.410 -14.468 1.00 0.00 N ATOM 998 CA GLN A 94 12.217 -1.092 -14.823 1.00 0.00 C ATOM 999 C GLN A 94 11.106 -0.041 -14.789 1.00 0.00 C ATOM 1000 O GLN A 94 11.332 1.111 -14.409 1.00 0.00 O ATOM 1001 CB GLN A 94 12.830 -1.150 -16.221 1.00 0.00 C ATOM 1002 CG GLN A 94 14.016 -2.114 -16.215 1.00 0.00 C ATOM 1003 CD GLN A 94 14.600 -2.229 -17.619 1.00 0.00 C ATOM 1004 OE1 GLN A 94 14.230 -1.463 -18.510 1.00 0.00 O ATOM 1005 NE2 GLN A 94 15.483 -3.153 -17.877 1.00 0.00 N ATOM 0 H GLN A 94 11.737 -3.095 -15.223 1.00 0.00 H new ATOM 0 HA GLN A 94 12.975 -0.805 -14.094 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.084 -1.479 -16.944 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.156 -0.156 -16.529 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.780 -1.760 -15.522 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.696 -3.095 -15.863 1.00 0.00 H new ATOM 0 HE21 GLN A 94 15.789 -3.787 -17.139 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.868 -3.242 -18.817 1.00 0.00 H new ATOM 1014 N ARG A 95 9.916 -0.448 -15.221 1.00 0.00 N ATOM 1015 CA ARG A 95 8.767 0.454 -15.278 1.00 0.00 C ATOM 1016 C ARG A 95 8.109 0.724 -13.914 1.00 0.00 C ATOM 1017 O ARG A 95 7.558 1.803 -13.706 1.00 0.00 O ATOM 1018 CB ARG A 95 7.718 -0.126 -16.235 1.00 0.00 C ATOM 1019 CG ARG A 95 8.258 -0.097 -17.670 1.00 0.00 C ATOM 1020 CD ARG A 95 7.227 -0.705 -18.626 1.00 0.00 C ATOM 1021 NE ARG A 95 7.752 -0.726 -19.988 1.00 0.00 N ATOM 1022 CZ ARG A 95 7.836 0.390 -20.707 1.00 0.00 C ATOM 1023 NH1 ARG A 95 7.439 1.523 -20.202 1.00 0.00 N ATOM 1024 NH2 ARG A 95 8.313 0.349 -21.924 1.00 0.00 N ATOM 0 H ARG A 95 9.721 -1.398 -15.537 1.00 0.00 H new ATOM 0 HA ARG A 95 9.148 1.412 -15.631 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.475 -1.149 -15.948 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.795 0.450 -16.171 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.479 0.929 -17.964 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.193 -0.654 -17.727 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.979 -1.718 -18.309 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.304 -0.126 -18.593 1.00 0.00 H new ATOM 0 HE ARG A 95 8.059 -1.610 -20.394 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.063 1.555 -19.254 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.504 2.378 -20.754 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.620 -0.539 -22.322 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.378 1.205 -22.476 1.00 0.00 H new ATOM 1038 N CYS A 96 8.101 -0.260 -13.011 1.00 0.00 N ATOM 1039 CA CYS A 96 7.415 -0.069 -11.721 1.00 0.00 C ATOM 1040 C CYS A 96 8.337 -0.051 -10.487 1.00 0.00 C ATOM 1041 O CYS A 96 7.910 0.370 -9.410 1.00 0.00 O ATOM 1042 CB CYS A 96 6.373 -1.173 -11.547 1.00 0.00 C ATOM 1043 SG CYS A 96 5.559 -1.493 -13.136 1.00 0.00 S ATOM 0 H CYS A 96 8.544 -1.170 -13.137 1.00 0.00 H new ATOM 0 HA CYS A 96 6.964 0.922 -11.768 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.849 -2.083 -11.181 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.635 -0.877 -10.801 1.00 0.00 H new ATOM 1048 N ASN A 97 9.572 -0.525 -10.611 1.00 0.00 N ATOM 1049 CA ASN A 97 10.471 -0.556 -9.454 1.00 0.00 C ATOM 1050 C ASN A 97 10.674 0.837 -8.848 1.00 0.00 C ATOM 1051 O ASN A 97 10.860 1.814 -9.570 1.00 0.00 O ATOM 1052 CB ASN A 97 11.837 -1.120 -9.856 1.00 0.00 C ATOM 1053 CG ASN A 97 11.754 -2.630 -10.043 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.703 -3.228 -9.818 1.00 0.00 O ATOM 1055 ND2 ASN A 97 12.812 -3.288 -10.429 1.00 0.00 N ATOM 0 H ASN A 97 9.970 -0.886 -11.478 1.00 0.00 H new ATOM 0 HA ASN A 97 10.003 -1.196 -8.706 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.174 -0.651 -10.780 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.575 -0.882 -9.090 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.769 -4.300 -10.545 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.683 -2.790 -10.615 1.00 0.00 H new ATOM 1062 N ASN A 98 10.663 0.904 -7.510 1.00 0.00 N ATOM 1063 CA ASN A 98 10.881 2.164 -6.787 1.00 0.00 C ATOM 1064 C ASN A 98 9.727 3.159 -6.939 1.00 0.00 C ATOM 1065 O ASN A 98 9.877 4.331 -6.600 1.00 0.00 O ATOM 1066 CB ASN A 98 12.199 2.819 -7.223 1.00 0.00 C ATOM 1067 CG ASN A 98 13.379 1.994 -6.709 1.00 0.00 C ATOM 1068 OD1 ASN A 98 13.184 0.944 -6.098 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.601 2.475 -6.944 1.00 0.00 N ATOM 0 H ASN A 98 10.505 0.098 -6.905 1.00 0.00 H new ATOM 0 HA ASN A 98 10.933 1.900 -5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.239 2.890 -8.310 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.257 3.836 -6.834 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.715 3.350 -7.455 1.00 0.00 H new ATOM 1075 N ARG A 99 8.577 2.705 -7.423 1.00 0.00 N ATOM 1076 CA ARG A 99 7.439 3.610 -7.565 1.00 0.00 C ATOM 1077 C ARG A 99 6.274 3.178 -6.689 1.00 0.00 C ATOM 1078 O ARG A 99 6.079 1.991 -6.435 1.00 0.00 O ATOM 1079 CB ARG A 99 6.985 3.679 -9.018 1.00 0.00 C ATOM 1080 CG ARG A 99 7.991 4.499 -9.820 1.00 0.00 C ATOM 1081 CD ARG A 99 7.443 4.709 -11.224 1.00 0.00 C ATOM 1082 NE ARG A 99 6.241 5.526 -11.164 1.00 0.00 N ATOM 1083 CZ ARG A 99 5.371 5.521 -12.158 1.00 0.00 C ATOM 1084 NH1 ARG A 99 5.592 4.773 -13.201 1.00 0.00 N ATOM 1085 NH2 ARG A 99 4.297 6.257 -12.087 1.00 0.00 N ATOM 0 H ARG A 99 8.407 1.743 -7.717 1.00 0.00 H new ATOM 0 HA ARG A 99 7.767 4.598 -7.243 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.903 2.675 -9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.996 4.132 -9.081 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.167 5.460 -9.336 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.950 3.983 -9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.193 5.194 -11.849 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.218 3.747 -11.685 1.00 0.00 H new ATOM 0 HE ARG A 99 6.068 6.109 -10.345 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.432 4.196 -13.246 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.925 4.764 -13.973 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.129 6.836 -11.264 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.625 6.254 -12.854 1.00 0.00 H new ATOM 1099 N THR A 100 5.493 4.154 -6.237 1.00 0.00 N ATOM 1100 CA THR A 100 4.338 3.867 -5.395 1.00 0.00 C ATOM 1101 C THR A 100 3.239 3.224 -6.238 1.00 0.00 C ATOM 1102 O THR A 100 2.474 2.394 -5.753 1.00 0.00 O ATOM 1103 CB THR A 100 3.830 5.155 -4.741 1.00 0.00 C ATOM 1104 OG1 THR A 100 4.902 5.791 -4.059 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.715 4.827 -3.743 1.00 0.00 C ATOM 0 H THR A 100 5.637 5.144 -6.438 1.00 0.00 H new ATOM 0 HA THR A 100 4.629 3.174 -4.606 1.00 0.00 H new ATOM 0 HB THR A 100 3.438 5.819 -5.511 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.580 6.617 -3.641 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.358 5.747 -3.281 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.891 4.340 -4.265 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.101 4.160 -2.972 1.00 0.00 H new ATOM 1113 N GLN A 101 3.185 3.604 -7.515 1.00 0.00 N ATOM 1114 CA GLN A 101 2.193 3.043 -8.434 1.00 0.00 C ATOM 1115 C GLN A 101 2.802 2.856 -9.822 1.00 0.00 C ATOM 1116 O GLN A 101 3.798 3.498 -10.165 1.00 0.00 O ATOM 1117 CB GLN A 101 0.946 3.937 -8.512 1.00 0.00 C ATOM 1118 CG GLN A 101 1.300 5.303 -9.098 1.00 0.00 C ATOM 1119 CD GLN A 101 0.161 5.796 -9.988 1.00 0.00 C ATOM 1120 OE1 GLN A 101 -0.357 6.895 -9.786 1.00 0.00 O ATOM 1121 NE2 GLN A 101 -0.264 5.041 -10.964 1.00 0.00 N ATOM 0 H GLN A 101 3.811 4.292 -7.934 1.00 0.00 H new ATOM 0 HA GLN A 101 1.887 2.070 -8.051 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.186 3.457 -9.128 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.518 4.062 -7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.481 6.017 -8.295 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.221 5.233 -9.676 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.166 4.131 -11.130 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -1.027 5.361 -11.561 1.00 0.00 H new ATOM 1130 N CYS A 102 2.217 1.953 -10.609 1.00 0.00 N ATOM 1131 CA CYS A 102 2.742 1.674 -11.945 1.00 0.00 C ATOM 1132 C CYS A 102 1.648 1.173 -12.891 1.00 0.00 C ATOM 1133 O CYS A 102 0.843 0.313 -12.529 1.00 0.00 O ATOM 1134 CB CYS A 102 3.837 0.616 -11.831 1.00 0.00 C ATOM 1135 SG CYS A 102 4.419 0.143 -13.477 1.00 0.00 S ATOM 0 H CYS A 102 1.393 1.410 -10.350 1.00 0.00 H new ATOM 0 HA CYS A 102 3.140 2.600 -12.359 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.667 1.003 -11.241 1.00 0.00 H new ATOM 0 HB3 CYS A 102 3.454 -0.260 -11.307 1.00 0.00 H new ATOM 1140 N VAL A 103 1.649 1.706 -14.109 1.00 0.00 N ATOM 1141 CA VAL A 103 0.674 1.305 -15.125 1.00 0.00 C ATOM 1142 C VAL A 103 1.395 0.843 -16.389 1.00 0.00 C ATOM 1143 O VAL A 103 2.313 1.509 -16.864 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.246 2.477 -15.471 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.323 2.007 -16.451 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -0.917 3.001 -14.203 1.00 0.00 C ATOM 0 H VAL A 103 2.312 2.416 -14.419 1.00 0.00 H new ATOM 0 HA VAL A 103 0.077 0.485 -14.725 1.00 0.00 H new ATOM 0 HB VAL A 103 0.345 3.273 -15.924 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.979 2.842 -16.698 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.850 1.635 -17.360 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.908 1.209 -15.994 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.571 3.836 -14.456 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.505 2.205 -13.747 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.155 3.337 -13.500 1.00 0.00 H new ATOM 1156 N VAL A 104 0.989 -0.305 -16.925 1.00 0.00 N ATOM 1157 CA VAL A 104 1.629 -0.834 -18.126 1.00 0.00 C ATOM 1158 C VAL A 104 0.647 -1.624 -18.989 1.00 0.00 C ATOM 1159 O VAL A 104 -0.250 -2.290 -18.477 1.00 0.00 O ATOM 1160 CB VAL A 104 2.802 -1.728 -17.711 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.314 -2.527 -18.910 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.939 -0.857 -17.173 1.00 0.00 C ATOM 0 H VAL A 104 0.232 -0.879 -16.554 1.00 0.00 H new ATOM 0 HA VAL A 104 1.987 0.003 -18.725 1.00 0.00 H new ATOM 0 HB VAL A 104 2.460 -2.419 -16.940 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.147 -3.157 -18.598 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.511 -3.153 -19.299 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.649 -1.841 -19.688 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.775 -1.491 -16.877 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.266 -0.165 -17.949 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.588 -0.293 -16.309 1.00 0.00 H new ATOM 1172 N VAL A 105 0.841 -1.565 -20.309 1.00 0.00 N ATOM 1173 CA VAL A 105 -0.019 -2.304 -21.226 1.00 0.00 C ATOM 1174 C VAL A 105 0.407 -3.767 -21.269 1.00 0.00 C ATOM 1175 O VAL A 105 1.527 -4.082 -21.662 1.00 0.00 O ATOM 1176 CB VAL A 105 0.062 -1.707 -22.634 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -0.913 -2.448 -23.555 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.314 -0.224 -22.575 1.00 0.00 C ATOM 0 H VAL A 105 1.577 -1.020 -20.759 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.047 -2.234 -20.871 1.00 0.00 H new ATOM 0 HB VAL A 105 1.076 -1.810 -23.021 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.858 -2.026 -24.558 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.648 -3.505 -23.591 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.928 -2.342 -23.172 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.258 0.206 -23.575 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.329 -0.121 -22.192 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.377 0.301 -21.915 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.489 -4.657 -20.845 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.180 -6.083 -20.822 1.00 0.00 C ATOM 1190 C ALA A 106 -0.145 -6.665 -22.232 1.00 0.00 C ATOM 1191 O ALA A 106 -0.538 -7.813 -22.445 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.222 -6.825 -19.988 1.00 0.00 C ATOM 0 H ALA A 106 -1.425 -4.418 -20.516 1.00 0.00 H new ATOM 0 HA ALA A 106 0.807 -6.207 -20.376 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.986 -7.889 -19.974 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.215 -6.439 -18.969 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.210 -6.678 -20.425 1.00 0.00 H new ATOM 1198 N GLY A 107 0.330 -5.876 -23.187 1.00 0.00 N ATOM 1199 CA GLY A 107 0.418 -6.332 -24.569 1.00 0.00 C ATOM 1200 C GLY A 107 1.014 -5.252 -25.463 1.00 0.00 C ATOM 1201 O GLY A 107 2.139 -4.795 -25.240 1.00 0.00 O ATOM 0 H GLY A 107 0.659 -4.923 -23.032 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.032 -7.231 -24.621 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.574 -6.602 -24.931 1.00 0.00 H new ATOM 1205 N SER A 108 0.253 -4.844 -26.472 1.00 0.00 N ATOM 1206 CA SER A 108 0.710 -3.820 -27.403 1.00 0.00 C ATOM 1207 C SER A 108 2.218 -3.911 -27.615 1.00 0.00 C ATOM 1208 O SER A 108 2.850 -4.916 -27.286 1.00 0.00 O ATOM 1209 CB SER A 108 0.355 -2.430 -26.868 1.00 0.00 C ATOM 1210 OG SER A 108 0.550 -1.467 -27.895 1.00 0.00 O ATOM 0 H SER A 108 -0.681 -5.206 -26.666 1.00 0.00 H new ATOM 0 HA SER A 108 0.212 -3.984 -28.358 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.681 -2.412 -26.529 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.977 -2.190 -26.006 1.00 0.00 H new ATOM 0 HG SER A 108 0.426 -1.892 -28.769 1.00 0.00 H new ATOM 1216 N ASP A 109 2.781 -2.860 -28.186 1.00 0.00 N ATOM 1217 CA ASP A 109 4.208 -2.811 -28.465 1.00 0.00 C ATOM 1218 C ASP A 109 5.022 -2.797 -27.167 1.00 0.00 C ATOM 1219 O ASP A 109 6.245 -2.663 -27.193 1.00 0.00 O ATOM 1220 CB ASP A 109 4.515 -1.554 -29.285 1.00 0.00 C ATOM 1221 CG ASP A 109 3.911 -1.675 -30.684 1.00 0.00 C ATOM 1222 OD1 ASP A 109 3.434 -2.748 -31.015 1.00 0.00 O ATOM 1223 OD2 ASP A 109 3.935 -0.690 -31.405 1.00 0.00 O ATOM 0 H ASP A 109 2.269 -2.024 -28.467 1.00 0.00 H new ATOM 0 HA ASP A 109 4.487 -3.701 -29.028 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.112 -0.675 -28.782 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.593 -1.413 -29.358 1.00 0.00 H new ATOM 1228 N ALA A 110 4.330 -2.924 -26.034 1.00 0.00 N ATOM 1229 CA ALA A 110 4.998 -2.908 -24.731 1.00 0.00 C ATOM 1230 C ALA A 110 5.458 -4.302 -24.326 1.00 0.00 C ATOM 1231 O ALA A 110 6.158 -4.469 -23.328 1.00 0.00 O ATOM 1232 CB ALA A 110 4.048 -2.365 -23.664 1.00 0.00 C ATOM 0 H ALA A 110 3.317 -3.038 -25.991 1.00 0.00 H new ATOM 0 HA ALA A 110 5.873 -2.264 -24.815 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.553 -2.356 -22.698 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.748 -1.350 -23.926 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.164 -3.001 -23.606 1.00 0.00 H new ATOM 1238 N PHE A 111 5.062 -5.300 -25.099 1.00 0.00 N ATOM 1239 CA PHE A 111 5.449 -6.667 -24.804 1.00 0.00 C ATOM 1240 C PHE A 111 5.605 -7.475 -26.081 1.00 0.00 C ATOM 1241 O PHE A 111 4.720 -7.455 -26.938 1.00 0.00 O ATOM 1242 CB PHE A 111 4.394 -7.340 -23.936 1.00 0.00 C ATOM 1243 CG PHE A 111 4.611 -6.954 -22.499 1.00 0.00 C ATOM 1244 CD1 PHE A 111 5.459 -7.726 -21.703 1.00 0.00 C ATOM 1245 CD2 PHE A 111 3.969 -5.836 -21.961 1.00 0.00 C ATOM 1246 CE1 PHE A 111 5.667 -7.380 -20.365 1.00 0.00 C ATOM 1247 CE2 PHE A 111 4.177 -5.491 -20.623 1.00 0.00 C ATOM 1248 CZ PHE A 111 5.026 -6.264 -19.824 1.00 0.00 C ATOM 0 H PHE A 111 4.478 -5.190 -25.928 1.00 0.00 H new ATOM 0 HA PHE A 111 6.402 -6.632 -24.277 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.397 -7.040 -24.258 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.453 -8.423 -24.046 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.954 -8.590 -22.121 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.313 -5.240 -22.578 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.324 -7.976 -19.749 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.682 -4.627 -20.205 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.185 -5.998 -18.790 1.00 0.00 H new ATOM 1258 N PRO A 112 6.675 -8.212 -26.219 1.00 0.00 N ATOM 1259 CA PRO A 112 6.884 -9.068 -27.414 1.00 0.00 C ATOM 1260 C PRO A 112 5.670 -9.955 -27.658 1.00 0.00 C ATOM 1261 O PRO A 112 4.541 -9.592 -27.332 1.00 0.00 O ATOM 1262 CB PRO A 112 8.099 -9.926 -27.046 1.00 0.00 C ATOM 1263 CG PRO A 112 8.823 -9.174 -25.982 1.00 0.00 C ATOM 1264 CD PRO A 112 7.797 -8.300 -25.271 1.00 0.00 C ATOM 0 HA PRO A 112 7.033 -8.486 -28.324 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.790 -10.908 -26.689 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.739 -10.089 -27.913 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.296 -9.860 -25.280 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.616 -8.563 -26.414 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.485 -8.743 -24.325 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.203 -7.315 -25.043 1.00 0.00 H new ATOM 1272 N ASP A 113 5.918 -11.134 -28.194 1.00 0.00 N ATOM 1273 CA ASP A 113 4.850 -12.089 -28.438 1.00 0.00 C ATOM 1274 C ASP A 113 5.400 -13.502 -28.251 1.00 0.00 C ATOM 1275 O ASP A 113 5.961 -14.087 -29.177 1.00 0.00 O ATOM 1276 CB ASP A 113 4.279 -11.905 -29.848 1.00 0.00 C ATOM 1277 CG ASP A 113 3.000 -12.724 -29.998 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.860 -13.702 -29.283 1.00 0.00 O ATOM 1279 OD2 ASP A 113 2.183 -12.363 -30.831 1.00 0.00 O ATOM 0 H ASP A 113 6.846 -11.455 -28.469 1.00 0.00 H new ATOM 0 HA ASP A 113 4.038 -11.923 -27.730 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.070 -10.851 -30.031 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.012 -12.219 -30.591 1.00 0.00 H new ATOM 1284 N PRO A 114 5.285 -14.035 -27.057 1.00 0.00 N ATOM 1285 CA PRO A 114 5.815 -15.387 -26.717 1.00 0.00 C ATOM 1286 C PRO A 114 4.916 -16.520 -27.188 1.00 0.00 C ATOM 1287 O PRO A 114 5.261 -17.693 -27.050 1.00 0.00 O ATOM 1288 CB PRO A 114 5.901 -15.367 -25.194 1.00 0.00 C ATOM 1289 CG PRO A 114 4.881 -14.368 -24.737 1.00 0.00 C ATOM 1290 CD PRO A 114 4.628 -13.403 -25.902 1.00 0.00 C ATOM 0 HA PRO A 114 6.769 -15.574 -27.211 1.00 0.00 H new ATOM 0 HB2 PRO A 114 5.695 -16.353 -24.778 1.00 0.00 H new ATOM 0 HB3 PRO A 114 6.900 -15.084 -24.863 1.00 0.00 H new ATOM 0 HG2 PRO A 114 3.957 -14.869 -24.446 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.240 -13.827 -23.862 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.561 -13.266 -26.079 1.00 0.00 H new ATOM 0 HD3 PRO A 114 5.046 -12.417 -25.698 1.00 0.00 H new ATOM 1298 N CYS A 115 3.764 -16.170 -27.737 1.00 0.00 N ATOM 1299 CA CYS A 115 2.835 -17.187 -28.217 1.00 0.00 C ATOM 1300 C CYS A 115 1.732 -16.577 -29.064 1.00 0.00 C ATOM 1301 O CYS A 115 0.555 -16.577 -28.693 1.00 0.00 O ATOM 1302 CB CYS A 115 2.221 -17.940 -27.045 1.00 0.00 C ATOM 1303 SG CYS A 115 1.900 -16.779 -25.699 1.00 0.00 S ATOM 0 H CYS A 115 3.451 -15.207 -27.861 1.00 0.00 H new ATOM 0 HA CYS A 115 3.401 -17.881 -28.838 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.294 -18.424 -27.353 1.00 0.00 H new ATOM 0 HB3 CYS A 115 2.896 -18.728 -26.709 1.00 0.00 H new ATOM 1308 N PRO A 116 2.093 -16.088 -30.204 1.00 0.00 N ATOM 1309 CA PRO A 116 1.129 -15.490 -31.153 1.00 0.00 C ATOM 1310 C PRO A 116 -0.028 -16.445 -31.426 1.00 0.00 C ATOM 1311 O PRO A 116 0.139 -17.664 -31.380 1.00 0.00 O ATOM 1312 CB PRO A 116 1.951 -15.269 -32.424 1.00 0.00 C ATOM 1313 CG PRO A 116 3.378 -15.225 -31.988 1.00 0.00 C ATOM 1314 CD PRO A 116 3.473 -16.046 -30.704 1.00 0.00 C ATOM 0 HA PRO A 116 0.683 -14.572 -30.771 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.786 -16.074 -33.140 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.665 -14.340 -32.917 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.030 -15.636 -32.759 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.698 -14.197 -31.814 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.857 -17.047 -30.898 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.145 -15.581 -29.982 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.192 -15.887 -31.708 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.364 -16.703 -31.992 1.00 0.00 C ATOM 1324 C GLY A 117 -3.046 -17.186 -30.711 1.00 0.00 C ATOM 1325 O GLY A 117 -4.102 -17.817 -30.773 1.00 0.00 O ATOM 0 H GLY A 117 -1.353 -14.881 -31.747 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.073 -16.126 -32.586 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.070 -17.563 -32.594 1.00 0.00 H new ATOM 1329 N THR A 118 -2.455 -16.890 -29.551 1.00 0.00 N ATOM 1330 CA THR A 118 -3.043 -17.311 -28.278 1.00 0.00 C ATOM 1331 C THR A 118 -3.426 -16.095 -27.434 1.00 0.00 C ATOM 1332 O THR A 118 -2.769 -15.058 -27.509 1.00 0.00 O ATOM 1333 CB THR A 118 -2.038 -18.165 -27.500 1.00 0.00 C ATOM 1334 OG1 THR A 118 -1.618 -19.259 -28.305 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.693 -18.693 -26.225 1.00 0.00 C ATOM 0 H THR A 118 -1.583 -16.368 -29.467 1.00 0.00 H new ATOM 0 HA THR A 118 -3.939 -17.894 -28.490 1.00 0.00 H new ATOM 0 HB THR A 118 -1.174 -17.555 -27.238 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.974 -19.804 -27.806 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.976 -19.301 -25.673 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.012 -17.855 -25.606 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.559 -19.301 -26.486 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.469 -16.224 -26.607 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.868 -15.110 -25.745 1.00 0.00 C ATOM 1345 C TYR A 119 -4.007 -15.144 -24.487 1.00 0.00 C ATOM 1346 O TYR A 119 -4.060 -16.100 -23.711 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.356 -15.205 -25.376 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.851 -13.865 -24.888 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.702 -12.723 -25.691 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -7.470 -13.763 -23.639 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -7.167 -11.485 -25.238 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -7.937 -12.522 -23.190 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.785 -11.384 -23.989 1.00 0.00 C ATOM 1354 OH TYR A 119 -8.245 -10.163 -23.544 1.00 0.00 O ATOM 0 H TYR A 119 -5.038 -17.066 -26.517 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.722 -14.169 -26.275 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.935 -15.523 -26.243 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.500 -15.959 -24.603 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.228 -12.801 -26.658 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -7.588 -14.641 -23.021 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -7.048 -10.606 -25.854 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -8.415 -12.443 -22.225 1.00 0.00 H new ATOM 0 HH TYR A 119 -7.525 -9.501 -23.603 1.00 0.00 H new ATOM 1364 N LYS A 120 -3.150 -14.142 -24.341 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.206 -14.111 -23.226 1.00 0.00 C ATOM 1366 C LYS A 120 -2.716 -13.365 -21.996 1.00 0.00 C ATOM 1367 O LYS A 120 -3.902 -13.072 -21.841 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.908 -13.450 -23.700 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.479 -14.090 -25.018 1.00 0.00 C ATOM 1370 CD LYS A 120 0.842 -13.480 -25.496 1.00 0.00 C ATOM 1371 CE LYS A 120 1.092 -13.898 -26.947 1.00 0.00 C ATOM 1372 NZ LYS A 120 1.527 -12.716 -27.741 1.00 0.00 N ATOM 0 H LYS A 120 -3.087 -13.345 -24.974 1.00 0.00 H new ATOM 0 HA LYS A 120 -2.053 -15.146 -22.919 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.057 -12.378 -23.832 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.127 -13.573 -22.950 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.365 -15.166 -24.888 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.251 -13.940 -25.772 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.804 -12.393 -25.419 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.662 -13.816 -24.862 1.00 0.00 H new ATOM 0 HE2 LYS A 120 1.855 -14.675 -26.985 1.00 0.00 H new ATOM 0 HE3 LYS A 120 0.184 -14.322 -27.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 0.809 -12.499 -28.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 1.643 -11.897 -27.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 2.433 -12.925 -28.207 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.744 -13.013 -21.172 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.981 -12.230 -19.968 1.00 0.00 C ATOM 1388 C TYR A 121 -0.675 -11.871 -19.286 1.00 0.00 C ATOM 1389 O TYR A 121 0.403 -12.293 -19.709 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.921 -12.950 -18.996 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.274 -14.185 -18.419 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -1.238 -14.075 -17.483 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.737 -15.447 -18.808 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.664 -15.233 -16.939 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -2.168 -16.602 -18.263 1.00 0.00 C ATOM 1396 CZ TYR A 121 -1.131 -16.496 -17.329 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.570 -17.635 -16.792 1.00 0.00 O ATOM 0 H TYR A 121 -0.766 -13.262 -21.318 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.472 -11.307 -20.276 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.201 -12.273 -18.189 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.840 -13.226 -19.513 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.882 -13.101 -17.181 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.535 -15.529 -19.531 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.138 -15.152 -16.220 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.528 -17.575 -18.562 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.250 -17.446 -15.885 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.784 -11.088 -18.226 1.00 0.00 N ATOM 1408 CA LEU A 122 0.386 -10.672 -17.479 1.00 0.00 C ATOM 1409 C LEU A 122 0.158 -10.866 -15.988 1.00 0.00 C ATOM 1410 O LEU A 122 -0.789 -10.318 -15.417 1.00 0.00 O ATOM 1411 CB LEU A 122 0.673 -9.200 -17.757 1.00 0.00 C ATOM 1412 CG LEU A 122 1.896 -8.758 -16.954 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.148 -9.432 -17.518 1.00 0.00 C ATOM 1414 CD2 LEU A 122 2.039 -7.237 -17.049 1.00 0.00 C ATOM 0 H LEU A 122 -1.669 -10.730 -17.866 1.00 0.00 H new ATOM 0 HA LEU A 122 1.235 -11.280 -17.791 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.850 -9.048 -18.822 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.191 -8.593 -17.487 1.00 0.00 H new ATOM 0 HG LEU A 122 1.774 -9.046 -15.910 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.020 -9.117 -16.945 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.041 -10.515 -17.449 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.276 -9.146 -18.562 1.00 0.00 H new ATOM 0 HD21 LEU A 122 2.910 -6.917 -16.478 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.163 -6.948 -18.093 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.145 -6.762 -16.645 1.00 0.00 H new ATOM 1426 N GLU A 123 1.044 -11.631 -15.361 1.00 0.00 N ATOM 1427 CA GLU A 123 0.950 -11.882 -13.930 1.00 0.00 C ATOM 1428 C GLU A 123 2.169 -11.286 -13.242 1.00 0.00 C ATOM 1429 O GLU A 123 3.302 -11.600 -13.607 1.00 0.00 O ATOM 1430 CB GLU A 123 0.886 -13.393 -13.672 1.00 0.00 C ATOM 1431 CG GLU A 123 0.674 -13.659 -12.181 1.00 0.00 C ATOM 1432 CD GLU A 123 0.710 -15.161 -11.916 1.00 0.00 C ATOM 1433 OE1 GLU A 123 0.914 -15.905 -12.862 1.00 0.00 O ATOM 1434 OE2 GLU A 123 0.531 -15.546 -10.774 1.00 0.00 O ATOM 0 H GLU A 123 1.833 -12.086 -15.820 1.00 0.00 H new ATOM 0 HA GLU A 123 0.046 -11.421 -13.532 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.073 -13.835 -14.248 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.808 -13.867 -14.007 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.448 -13.159 -11.599 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.283 -13.246 -11.861 1.00 0.00 H new ATOM 1441 N VAL A 124 1.943 -10.410 -12.264 1.00 0.00 N ATOM 1442 CA VAL A 124 3.068 -9.776 -11.575 1.00 0.00 C ATOM 1443 C VAL A 124 2.896 -9.767 -10.060 1.00 0.00 C ATOM 1444 O VAL A 124 1.892 -9.283 -9.533 1.00 0.00 O ATOM 1445 CB VAL A 124 3.223 -8.328 -12.046 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.411 -7.682 -11.324 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.469 -8.294 -13.557 1.00 0.00 C ATOM 0 H VAL A 124 1.019 -10.128 -11.937 1.00 0.00 H new ATOM 0 HA VAL A 124 3.953 -10.364 -11.819 1.00 0.00 H new ATOM 0 HB VAL A 124 2.310 -7.778 -11.818 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.523 -6.651 -11.658 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.235 -7.698 -10.248 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.321 -8.238 -11.551 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.578 -7.260 -13.885 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.379 -8.847 -13.790 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.625 -8.751 -14.073 1.00 0.00 H new ATOM 1457 N GLN A 125 3.912 -10.271 -9.368 1.00 0.00 N ATOM 1458 CA GLN A 125 3.910 -10.292 -7.913 1.00 0.00 C ATOM 1459 C GLN A 125 5.009 -9.357 -7.408 1.00 0.00 C ATOM 1460 O GLN A 125 6.154 -9.438 -7.856 1.00 0.00 O ATOM 1461 CB GLN A 125 4.160 -11.721 -7.412 1.00 0.00 C ATOM 1462 CG GLN A 125 3.072 -12.653 -7.959 1.00 0.00 C ATOM 1463 CD GLN A 125 3.692 -13.732 -8.844 1.00 0.00 C ATOM 1464 OE1 GLN A 125 3.260 -13.878 -10.067 1.00 0.00 O flip ATOM 1465 NE2 GLN A 125 4.581 -14.463 -8.408 1.00 0.00 N flip ATOM 0 H GLN A 125 4.748 -10.671 -9.794 1.00 0.00 H new ATOM 0 HA GLN A 125 2.943 -9.958 -7.537 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.143 -12.064 -7.734 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.157 -11.741 -6.322 1.00 0.00 H new ATOM 0 HG2 GLN A 125 2.532 -13.117 -7.133 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.345 -12.077 -8.532 1.00 0.00 H new ATOM 0 HE21 GLN A 125 4.915 -14.345 -7.452 1.00 0.00 H new ATOM 0 HE22 GLN A 125 4.984 -15.187 -9.003 1.00 0.00 H new ATOM 1474 N TYR A 126 4.652 -8.452 -6.502 1.00 0.00 N ATOM 1475 CA TYR A 126 5.621 -7.491 -5.978 1.00 0.00 C ATOM 1476 C TYR A 126 5.338 -7.160 -4.520 1.00 0.00 C ATOM 1477 O TYR A 126 4.242 -7.403 -4.013 1.00 0.00 O ATOM 1478 CB TYR A 126 5.569 -6.202 -6.807 1.00 0.00 C ATOM 1479 CG TYR A 126 4.243 -5.512 -6.577 1.00 0.00 C ATOM 1480 CD1 TYR A 126 3.127 -5.870 -7.345 1.00 0.00 C ATOM 1481 CD2 TYR A 126 4.129 -4.520 -5.596 1.00 0.00 C ATOM 1482 CE1 TYR A 126 1.898 -5.235 -7.133 1.00 0.00 C ATOM 1483 CE2 TYR A 126 2.898 -3.885 -5.383 1.00 0.00 C ATOM 1484 CZ TYR A 126 1.782 -4.243 -6.152 1.00 0.00 C ATOM 1485 OH TYR A 126 0.570 -3.619 -5.943 1.00 0.00 O ATOM 0 H TYR A 126 3.711 -8.362 -6.118 1.00 0.00 H new ATOM 0 HA TYR A 126 6.612 -7.941 -6.044 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.389 -5.542 -6.525 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.694 -6.431 -7.865 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.215 -6.636 -8.101 1.00 0.00 H new ATOM 0 HD2 TYR A 126 4.989 -4.244 -5.004 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.039 -5.510 -7.726 1.00 0.00 H new ATOM 0 HE2 TYR A 126 2.809 -3.120 -4.626 1.00 0.00 H new ATOM 0 HH TYR A 126 0.695 -2.853 -5.345 1.00 0.00 H new ATOM 1495 N ASP A 127 6.338 -6.602 -3.844 1.00 0.00 N ATOM 1496 CA ASP A 127 6.190 -6.247 -2.442 1.00 0.00 C ATOM 1497 C ASP A 127 6.240 -4.733 -2.274 1.00 0.00 C ATOM 1498 O ASP A 127 6.785 -4.026 -3.119 1.00 0.00 O ATOM 1499 CB ASP A 127 7.316 -6.894 -1.634 1.00 0.00 C ATOM 1500 CG ASP A 127 7.463 -8.358 -2.032 1.00 0.00 C ATOM 1501 OD1 ASP A 127 7.064 -8.693 -3.133 1.00 0.00 O ATOM 1502 OD2 ASP A 127 7.978 -9.122 -1.232 1.00 0.00 O ATOM 0 H ASP A 127 7.252 -6.388 -4.243 1.00 0.00 H new ATOM 0 HA ASP A 127 5.227 -6.608 -2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 127 8.252 -6.364 -1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 127 7.101 -6.817 -0.568 1.00 0.00 H new ATOM 1507 N CYS A 128 5.670 -4.241 -1.183 1.00 0.00 N ATOM 1508 CA CYS A 128 5.663 -2.808 -0.925 1.00 0.00 C ATOM 1509 C CYS A 128 6.516 -2.485 0.294 1.00 0.00 C ATOM 1510 O CYS A 128 6.131 -2.777 1.425 1.00 0.00 O ATOM 1511 CB CYS A 128 4.229 -2.330 -0.690 1.00 0.00 C ATOM 1512 SG CYS A 128 3.295 -2.466 -2.231 1.00 0.00 S ATOM 0 H CYS A 128 5.211 -4.806 -0.469 1.00 0.00 H new ATOM 0 HA CYS A 128 6.079 -2.295 -1.792 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.757 -2.929 0.089 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.230 -1.297 -0.342 1.00 0.00 H new ATOM 1517 N VAL A 129 7.669 -1.872 0.059 1.00 0.00 N ATOM 1518 CA VAL A 129 8.554 -1.511 1.164 1.00 0.00 C ATOM 1519 C VAL A 129 8.695 0.002 1.240 1.00 0.00 C ATOM 1520 O VAL A 129 8.414 0.697 0.263 1.00 0.00 O ATOM 1521 CB VAL A 129 9.935 -2.145 0.983 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.782 -3.602 0.548 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.718 -1.366 -0.078 1.00 0.00 C ATOM 0 H VAL A 129 8.011 -1.617 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 129 8.117 -1.885 2.090 1.00 0.00 H new ATOM 0 HB VAL A 129 10.476 -2.111 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.768 -4.049 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.230 -4.153 1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 129 9.239 -3.645 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.702 -1.817 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 129 10.177 -1.396 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.833 -0.330 0.242 1.00 0.00 H new ATOM 1533 N PRO A 130 9.124 0.536 2.357 1.00 0.00 N ATOM 1534 CA PRO A 130 9.293 2.003 2.501 1.00 0.00 C ATOM 1535 C PRO A 130 10.252 2.560 1.457 1.00 0.00 C ATOM 1536 O PRO A 130 11.152 1.865 0.985 1.00 0.00 O ATOM 1537 CB PRO A 130 9.853 2.193 3.911 1.00 0.00 C ATOM 1538 CG PRO A 130 9.537 0.935 4.642 1.00 0.00 C ATOM 1539 CD PRO A 130 9.492 -0.175 3.594 1.00 0.00 C ATOM 0 HA PRO A 130 8.353 2.535 2.352 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.928 2.371 3.885 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.399 3.055 4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.294 0.725 5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.582 1.017 5.161 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.455 -0.676 3.498 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.759 -0.940 3.851 1.00 0.00 H new ATOM 1547 N TYR A 131 10.035 3.809 1.098 1.00 0.00 N ATOM 1548 CA TYR A 131 10.868 4.464 0.103 1.00 0.00 C ATOM 1549 C TYR A 131 12.220 4.865 0.688 1.00 0.00 C ATOM 1550 O TYR A 131 12.993 5.579 0.049 1.00 0.00 O ATOM 1551 CB TYR A 131 10.155 5.694 -0.439 1.00 0.00 C ATOM 1552 CG TYR A 131 11.111 6.486 -1.287 1.00 0.00 C ATOM 1553 CD1 TYR A 131 11.772 5.874 -2.360 1.00 0.00 C ATOM 1554 CD2 TYR A 131 11.338 7.834 -1.001 1.00 0.00 C ATOM 1555 CE1 TYR A 131 12.662 6.615 -3.148 1.00 0.00 C ATOM 1556 CE2 TYR A 131 12.227 8.576 -1.786 1.00 0.00 C ATOM 1557 CZ TYR A 131 12.889 7.968 -2.861 1.00 0.00 C ATOM 1558 OH TYR A 131 13.763 8.703 -3.636 1.00 0.00 O ATOM 0 H TYR A 131 9.290 4.393 1.479 1.00 0.00 H new ATOM 0 HA TYR A 131 11.046 3.757 -0.707 1.00 0.00 H new ATOM 0 HB2 TYR A 131 9.288 5.396 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 131 9.786 6.307 0.383 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.595 4.831 -2.579 1.00 0.00 H new ATOM 0 HD2 TYR A 131 10.827 8.304 -0.174 1.00 0.00 H new ATOM 0 HE1 TYR A 131 13.172 6.145 -3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 131 12.403 9.618 -1.563 1.00 0.00 H new ATOM 0 HH TYR A 131 13.803 9.623 -3.301 1.00 0.00 H new ATOM 1568 N LYS A 132 12.500 4.404 1.903 1.00 0.00 N ATOM 1569 CA LYS A 132 13.765 4.726 2.555 1.00 0.00 C ATOM 1570 C LYS A 132 14.821 3.669 2.231 1.00 0.00 C ATOM 1571 O LYS A 132 14.989 3.282 1.074 1.00 0.00 O ATOM 1572 CB LYS A 132 13.569 4.821 4.075 1.00 0.00 C ATOM 1573 CG LYS A 132 12.701 6.038 4.423 1.00 0.00 C ATOM 1574 CD LYS A 132 12.528 6.116 5.947 1.00 0.00 C ATOM 1575 CE LYS A 132 11.639 7.307 6.319 1.00 0.00 C ATOM 1576 NZ LYS A 132 10.243 7.060 5.856 1.00 0.00 N ATOM 0 H LYS A 132 11.876 3.812 2.451 1.00 0.00 H new ATOM 0 HA LYS A 132 14.109 5.690 2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 132 13.097 3.911 4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 132 14.537 4.902 4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 132 13.167 6.950 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 132 11.728 5.956 3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 132 12.084 5.192 6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 132 13.502 6.216 6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 132 11.652 7.459 7.398 1.00 0.00 H new ATOM 0 HE3 LYS A 132 12.027 8.218 5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 9.599 7.732 6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 10.191 7.188 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 9.964 6.088 6.099 1.00 0.00 H new ATOM 1590 N VAL A 133 15.541 3.213 3.253 1.00 0.00 N ATOM 1591 CA VAL A 133 16.586 2.217 3.056 1.00 0.00 C ATOM 1592 C VAL A 133 16.031 0.800 3.153 1.00 0.00 C ATOM 1593 O VAL A 133 15.255 0.483 4.054 1.00 0.00 O ATOM 1594 CB VAL A 133 17.682 2.407 4.102 1.00 0.00 C ATOM 1595 CG1 VAL A 133 17.209 1.859 5.449 1.00 0.00 C ATOM 1596 CG2 VAL A 133 18.939 1.660 3.654 1.00 0.00 C ATOM 0 H VAL A 133 15.420 3.516 4.219 1.00 0.00 H new ATOM 0 HA VAL A 133 16.997 2.354 2.056 1.00 0.00 H new ATOM 0 HB VAL A 133 17.906 3.468 4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 133 17.993 1.996 6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 133 16.312 2.393 5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 133 16.984 0.797 5.351 1.00 0.00 H new ATOM 0 HG21 VAL A 133 19.725 1.792 4.397 1.00 0.00 H new ATOM 0 HG22 VAL A 133 18.714 0.599 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 133 19.275 2.056 2.696 1.00 0.00 H new ATOM 1606 N GLU A 134 16.441 -0.047 2.216 1.00 0.00 N ATOM 1607 CA GLU A 134 15.986 -1.430 2.195 1.00 0.00 C ATOM 1608 C GLU A 134 14.468 -1.480 2.052 1.00 0.00 C ATOM 1609 O GLU A 134 13.843 -0.444 2.217 1.00 0.00 O ATOM 1610 CB GLU A 134 16.400 -2.138 3.486 1.00 0.00 C ATOM 1611 CG GLU A 134 16.294 -3.651 3.289 1.00 0.00 C ATOM 1612 CD GLU A 134 16.481 -4.365 4.622 1.00 0.00 C ATOM 1613 OE1 GLU A 134 16.771 -3.694 5.595 1.00 0.00 O ATOM 1614 OE2 GLU A 134 16.334 -5.576 4.649 1.00 0.00 O ATOM 1615 OXT GLU A 134 13.952 -2.552 1.781 1.00 0.00 O ATOM 0 H GLU A 134 17.085 0.199 1.464 1.00 0.00 H new ATOM 0 HA GLU A 134 16.444 -1.935 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 134 17.421 -1.865 3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 134 15.760 -1.821 4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 134 15.322 -3.904 2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 134 17.049 -3.987 2.578 1.00 0.00 H new TER 1622 GLU A 134 HETATM 1623 C1 NAG A 135 15.763 1.740 -6.468 1.00 0.00 C HETATM 1624 C2 NAG A 135 16.653 1.361 -7.626 1.00 0.00 C HETATM 1625 C3 NAG A 135 17.850 0.594 -7.114 1.00 0.00 C HETATM 1626 C4 NAG A 135 18.594 1.441 -6.114 1.00 0.00 C HETATM 1627 C5 NAG A 135 17.653 1.863 -5.005 1.00 0.00 C HETATM 1628 C6 NAG A 135 18.330 2.820 -4.028 1.00 0.00 C HETATM 1629 C7 NAG A 135 16.127 0.676 -9.894 1.00 0.00 C HETATM 1630 C8 NAG A 135 15.310 -0.183 -10.831 1.00 0.00 C HETATM 1631 N2 NAG A 135 15.897 0.548 -8.590 1.00 0.00 N HETATM 1632 O3 NAG A 135 18.714 0.249 -8.208 1.00 0.00 O HETATM 1633 O4 NAG A 135 19.689 0.699 -5.560 1.00 0.00 O HETATM 1634 O5 NAG A 135 16.484 2.529 -5.545 1.00 0.00 O HETATM 1635 O6 NAG A 135 17.599 4.048 -3.903 1.00 0.00 O HETATM 1636 O7 NAG A 135 16.964 1.457 -10.351 1.00 0.00 O HETATM 0 HO6 NAG A 135 16.844 4.044 -4.528 1.00 0.00 H new HETATM 0 HO4 NAG A 135 20.413 1.314 -5.319 1.00 0.00 H new HETATM 0 HO3 NAG A 135 19.640 0.203 -7.891 1.00 0.00 H new HETATM 0 HN2 NAG A 135 15.196 -0.115 -8.259 1.00 0.00 H new HETATM 0 H83 NAG A 135 15.488 -1.235 -10.608 1.00 0.00 H new HETATM 0 H82 NAG A 135 14.251 0.042 -10.701 1.00 0.00 H new HETATM 0 H81 NAG A 135 15.601 0.024 -11.861 1.00 0.00 H new HETATM 0 H62 NAG A 135 18.414 2.345 -3.051 1.00 0.00 H new HETATM 0 H61 NAG A 135 19.344 3.032 -4.368 1.00 0.00 H new HETATM 0 H5 NAG A 135 17.361 0.953 -4.481 1.00 0.00 H new HETATM 0 H4 NAG A 135 18.983 2.326 -6.617 1.00 0.00 H new HETATM 0 H3 NAG A 135 17.515 -0.324 -6.631 1.00 0.00 H new HETATM 0 H2 NAG A 135 17.001 2.264 -8.129 1.00 0.00 H new