USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 TYR OH : rot -110:sc= 0.0682! USER MOD Set 1.2: A 80 GLN : amide:sc= -6.03! C(o=-6!,f=-8.7!) USER MOD Set 2.1: A 5 ASN : amide:sc= -0.491 K(o=-20,f=-23!) USER MOD Set 2.2: A 8 LYS NZ :NH3+ -160:sc= -3.42 (180deg=-1.72!) USER MOD Set 2.3: A 66 THR OG1 : rot 180:sc= -0.119 USER MOD Set 2.4: A 69 GLN : amide:sc= -15.5! C(o=-20!,f=-20!) USER MOD Set 3.1: A 18 HIS :FLIP no HE2:sc= -12.7! C(o=-17!,f=-16!) USER MOD Set 3.2: A 23 ASN : amide:sc= -3.34! C(o=-16!,f=-20!) USER MOD Single : A 11 SER OG : rot -48:sc= 0.479 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.855 F(o=-1.5,f=-0.86) USER MOD Single : A 14 CYS SG : rot -150:sc= -2.26! USER MOD Single : A 17 CYS SG : rot 11:sc= -1.11 USER MOD Single : A 19 MET CE :methyl 168:sc= -0.404 (180deg=-0.761) USER MOD Single : A 26 MET CE :methyl -118:sc= -6.96! (180deg=-15.7!) USER MOD Single : A 28 ASN : amide:sc= -1.7 X(o=-1.7,f=-1.5) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 85:sc= 1.14 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= -0.0551 (180deg=-0.39) USER MOD Single : A 38 GLN :FLIP amide:sc= -2.28! C(o=-4.2!,f=-2.3!) USER MOD Single : A 41 MET CE :methyl -167:sc= -7.79! (180deg=-8.28!) USER MOD Single : A 42 TYR OH : rot 120:sc= 0.96 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -4.8! C(o=-4.8!,f=-11!) USER MOD Single : A 52 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.13) USER MOD Single : A 53 HIS :FLIP no HE2:sc= -8.32! C(o=-12!,f=-8.3!) USER MOD Single : A 55 LYS NZ :NH3+ 146:sc= -0.12 (180deg=-0.454) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.151 F(o=-1.4,f=-0.15) USER MOD Single : A 58 MET CE :methyl 173:sc= -2.81! (180deg=-2.87!) USER MOD Single : A 71 GLN : amide:sc= -3.92! C(o=-3.9!,f=-9.5!) USER MOD Single : A 83 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.111) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 30.139 9.807 -19.992 1.00 0.00 N ATOM 14 CA ASP A 2 31.156 9.006 -19.266 1.00 0.00 C ATOM 15 C ASP A 2 31.034 7.546 -19.682 1.00 0.00 C ATOM 16 O ASP A 2 29.947 7.050 -19.899 1.00 0.00 O ATOM 17 CB ASP A 2 30.884 9.104 -17.766 1.00 0.00 C ATOM 18 CG ASP A 2 30.568 10.554 -17.396 1.00 0.00 C ATOM 19 OD1 ASP A 2 31.503 11.326 -17.256 1.00 0.00 O ATOM 20 OD2 ASP A 2 29.398 10.870 -17.257 1.00 0.00 O ATOM 0 HA ASP A 2 32.153 9.381 -19.498 1.00 0.00 H new ATOM 0 HB2 ASP A 2 30.049 8.458 -17.495 1.00 0.00 H new ATOM 0 HB3 ASP A 2 31.751 8.756 -17.205 1.00 0.00 H new ATOM 25 N LEU A 3 32.123 6.831 -19.757 1.00 0.00 N ATOM 26 CA LEU A 3 32.008 5.397 -20.117 1.00 0.00 C ATOM 27 C LEU A 3 31.488 4.632 -18.891 1.00 0.00 C ATOM 28 O LEU A 3 31.316 3.430 -18.917 1.00 0.00 O ATOM 29 CB LEU A 3 33.362 4.842 -20.608 1.00 0.00 C ATOM 30 CG LEU A 3 34.298 4.516 -19.441 1.00 0.00 C ATOM 31 CD1 LEU A 3 34.288 5.644 -18.406 1.00 0.00 C ATOM 32 CD2 LEU A 3 33.838 3.210 -18.808 1.00 0.00 C ATOM 0 H LEU A 3 33.069 7.173 -19.587 1.00 0.00 H new ATOM 0 HA LEU A 3 31.306 5.272 -20.941 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.193 3.943 -21.201 1.00 0.00 H new ATOM 0 HB3 LEU A 3 33.838 5.571 -21.263 1.00 0.00 H new ATOM 0 HG LEU A 3 35.320 4.414 -19.807 1.00 0.00 H new ATOM 0 HD11 LEU A 3 34.960 5.391 -17.586 1.00 0.00 H new ATOM 0 HD12 LEU A 3 34.620 6.571 -18.874 1.00 0.00 H new ATOM 0 HD13 LEU A 3 33.277 5.775 -18.020 1.00 0.00 H new ATOM 0 HD21 LEU A 3 34.493 2.960 -17.973 1.00 0.00 H new ATOM 0 HD22 LEU A 3 32.816 3.321 -18.447 1.00 0.00 H new ATOM 0 HD23 LEU A 3 33.876 2.413 -19.550 1.00 0.00 H new ATOM 44 N ALA A 4 31.199 5.334 -17.821 1.00 0.00 N ATOM 45 CA ALA A 4 30.656 4.675 -16.613 1.00 0.00 C ATOM 46 C ALA A 4 29.357 4.013 -17.030 1.00 0.00 C ATOM 47 O ALA A 4 29.065 2.883 -16.695 1.00 0.00 O ATOM 48 CB ALA A 4 30.374 5.739 -15.550 1.00 0.00 C ATOM 0 H ALA A 4 31.321 6.344 -17.742 1.00 0.00 H new ATOM 0 HA ALA A 4 31.354 3.946 -16.202 1.00 0.00 H new ATOM 0 HB1 ALA A 4 29.973 5.262 -14.655 1.00 0.00 H new ATOM 0 HB2 ALA A 4 31.299 6.259 -15.301 1.00 0.00 H new ATOM 0 HB3 ALA A 4 29.648 6.455 -15.936 1.00 0.00 H new ATOM 54 N ASN A 5 28.602 4.726 -17.806 1.00 0.00 N ATOM 55 CA ASN A 5 27.327 4.195 -18.327 1.00 0.00 C ATOM 56 C ASN A 5 27.610 2.832 -18.959 1.00 0.00 C ATOM 57 O ASN A 5 26.799 1.932 -18.929 1.00 0.00 O ATOM 58 CB ASN A 5 26.824 5.177 -19.378 1.00 0.00 C ATOM 59 CG ASN A 5 25.352 5.506 -19.116 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.790 5.084 -18.126 1.00 0.00 O ATOM 61 ND2 ASN A 5 24.700 6.248 -19.969 1.00 0.00 N ATOM 0 H ASN A 5 28.822 5.676 -18.106 1.00 0.00 H new ATOM 0 HA ASN A 5 26.577 4.078 -17.545 1.00 0.00 H new ATOM 0 HB2 ASN A 5 27.420 6.089 -19.352 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.939 4.749 -20.374 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.719 6.473 -19.804 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.171 6.603 -20.801 1.00 0.00 H new ATOM 68 N GLY A 6 28.775 2.686 -19.522 1.00 0.00 N ATOM 69 CA GLY A 6 29.161 1.393 -20.152 1.00 0.00 C ATOM 70 C GLY A 6 28.997 0.262 -19.131 1.00 0.00 C ATOM 71 O GLY A 6 28.429 -0.762 -19.419 1.00 0.00 O ATOM 0 H GLY A 6 29.485 3.416 -19.573 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.539 1.202 -21.027 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.193 1.438 -20.499 1.00 0.00 H new ATOM 75 N ALA A 7 29.489 0.436 -17.936 1.00 0.00 N ATOM 76 CA ALA A 7 29.348 -0.639 -16.916 1.00 0.00 C ATOM 77 C ALA A 7 27.900 -1.103 -16.881 1.00 0.00 C ATOM 78 O ALA A 7 27.620 -2.264 -16.680 1.00 0.00 O ATOM 79 CB ALA A 7 29.778 -0.111 -15.552 1.00 0.00 C ATOM 0 H ALA A 7 29.981 1.273 -17.623 1.00 0.00 H new ATOM 0 HA ALA A 7 29.985 -1.485 -17.174 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.674 -0.900 -14.807 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.819 0.210 -15.598 1.00 0.00 H new ATOM 0 HB3 ALA A 7 29.149 0.735 -15.275 1.00 0.00 H new ATOM 85 N LYS A 8 26.976 -0.221 -17.113 1.00 0.00 N ATOM 86 CA LYS A 8 25.559 -0.647 -17.139 1.00 0.00 C ATOM 87 C LYS A 8 25.406 -1.554 -18.359 1.00 0.00 C ATOM 88 O LYS A 8 24.808 -2.611 -18.305 1.00 0.00 O ATOM 89 CB LYS A 8 24.654 0.591 -17.244 1.00 0.00 C ATOM 90 CG LYS A 8 23.403 0.300 -18.098 1.00 0.00 C ATOM 91 CD LYS A 8 23.595 0.852 -19.519 1.00 0.00 C ATOM 92 CE LYS A 8 24.039 2.311 -19.444 1.00 0.00 C ATOM 93 NZ LYS A 8 23.066 3.168 -20.176 1.00 0.00 N ATOM 0 H LYS A 8 27.140 0.771 -17.285 1.00 0.00 H new ATOM 0 HA LYS A 8 25.272 -1.180 -16.233 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.350 0.908 -16.246 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.213 1.417 -17.684 1.00 0.00 H new ATOM 0 HG2 LYS A 8 23.222 -0.774 -18.138 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.525 0.754 -17.638 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.340 0.261 -20.052 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.664 0.773 -20.080 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.107 2.628 -18.403 1.00 0.00 H new ATOM 0 HE3 LYS A 8 25.033 2.422 -19.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.515 4.074 -20.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.765 2.686 -21.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.237 3.344 -19.574 1.00 0.00 H new ATOM 107 N VAL A 9 25.979 -1.141 -19.456 1.00 0.00 N ATOM 108 CA VAL A 9 25.925 -1.954 -20.699 1.00 0.00 C ATOM 109 C VAL A 9 26.631 -3.287 -20.457 1.00 0.00 C ATOM 110 O VAL A 9 26.009 -4.320 -20.358 1.00 0.00 O ATOM 111 CB VAL A 9 26.652 -1.210 -21.823 1.00 0.00 C ATOM 112 CG1 VAL A 9 26.403 -1.924 -23.152 1.00 0.00 C ATOM 113 CG2 VAL A 9 26.136 0.221 -21.906 1.00 0.00 C ATOM 0 H VAL A 9 26.489 -0.262 -19.543 1.00 0.00 H new ATOM 0 HA VAL A 9 24.885 -2.125 -20.978 1.00 0.00 H new ATOM 0 HB VAL A 9 27.722 -1.195 -21.615 1.00 0.00 H new ATOM 0 HG11 VAL A 9 26.920 -1.394 -23.952 1.00 0.00 H new ATOM 0 HG12 VAL A 9 26.777 -2.946 -23.092 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.333 -1.941 -23.361 1.00 0.00 H new ATOM 0 HG21 VAL A 9 26.654 0.749 -22.706 1.00 0.00 H new ATOM 0 HG22 VAL A 9 25.066 0.210 -22.112 1.00 0.00 H new ATOM 0 HG23 VAL A 9 26.318 0.729 -20.959 1.00 0.00 H new ATOM 123 N PHE A 10 27.932 -3.260 -20.375 1.00 0.00 N ATOM 124 CA PHE A 10 28.709 -4.504 -20.154 1.00 0.00 C ATOM 125 C PHE A 10 28.145 -5.309 -18.980 1.00 0.00 C ATOM 126 O PHE A 10 28.290 -6.513 -18.916 1.00 0.00 O ATOM 127 CB PHE A 10 30.159 -4.129 -19.859 1.00 0.00 C ATOM 128 CG PHE A 10 30.936 -5.394 -19.640 1.00 0.00 C ATOM 129 CD1 PHE A 10 30.771 -6.081 -18.444 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.792 -5.895 -20.628 1.00 0.00 C ATOM 131 CE1 PHE A 10 31.455 -7.265 -18.223 1.00 0.00 C ATOM 132 CE2 PHE A 10 32.483 -7.090 -20.406 1.00 0.00 C ATOM 133 CZ PHE A 10 32.313 -7.777 -19.200 1.00 0.00 C ATOM 0 H PHE A 10 28.495 -2.413 -20.453 1.00 0.00 H new ATOM 0 HA PHE A 10 28.645 -5.121 -21.050 1.00 0.00 H new ATOM 0 HB2 PHE A 10 30.581 -3.563 -20.689 1.00 0.00 H new ATOM 0 HB3 PHE A 10 30.215 -3.491 -18.977 1.00 0.00 H new ATOM 0 HD1 PHE A 10 30.108 -5.691 -17.685 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.918 -5.361 -21.558 1.00 0.00 H new ATOM 0 HE1 PHE A 10 31.325 -7.795 -17.291 1.00 0.00 H new ATOM 0 HE2 PHE A 10 33.146 -7.481 -21.164 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.844 -8.701 -19.024 1.00 0.00 H new ATOM 143 N SER A 11 27.511 -4.663 -18.053 1.00 0.00 N ATOM 144 CA SER A 11 26.947 -5.399 -16.883 1.00 0.00 C ATOM 145 C SER A 11 25.503 -5.781 -17.186 1.00 0.00 C ATOM 146 O SER A 11 24.666 -5.856 -16.308 1.00 0.00 O ATOM 147 CB SER A 11 26.995 -4.512 -15.637 1.00 0.00 C ATOM 148 OG SER A 11 26.649 -5.281 -14.496 1.00 0.00 O ATOM 0 H SER A 11 27.355 -3.655 -18.048 1.00 0.00 H new ATOM 0 HA SER A 11 27.536 -6.298 -16.699 1.00 0.00 H new ATOM 0 HB2 SER A 11 27.993 -4.090 -15.516 1.00 0.00 H new ATOM 0 HB3 SER A 11 26.306 -3.674 -15.747 1.00 0.00 H new ATOM 0 HG SER A 11 25.834 -5.793 -14.681 1.00 0.00 H new ATOM 154 N GLY A 12 25.210 -6.019 -18.430 1.00 0.00 N ATOM 155 CA GLY A 12 23.826 -6.395 -18.812 1.00 0.00 C ATOM 156 C GLY A 12 23.812 -7.146 -20.154 1.00 0.00 C ATOM 157 O GLY A 12 22.926 -7.935 -20.415 1.00 0.00 O ATOM 0 H GLY A 12 25.874 -5.969 -19.203 1.00 0.00 H new ATOM 0 HA2 GLY A 12 23.388 -7.022 -18.035 1.00 0.00 H new ATOM 0 HA3 GLY A 12 23.209 -5.500 -18.885 1.00 0.00 H new ATOM 161 N ASN A 13 24.769 -6.905 -21.012 1.00 0.00 N ATOM 162 CA ASN A 13 24.783 -7.603 -22.330 1.00 0.00 C ATOM 163 C ASN A 13 26.160 -8.226 -22.565 1.00 0.00 C ATOM 164 O ASN A 13 26.284 -9.362 -22.977 1.00 0.00 O ATOM 165 CB ASN A 13 24.502 -6.580 -23.436 1.00 0.00 C ATOM 166 CG ASN A 13 23.544 -5.510 -22.913 1.00 0.00 C ATOM 167 OD1 ASN A 13 24.031 -4.424 -22.374 1.00 0.00 O flip ATOM 168 ND2 ASN A 13 22.341 -5.661 -22.993 1.00 0.00 N flip ATOM 0 H ASN A 13 25.540 -6.256 -20.856 1.00 0.00 H new ATOM 0 HA ASN A 13 24.023 -8.385 -22.339 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.434 -6.119 -23.764 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.069 -7.077 -24.304 1.00 0.00 H new ATOM 0 HD21 ASN A 13 21.960 -6.509 -23.414 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.712 -4.940 -22.639 1.00 0.00 H new ATOM 175 N CYS A 14 27.193 -7.475 -22.316 1.00 0.00 N ATOM 176 CA CYS A 14 28.581 -7.980 -22.526 1.00 0.00 C ATOM 177 C CYS A 14 28.965 -8.923 -21.387 1.00 0.00 C ATOM 178 O CYS A 14 29.802 -9.787 -21.542 1.00 0.00 O ATOM 179 CB CYS A 14 29.527 -6.778 -22.568 1.00 0.00 C ATOM 180 SG CYS A 14 28.726 -5.399 -23.452 1.00 0.00 S ATOM 0 H CYS A 14 27.136 -6.517 -21.970 1.00 0.00 H new ATOM 0 HA CYS A 14 28.647 -8.533 -23.463 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.787 -6.472 -21.555 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.457 -7.052 -23.067 1.00 0.00 H new ATOM 0 HG CYS A 14 29.633 -4.673 -24.037 1.00 0.00 H new ATOM 185 N ALA A 15 28.354 -8.772 -20.251 1.00 0.00 N ATOM 186 CA ALA A 15 28.678 -9.666 -19.107 1.00 0.00 C ATOM 187 C ALA A 15 28.402 -11.128 -19.494 1.00 0.00 C ATOM 188 O ALA A 15 29.094 -12.033 -19.071 1.00 0.00 O ATOM 189 CB ALA A 15 27.803 -9.289 -17.909 1.00 0.00 C ATOM 0 H ALA A 15 27.642 -8.067 -20.063 1.00 0.00 H new ATOM 0 HA ALA A 15 29.731 -9.553 -18.848 1.00 0.00 H new ATOM 0 HB1 ALA A 15 28.037 -9.942 -17.068 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.996 -8.253 -17.629 1.00 0.00 H new ATOM 0 HB3 ALA A 15 26.752 -9.403 -18.176 1.00 0.00 H new ATOM 195 N ALA A 16 27.382 -11.361 -20.278 1.00 0.00 N ATOM 196 CA ALA A 16 27.029 -12.760 -20.676 1.00 0.00 C ATOM 197 C ALA A 16 28.168 -13.431 -21.457 1.00 0.00 C ATOM 198 O ALA A 16 28.462 -14.592 -21.254 1.00 0.00 O ATOM 199 CB ALA A 16 25.775 -12.733 -21.552 1.00 0.00 C ATOM 0 H ALA A 16 26.773 -10.639 -20.663 1.00 0.00 H new ATOM 0 HA ALA A 16 26.853 -13.335 -19.767 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.514 -13.750 -21.845 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.950 -12.293 -20.992 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.967 -12.137 -22.444 1.00 0.00 H new ATOM 205 N CYS A 17 28.801 -12.730 -22.357 1.00 0.00 N ATOM 206 CA CYS A 17 29.900 -13.361 -23.147 1.00 0.00 C ATOM 207 C CYS A 17 31.241 -12.795 -22.695 1.00 0.00 C ATOM 208 O CYS A 17 32.195 -12.760 -23.447 1.00 0.00 O ATOM 209 CB CYS A 17 29.697 -13.059 -24.628 1.00 0.00 C ATOM 210 SG CYS A 17 29.736 -14.599 -25.593 1.00 0.00 S ATOM 0 H CYS A 17 28.608 -11.754 -22.580 1.00 0.00 H new ATOM 0 HA CYS A 17 29.888 -14.439 -22.989 1.00 0.00 H new ATOM 0 HB2 CYS A 17 28.743 -12.552 -24.776 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.476 -12.382 -24.979 1.00 0.00 H new ATOM 0 HG CYS A 17 29.697 -15.618 -24.786 1.00 0.00 H new ATOM 215 N HIS A 18 31.324 -12.346 -21.476 1.00 0.00 N ATOM 216 CA HIS A 18 32.607 -11.777 -20.986 1.00 0.00 C ATOM 217 C HIS A 18 32.612 -11.789 -19.456 1.00 0.00 C ATOM 218 O HIS A 18 33.506 -12.323 -18.830 1.00 0.00 O ATOM 219 CB HIS A 18 32.738 -10.339 -21.494 1.00 0.00 C ATOM 220 CG HIS A 18 32.922 -10.340 -22.976 1.00 0.00 C ATOM 221 ND1 HIS A 18 32.042 -10.250 -24.025 1.00 0.00 N flip ATOM 222 CD2 HIS A 18 34.176 -10.441 -23.537 1.00 0.00 C flip ATOM 223 CE1 HIS A 18 32.747 -10.301 -25.223 1.00 0.00 C flip ATOM 224 NE2 HIS A 18 34.028 -10.416 -24.866 1.00 0.00 N flip ATOM 0 H HIS A 18 30.561 -12.348 -20.799 1.00 0.00 H new ATOM 0 HA HIS A 18 33.445 -12.371 -21.352 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.848 -9.768 -21.229 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.585 -9.850 -21.014 1.00 0.00 H new ATOM 0 HD1 HIS A 18 31.030 -10.160 -23.940 1.00 0.00 H new ATOM 0 HD2 HIS A 18 35.110 -10.525 -23.001 1.00 0.00 H new ATOM 0 HE1 HIS A 18 32.345 -10.257 -26.225 1.00 0.00 H new ATOM 232 N MET A 19 31.611 -11.205 -18.859 1.00 0.00 N ATOM 233 CA MET A 19 31.508 -11.164 -17.368 1.00 0.00 C ATOM 234 C MET A 19 32.883 -10.929 -16.734 1.00 0.00 C ATOM 235 O MET A 19 33.679 -11.835 -16.592 1.00 0.00 O ATOM 236 CB MET A 19 30.924 -12.483 -16.849 1.00 0.00 C ATOM 237 CG MET A 19 31.294 -13.628 -17.794 1.00 0.00 C ATOM 238 SD MET A 19 30.555 -15.169 -17.193 1.00 0.00 S ATOM 239 CE MET A 19 28.844 -14.803 -17.655 1.00 0.00 C ATOM 0 H MET A 19 30.844 -10.745 -19.349 1.00 0.00 H new ATOM 0 HA MET A 19 30.851 -10.339 -17.093 1.00 0.00 H new ATOM 0 HB2 MET A 19 31.304 -12.689 -15.848 1.00 0.00 H new ATOM 0 HB3 MET A 19 29.840 -12.403 -16.768 1.00 0.00 H new ATOM 0 HG2 MET A 19 30.940 -13.411 -18.802 1.00 0.00 H new ATOM 0 HG3 MET A 19 32.378 -13.730 -17.852 1.00 0.00 H new ATOM 0 HE1 MET A 19 28.242 -15.708 -17.569 1.00 0.00 H new ATOM 0 HE2 MET A 19 28.444 -14.037 -16.991 1.00 0.00 H new ATOM 0 HE3 MET A 19 28.814 -14.443 -18.684 1.00 0.00 H new ATOM 249 N GLY A 20 33.159 -9.716 -16.334 1.00 0.00 N ATOM 250 CA GLY A 20 34.474 -9.420 -15.697 1.00 0.00 C ATOM 251 C GLY A 20 35.584 -9.569 -16.736 1.00 0.00 C ATOM 252 O GLY A 20 36.556 -10.268 -16.525 1.00 0.00 O ATOM 0 H GLY A 20 32.530 -8.918 -16.421 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.474 -8.409 -15.290 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.648 -10.099 -14.863 1.00 0.00 H new ATOM 256 N GLY A 21 35.444 -8.917 -17.856 1.00 0.00 N ATOM 257 CA GLY A 21 36.475 -9.012 -18.919 1.00 0.00 C ATOM 258 C GLY A 21 36.940 -10.460 -19.041 1.00 0.00 C ATOM 259 O GLY A 21 38.107 -10.765 -18.902 1.00 0.00 O ATOM 0 H GLY A 21 34.650 -8.317 -18.080 1.00 0.00 H new ATOM 0 HA2 GLY A 21 36.067 -8.667 -19.869 1.00 0.00 H new ATOM 0 HA3 GLY A 21 37.320 -8.365 -18.681 1.00 0.00 H new ATOM 263 N GLY A 22 36.029 -11.358 -19.294 1.00 0.00 N ATOM 264 CA GLY A 22 36.411 -12.788 -19.422 1.00 0.00 C ATOM 265 C GLY A 22 35.498 -13.471 -20.443 1.00 0.00 C ATOM 266 O GLY A 22 34.488 -14.050 -20.097 1.00 0.00 O ATOM 0 H GLY A 22 35.036 -11.161 -19.417 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.451 -12.871 -19.736 1.00 0.00 H new ATOM 0 HA3 GLY A 22 36.329 -13.285 -18.455 1.00 0.00 H new ATOM 270 N ASN A 23 35.847 -13.407 -21.698 1.00 0.00 N ATOM 271 CA ASN A 23 35.000 -14.053 -22.741 1.00 0.00 C ATOM 272 C ASN A 23 34.719 -15.504 -22.343 1.00 0.00 C ATOM 273 O ASN A 23 35.429 -16.086 -21.546 1.00 0.00 O ATOM 274 CB ASN A 23 35.737 -14.022 -24.082 1.00 0.00 C ATOM 275 CG ASN A 23 34.744 -13.717 -25.205 1.00 0.00 C ATOM 276 OD1 ASN A 23 33.636 -14.214 -25.203 1.00 0.00 O ATOM 277 ND2 ASN A 23 35.099 -12.915 -26.172 1.00 0.00 N ATOM 0 H ASN A 23 36.682 -12.936 -22.047 1.00 0.00 H new ATOM 0 HA ASN A 23 34.057 -13.514 -22.832 1.00 0.00 H new ATOM 0 HB2 ASN A 23 36.521 -13.265 -24.060 1.00 0.00 H new ATOM 0 HB3 ASN A 23 36.224 -14.980 -24.263 1.00 0.00 H new ATOM 0 HD21 ASN A 23 34.446 -12.705 -26.927 1.00 0.00 H new ATOM 0 HD22 ASN A 23 36.030 -12.498 -26.173 1.00 0.00 H new ATOM 284 N VAL A 24 33.690 -16.094 -22.888 1.00 0.00 N ATOM 285 CA VAL A 24 33.371 -17.508 -22.535 1.00 0.00 C ATOM 286 C VAL A 24 33.324 -18.357 -23.807 1.00 0.00 C ATOM 287 O VAL A 24 33.268 -19.569 -23.752 1.00 0.00 O ATOM 288 CB VAL A 24 32.012 -17.569 -21.833 1.00 0.00 C ATOM 289 CG1 VAL A 24 32.015 -16.617 -20.636 1.00 0.00 C ATOM 290 CG2 VAL A 24 30.910 -17.157 -22.812 1.00 0.00 C ATOM 0 H VAL A 24 33.058 -15.660 -23.561 1.00 0.00 H new ATOM 0 HA VAL A 24 34.142 -17.894 -21.868 1.00 0.00 H new ATOM 0 HB VAL A 24 31.827 -18.586 -21.488 1.00 0.00 H new ATOM 0 HG11 VAL A 24 31.048 -16.659 -20.135 1.00 0.00 H new ATOM 0 HG12 VAL A 24 32.798 -16.912 -19.938 1.00 0.00 H new ATOM 0 HG13 VAL A 24 32.201 -15.600 -20.981 1.00 0.00 H new ATOM 0 HG21 VAL A 24 29.943 -17.201 -22.311 1.00 0.00 H new ATOM 0 HG22 VAL A 24 31.093 -16.140 -23.159 1.00 0.00 H new ATOM 0 HG23 VAL A 24 30.908 -17.836 -23.664 1.00 0.00 H new ATOM 300 N VAL A 25 33.351 -17.733 -24.950 1.00 0.00 N ATOM 301 CA VAL A 25 33.311 -18.506 -26.222 1.00 0.00 C ATOM 302 C VAL A 25 34.730 -18.615 -26.786 1.00 0.00 C ATOM 303 O VAL A 25 35.278 -19.691 -26.914 1.00 0.00 O ATOM 304 CB VAL A 25 32.407 -17.788 -27.226 1.00 0.00 C ATOM 305 CG1 VAL A 25 32.177 -18.689 -28.440 1.00 0.00 C ATOM 306 CG2 VAL A 25 31.063 -17.467 -26.566 1.00 0.00 C ATOM 0 H VAL A 25 33.399 -16.720 -25.059 1.00 0.00 H new ATOM 0 HA VAL A 25 32.916 -19.505 -26.036 1.00 0.00 H new ATOM 0 HB VAL A 25 32.884 -16.862 -27.546 1.00 0.00 H new ATOM 0 HG11 VAL A 25 31.533 -18.178 -29.156 1.00 0.00 H new ATOM 0 HG12 VAL A 25 33.133 -18.917 -28.911 1.00 0.00 H new ATOM 0 HG13 VAL A 25 31.700 -19.616 -28.120 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.419 -16.955 -27.282 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.585 -18.393 -26.245 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.227 -16.824 -25.701 1.00 0.00 H new ATOM 316 N MET A 26 35.328 -17.504 -27.122 1.00 0.00 N ATOM 317 CA MET A 26 36.713 -17.533 -27.674 1.00 0.00 C ATOM 318 C MET A 26 37.623 -18.346 -26.748 1.00 0.00 C ATOM 319 O MET A 26 37.177 -18.944 -25.790 1.00 0.00 O ATOM 320 CB MET A 26 37.246 -16.102 -27.777 1.00 0.00 C ATOM 321 CG MET A 26 36.991 -15.365 -26.459 1.00 0.00 C ATOM 322 SD MET A 26 38.405 -15.587 -25.353 1.00 0.00 S ATOM 323 CE MET A 26 37.663 -16.844 -24.284 1.00 0.00 C ATOM 0 H MET A 26 34.916 -16.575 -27.038 1.00 0.00 H new ATOM 0 HA MET A 26 36.698 -17.994 -28.662 1.00 0.00 H new ATOM 0 HB2 MET A 26 38.313 -16.115 -27.998 1.00 0.00 H new ATOM 0 HB3 MET A 26 36.757 -15.579 -28.599 1.00 0.00 H new ATOM 0 HG2 MET A 26 36.829 -14.304 -26.650 1.00 0.00 H new ATOM 0 HG3 MET A 26 36.085 -15.746 -25.988 1.00 0.00 H new ATOM 0 HE1 MET A 26 37.597 -16.462 -23.265 1.00 0.00 H new ATOM 0 HE2 MET A 26 36.664 -17.086 -24.646 1.00 0.00 H new ATOM 0 HE3 MET A 26 38.281 -17.742 -24.295 1.00 0.00 H new ATOM 333 N ALA A 27 38.899 -18.367 -27.026 1.00 0.00 N ATOM 334 CA ALA A 27 39.841 -19.134 -26.162 1.00 0.00 C ATOM 335 C ALA A 27 40.862 -18.176 -25.544 1.00 0.00 C ATOM 336 O ALA A 27 41.632 -18.545 -24.681 1.00 0.00 O ATOM 337 CB ALA A 27 40.571 -20.181 -27.004 1.00 0.00 C ATOM 0 H ALA A 27 39.330 -17.885 -27.815 1.00 0.00 H new ATOM 0 HA ALA A 27 39.282 -19.631 -25.369 1.00 0.00 H new ATOM 0 HB1 ALA A 27 41.259 -20.741 -26.371 1.00 0.00 H new ATOM 0 HB2 ALA A 27 39.845 -20.864 -27.444 1.00 0.00 H new ATOM 0 HB3 ALA A 27 41.130 -19.685 -27.798 1.00 0.00 H new ATOM 343 N ASN A 28 40.869 -16.945 -25.977 1.00 0.00 N ATOM 344 CA ASN A 28 41.828 -15.963 -25.418 1.00 0.00 C ATOM 345 C ASN A 28 41.251 -14.551 -25.548 1.00 0.00 C ATOM 346 O ASN A 28 41.419 -13.724 -24.676 1.00 0.00 O ATOM 347 CB ASN A 28 43.158 -16.052 -26.170 1.00 0.00 C ATOM 348 CG ASN A 28 43.013 -15.406 -27.550 1.00 0.00 C ATOM 349 OD1 ASN A 28 43.652 -14.414 -27.839 1.00 0.00 O ATOM 350 ND2 ASN A 28 42.192 -15.929 -28.419 1.00 0.00 N ATOM 0 H ASN A 28 40.247 -16.580 -26.698 1.00 0.00 H new ATOM 0 HA ASN A 28 41.999 -16.186 -24.365 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.942 -15.550 -25.603 1.00 0.00 H new ATOM 0 HB3 ASN A 28 43.459 -17.094 -26.275 1.00 0.00 H new ATOM 0 HD21 ASN A 28 42.087 -15.505 -29.341 1.00 0.00 H new ATOM 0 HD22 ASN A 28 41.655 -16.762 -28.177 1.00 0.00 H new ATOM 357 N LYS A 29 40.573 -14.273 -26.632 1.00 0.00 N ATOM 358 CA LYS A 29 39.982 -12.917 -26.824 1.00 0.00 C ATOM 359 C LYS A 29 39.270 -12.476 -25.544 1.00 0.00 C ATOM 360 O LYS A 29 38.097 -12.732 -25.355 1.00 0.00 O ATOM 361 CB LYS A 29 38.972 -12.965 -27.973 1.00 0.00 C ATOM 362 CG LYS A 29 39.360 -11.935 -29.037 1.00 0.00 C ATOM 363 CD LYS A 29 40.536 -12.468 -29.858 1.00 0.00 C ATOM 364 CE LYS A 29 40.735 -11.589 -31.094 1.00 0.00 C ATOM 365 NZ LYS A 29 41.434 -12.369 -32.155 1.00 0.00 N ATOM 0 H LYS A 29 40.403 -14.930 -27.394 1.00 0.00 H new ATOM 0 HA LYS A 29 40.776 -12.207 -27.058 1.00 0.00 H new ATOM 0 HB2 LYS A 29 38.949 -13.964 -28.410 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.969 -12.757 -27.599 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.510 -11.732 -29.689 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.631 -10.992 -28.563 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.443 -12.474 -29.253 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.346 -13.499 -30.158 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.771 -11.238 -31.462 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.318 -10.705 -30.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 41.569 -11.770 -32.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 42.360 -12.683 -31.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.861 -13.199 -32.410 1.00 0.00 H new ATOM 379 N THR A 30 39.969 -11.814 -24.664 1.00 0.00 N ATOM 380 CA THR A 30 39.336 -11.358 -23.400 1.00 0.00 C ATOM 381 C THR A 30 39.371 -9.830 -23.346 1.00 0.00 C ATOM 382 O THR A 30 40.243 -9.201 -23.913 1.00 0.00 O ATOM 383 CB THR A 30 40.113 -11.931 -22.215 1.00 0.00 C ATOM 384 OG1 THR A 30 40.386 -13.305 -22.454 1.00 0.00 O ATOM 385 CG2 THR A 30 39.285 -11.788 -20.938 1.00 0.00 C ATOM 0 H THR A 30 40.954 -11.570 -24.768 1.00 0.00 H new ATOM 0 HA THR A 30 38.302 -11.701 -23.356 1.00 0.00 H new ATOM 0 HB THR A 30 41.050 -11.387 -22.097 1.00 0.00 H new ATOM 0 HG1 THR A 30 41.201 -13.388 -22.992 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.842 -12.198 -20.095 1.00 0.00 H new ATOM 0 HG22 THR A 30 39.075 -10.734 -20.756 1.00 0.00 H new ATOM 0 HG23 THR A 30 38.346 -12.330 -21.050 1.00 0.00 H new ATOM 393 N LEU A 31 38.431 -9.224 -22.675 1.00 0.00 N ATOM 394 CA LEU A 31 38.423 -7.737 -22.596 1.00 0.00 C ATOM 395 C LEU A 31 39.445 -7.281 -21.559 1.00 0.00 C ATOM 396 O LEU A 31 39.708 -6.108 -21.414 1.00 0.00 O ATOM 397 CB LEU A 31 37.034 -7.239 -22.199 1.00 0.00 C ATOM 398 CG LEU A 31 35.943 -8.106 -22.862 1.00 0.00 C ATOM 399 CD1 LEU A 31 34.675 -7.273 -23.052 1.00 0.00 C ATOM 400 CD2 LEU A 31 36.405 -8.597 -24.238 1.00 0.00 C ATOM 0 H LEU A 31 37.672 -9.692 -22.180 1.00 0.00 H new ATOM 0 HA LEU A 31 38.680 -7.325 -23.572 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.925 -7.272 -21.115 1.00 0.00 H new ATOM 0 HB3 LEU A 31 36.914 -6.198 -22.500 1.00 0.00 H new ATOM 0 HG LEU A 31 35.748 -8.962 -22.216 1.00 0.00 H new ATOM 0 HD11 LEU A 31 33.904 -7.885 -23.520 1.00 0.00 H new ATOM 0 HD12 LEU A 31 34.321 -6.923 -22.082 1.00 0.00 H new ATOM 0 HD13 LEU A 31 34.895 -6.416 -23.689 1.00 0.00 H new ATOM 0 HD21 LEU A 31 35.622 -9.206 -24.689 1.00 0.00 H new ATOM 0 HD22 LEU A 31 36.612 -7.740 -24.879 1.00 0.00 H new ATOM 0 HD23 LEU A 31 37.310 -9.194 -24.126 1.00 0.00 H new ATOM 412 N LYS A 32 40.017 -8.200 -20.828 1.00 0.00 N ATOM 413 CA LYS A 32 41.008 -7.811 -19.787 1.00 0.00 C ATOM 414 C LYS A 32 42.084 -6.897 -20.384 1.00 0.00 C ATOM 415 O LYS A 32 42.264 -6.826 -21.579 1.00 0.00 O ATOM 416 CB LYS A 32 41.670 -9.063 -19.213 1.00 0.00 C ATOM 417 CG LYS A 32 40.766 -9.673 -18.141 1.00 0.00 C ATOM 418 CD LYS A 32 41.024 -11.178 -18.059 1.00 0.00 C ATOM 419 CE LYS A 32 42.290 -11.433 -17.239 1.00 0.00 C ATOM 420 NZ LYS A 32 43.235 -12.274 -18.028 1.00 0.00 N ATOM 0 H LYS A 32 39.840 -9.201 -20.908 1.00 0.00 H new ATOM 0 HA LYS A 32 40.486 -7.273 -18.995 1.00 0.00 H new ATOM 0 HB2 LYS A 32 41.851 -9.788 -20.007 1.00 0.00 H new ATOM 0 HB3 LYS A 32 42.640 -8.810 -18.785 1.00 0.00 H new ATOM 0 HG2 LYS A 32 40.961 -9.206 -17.176 1.00 0.00 H new ATOM 0 HG3 LYS A 32 39.720 -9.484 -18.381 1.00 0.00 H new ATOM 0 HD2 LYS A 32 40.172 -11.679 -17.599 1.00 0.00 H new ATOM 0 HD3 LYS A 32 41.136 -11.594 -19.060 1.00 0.00 H new ATOM 0 HE2 LYS A 32 42.762 -10.486 -16.976 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.036 -11.933 -16.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 44.095 -12.447 -17.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 42.783 -13.182 -18.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 43.487 -11.781 -18.908 1.00 0.00 H new ATOM 434 N LYS A 33 42.803 -6.197 -19.553 1.00 0.00 N ATOM 435 CA LYS A 33 43.867 -5.283 -20.061 1.00 0.00 C ATOM 436 C LYS A 33 45.032 -6.095 -20.634 1.00 0.00 C ATOM 437 O LYS A 33 45.764 -5.627 -21.483 1.00 0.00 O ATOM 438 CB LYS A 33 44.368 -4.411 -18.899 1.00 0.00 C ATOM 439 CG LYS A 33 45.745 -3.830 -19.234 1.00 0.00 C ATOM 440 CD LYS A 33 45.653 -3.017 -20.525 1.00 0.00 C ATOM 441 CE LYS A 33 45.580 -1.528 -20.184 1.00 0.00 C ATOM 442 NZ LYS A 33 46.901 -1.074 -19.665 1.00 0.00 N ATOM 0 H LYS A 33 42.700 -6.218 -18.538 1.00 0.00 H new ATOM 0 HA LYS A 33 43.458 -4.653 -20.851 1.00 0.00 H new ATOM 0 HB2 LYS A 33 43.661 -3.604 -18.708 1.00 0.00 H new ATOM 0 HB3 LYS A 33 44.427 -5.005 -17.987 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.094 -3.198 -18.417 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.473 -4.633 -19.348 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.520 -3.215 -21.155 1.00 0.00 H new ATOM 0 HD3 LYS A 33 44.772 -3.315 -21.093 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.308 -0.954 -21.070 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.804 -1.352 -19.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 47.020 -0.059 -19.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.946 -1.238 -18.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 47.660 -1.607 -20.134 1.00 0.00 H new ATOM 456 N GLU A 34 45.230 -7.293 -20.164 1.00 0.00 N ATOM 457 CA GLU A 34 46.363 -8.105 -20.665 1.00 0.00 C ATOM 458 C GLU A 34 46.010 -8.761 -22.002 1.00 0.00 C ATOM 459 O GLU A 34 46.651 -8.527 -23.008 1.00 0.00 O ATOM 460 CB GLU A 34 46.694 -9.188 -19.638 1.00 0.00 C ATOM 461 CG GLU A 34 47.837 -8.708 -18.742 1.00 0.00 C ATOM 462 CD GLU A 34 49.038 -9.640 -18.907 1.00 0.00 C ATOM 463 OE1 GLU A 34 49.642 -9.614 -19.967 1.00 0.00 O ATOM 464 OE2 GLU A 34 49.334 -10.364 -17.970 1.00 0.00 O ATOM 0 H GLU A 34 44.653 -7.743 -19.453 1.00 0.00 H new ATOM 0 HA GLU A 34 47.224 -7.454 -20.816 1.00 0.00 H new ATOM 0 HB2 GLU A 34 45.815 -9.413 -19.035 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.978 -10.110 -20.145 1.00 0.00 H new ATOM 0 HG2 GLU A 34 48.116 -7.688 -19.005 1.00 0.00 H new ATOM 0 HG3 GLU A 34 47.515 -8.692 -17.701 1.00 0.00 H new ATOM 471 N ALA A 35 45.016 -9.600 -22.015 1.00 0.00 N ATOM 472 CA ALA A 35 44.641 -10.297 -23.274 1.00 0.00 C ATOM 473 C ALA A 35 43.979 -9.340 -24.259 1.00 0.00 C ATOM 474 O ALA A 35 44.177 -9.456 -25.452 1.00 0.00 O ATOM 475 CB ALA A 35 43.681 -11.445 -22.955 1.00 0.00 C ATOM 0 H ALA A 35 44.444 -9.835 -21.204 1.00 0.00 H new ATOM 0 HA ALA A 35 45.550 -10.686 -23.733 1.00 0.00 H new ATOM 0 HB1 ALA A 35 43.406 -11.956 -23.878 1.00 0.00 H new ATOM 0 HB2 ALA A 35 44.168 -12.150 -22.281 1.00 0.00 H new ATOM 0 HB3 ALA A 35 42.784 -11.048 -22.479 1.00 0.00 H new ATOM 481 N LEU A 36 43.203 -8.394 -23.810 1.00 0.00 N ATOM 482 CA LEU A 36 42.581 -7.486 -24.794 1.00 0.00 C ATOM 483 C LEU A 36 43.700 -6.698 -25.478 1.00 0.00 C ATOM 484 O LEU A 36 43.715 -6.532 -26.681 1.00 0.00 O ATOM 485 CB LEU A 36 41.552 -6.574 -24.122 1.00 0.00 C ATOM 486 CG LEU A 36 42.177 -5.251 -23.725 1.00 0.00 C ATOM 487 CD1 LEU A 36 42.336 -4.376 -24.970 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.253 -4.563 -22.740 1.00 0.00 C ATOM 0 H LEU A 36 42.980 -8.217 -22.830 1.00 0.00 H new ATOM 0 HA LEU A 36 42.032 -8.053 -25.546 1.00 0.00 H new ATOM 0 HB2 LEU A 36 40.718 -6.397 -24.802 1.00 0.00 H new ATOM 0 HB3 LEU A 36 41.145 -7.067 -23.240 1.00 0.00 H new ATOM 0 HG LEU A 36 43.155 -5.414 -23.272 1.00 0.00 H new ATOM 0 HD11 LEU A 36 42.785 -3.423 -24.690 1.00 0.00 H new ATOM 0 HD12 LEU A 36 42.978 -4.882 -25.691 1.00 0.00 H new ATOM 0 HD13 LEU A 36 41.358 -4.199 -25.417 1.00 0.00 H new ATOM 0 HD21 LEU A 36 41.685 -3.608 -22.442 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.284 -4.392 -23.209 1.00 0.00 H new ATOM 0 HD23 LEU A 36 41.124 -5.194 -21.860 1.00 0.00 H new ATOM 500 N GLU A 37 44.652 -6.228 -24.719 1.00 0.00 N ATOM 501 CA GLU A 37 45.772 -5.474 -25.322 1.00 0.00 C ATOM 502 C GLU A 37 46.897 -6.446 -25.676 1.00 0.00 C ATOM 503 O GLU A 37 48.004 -6.049 -25.980 1.00 0.00 O ATOM 504 CB GLU A 37 46.282 -4.426 -24.335 1.00 0.00 C ATOM 505 CG GLU A 37 45.894 -3.040 -24.847 1.00 0.00 C ATOM 506 CD GLU A 37 47.102 -2.105 -24.774 1.00 0.00 C ATOM 507 OE1 GLU A 37 47.353 -1.575 -23.703 1.00 0.00 O ATOM 508 OE2 GLU A 37 47.756 -1.935 -25.789 1.00 0.00 O ATOM 0 H GLU A 37 44.697 -6.337 -23.706 1.00 0.00 H new ATOM 0 HA GLU A 37 45.429 -4.969 -26.225 1.00 0.00 H new ATOM 0 HB2 GLU A 37 45.854 -4.597 -23.347 1.00 0.00 H new ATOM 0 HB3 GLU A 37 47.364 -4.501 -24.230 1.00 0.00 H new ATOM 0 HG2 GLU A 37 45.537 -3.108 -25.875 1.00 0.00 H new ATOM 0 HG3 GLU A 37 45.075 -2.638 -24.251 1.00 0.00 H new ATOM 515 N GLN A 38 46.612 -7.719 -25.658 1.00 0.00 N ATOM 516 CA GLN A 38 47.635 -8.722 -26.009 1.00 0.00 C ATOM 517 C GLN A 38 47.673 -8.812 -27.526 1.00 0.00 C ATOM 518 O GLN A 38 48.709 -8.728 -28.154 1.00 0.00 O ATOM 519 CB GLN A 38 47.235 -10.076 -25.407 1.00 0.00 C ATOM 520 CG GLN A 38 47.841 -11.208 -26.233 1.00 0.00 C ATOM 521 CD GLN A 38 49.336 -10.941 -26.411 1.00 0.00 C ATOM 522 OE1 GLN A 38 49.955 -10.188 -25.542 1.00 0.00 O flip ATOM 523 NE2 GLN A 38 49.945 -11.419 -27.347 1.00 0.00 N flip ATOM 0 H GLN A 38 45.700 -8.103 -25.411 1.00 0.00 H new ATOM 0 HA GLN A 38 48.616 -8.446 -25.621 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.580 -10.142 -24.375 1.00 0.00 H new ATOM 0 HB3 GLN A 38 46.149 -10.169 -25.387 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.685 -12.165 -25.734 1.00 0.00 H new ATOM 0 HG3 GLN A 38 47.350 -11.271 -27.204 1.00 0.00 H new ATOM 0 HE21 GLN A 38 49.459 -12.007 -28.025 1.00 0.00 H new ATOM 0 HE22 GLN A 38 50.942 -11.233 -27.455 1.00 0.00 H new ATOM 532 N PHE A 39 46.524 -8.964 -28.112 1.00 0.00 N ATOM 533 CA PHE A 39 46.449 -9.040 -29.591 1.00 0.00 C ATOM 534 C PHE A 39 46.340 -7.638 -30.190 1.00 0.00 C ATOM 535 O PHE A 39 46.983 -7.325 -31.173 1.00 0.00 O ATOM 536 CB PHE A 39 45.251 -9.876 -30.043 1.00 0.00 C ATOM 537 CG PHE A 39 44.225 -10.027 -28.945 1.00 0.00 C ATOM 538 CD1 PHE A 39 43.430 -8.940 -28.548 1.00 0.00 C ATOM 539 CD2 PHE A 39 44.054 -11.276 -28.335 1.00 0.00 C ATOM 540 CE1 PHE A 39 42.473 -9.110 -27.547 1.00 0.00 C ATOM 541 CE2 PHE A 39 43.097 -11.440 -27.329 1.00 0.00 C ATOM 542 CZ PHE A 39 42.305 -10.359 -26.937 1.00 0.00 C ATOM 0 H PHE A 39 45.629 -9.039 -27.628 1.00 0.00 H new ATOM 0 HA PHE A 39 47.363 -9.519 -29.943 1.00 0.00 H new ATOM 0 HB2 PHE A 39 44.788 -9.407 -30.911 1.00 0.00 H new ATOM 0 HB3 PHE A 39 45.594 -10.862 -30.358 1.00 0.00 H new ATOM 0 HD1 PHE A 39 43.559 -7.975 -29.016 1.00 0.00 H new ATOM 0 HD2 PHE A 39 44.662 -12.114 -28.642 1.00 0.00 H new ATOM 0 HE1 PHE A 39 41.860 -8.275 -27.242 1.00 0.00 H new ATOM 0 HE2 PHE A 39 42.970 -12.402 -26.855 1.00 0.00 H new ATOM 0 HZ PHE A 39 41.563 -10.486 -26.163 1.00 0.00 H new ATOM 552 N GLY A 40 45.542 -6.786 -29.613 1.00 0.00 N ATOM 553 CA GLY A 40 45.417 -5.406 -30.166 1.00 0.00 C ATOM 554 C GLY A 40 43.947 -5.052 -30.425 1.00 0.00 C ATOM 555 O GLY A 40 43.463 -5.133 -31.536 1.00 0.00 O ATOM 0 H GLY A 40 44.974 -6.981 -28.789 1.00 0.00 H new ATOM 0 HA2 GLY A 40 45.850 -4.690 -29.468 1.00 0.00 H new ATOM 0 HA3 GLY A 40 45.983 -5.329 -31.094 1.00 0.00 H new ATOM 559 N MET A 41 43.243 -4.638 -29.408 1.00 0.00 N ATOM 560 CA MET A 41 41.811 -4.247 -29.585 1.00 0.00 C ATOM 561 C MET A 41 41.411 -3.336 -28.427 1.00 0.00 C ATOM 562 O MET A 41 40.256 -3.229 -28.064 1.00 0.00 O ATOM 563 CB MET A 41 40.928 -5.483 -29.585 1.00 0.00 C ATOM 564 CG MET A 41 41.212 -6.290 -28.329 1.00 0.00 C ATOM 565 SD MET A 41 39.890 -6.016 -27.121 1.00 0.00 S ATOM 566 CE MET A 41 39.681 -7.738 -26.599 1.00 0.00 C ATOM 0 H MET A 41 43.598 -4.552 -28.456 1.00 0.00 H new ATOM 0 HA MET A 41 41.687 -3.728 -30.536 1.00 0.00 H new ATOM 0 HB2 MET A 41 39.877 -5.196 -29.619 1.00 0.00 H new ATOM 0 HB3 MET A 41 41.123 -6.085 -30.472 1.00 0.00 H new ATOM 0 HG2 MET A 41 41.282 -7.350 -28.573 1.00 0.00 H new ATOM 0 HG3 MET A 41 42.173 -5.997 -27.905 1.00 0.00 H new ATOM 0 HE1 MET A 41 38.759 -7.835 -26.025 1.00 0.00 H new ATOM 0 HE2 MET A 41 39.631 -8.381 -27.478 1.00 0.00 H new ATOM 0 HE3 MET A 41 40.527 -8.036 -25.980 1.00 0.00 H new ATOM 576 N TYR A 42 42.376 -2.686 -27.845 1.00 0.00 N ATOM 577 CA TYR A 42 42.117 -1.773 -26.702 1.00 0.00 C ATOM 578 C TYR A 42 41.705 -0.395 -27.239 1.00 0.00 C ATOM 579 O TYR A 42 41.720 0.590 -26.533 1.00 0.00 O ATOM 580 CB TYR A 42 43.425 -1.674 -25.906 1.00 0.00 C ATOM 581 CG TYR A 42 43.225 -0.930 -24.599 1.00 0.00 C ATOM 582 CD1 TYR A 42 43.287 0.469 -24.571 1.00 0.00 C ATOM 583 CD2 TYR A 42 42.991 -1.639 -23.411 1.00 0.00 C ATOM 584 CE1 TYR A 42 43.112 1.158 -23.366 1.00 0.00 C ATOM 585 CE2 TYR A 42 42.816 -0.948 -22.206 1.00 0.00 C ATOM 586 CZ TYR A 42 42.877 0.449 -22.183 1.00 0.00 C ATOM 587 OH TYR A 42 42.705 1.129 -20.995 1.00 0.00 O ATOM 0 H TYR A 42 43.356 -2.751 -28.121 1.00 0.00 H new ATOM 0 HA TYR A 42 41.313 -2.142 -26.065 1.00 0.00 H new ATOM 0 HB2 TYR A 42 43.805 -2.675 -25.702 1.00 0.00 H new ATOM 0 HB3 TYR A 42 44.179 -1.163 -26.505 1.00 0.00 H new ATOM 0 HD1 TYR A 42 43.471 1.018 -25.483 1.00 0.00 H new ATOM 0 HD2 TYR A 42 42.946 -2.718 -23.426 1.00 0.00 H new ATOM 0 HE1 TYR A 42 43.158 2.237 -23.349 1.00 0.00 H new ATOM 0 HE2 TYR A 42 42.634 -1.495 -21.293 1.00 0.00 H new ATOM 0 HH TYR A 42 41.817 0.931 -20.630 1.00 0.00 H new ATOM 597 N SER A 43 41.341 -0.315 -28.490 1.00 0.00 N ATOM 598 CA SER A 43 40.950 1.003 -29.060 1.00 0.00 C ATOM 599 C SER A 43 39.431 1.105 -29.223 1.00 0.00 C ATOM 600 O SER A 43 38.780 0.205 -29.722 1.00 0.00 O ATOM 601 CB SER A 43 41.611 1.178 -30.418 1.00 0.00 C ATOM 602 OG SER A 43 42.393 2.363 -30.417 1.00 0.00 O ATOM 0 H SER A 43 41.298 -1.102 -29.138 1.00 0.00 H new ATOM 0 HA SER A 43 41.277 1.785 -28.375 1.00 0.00 H new ATOM 0 HB2 SER A 43 42.239 0.316 -30.642 1.00 0.00 H new ATOM 0 HB3 SER A 43 40.852 1.231 -31.199 1.00 0.00 H new ATOM 0 HG SER A 43 42.820 2.474 -31.292 1.00 0.00 H new ATOM 608 N GLU A 44 38.871 2.213 -28.817 1.00 0.00 N ATOM 609 CA GLU A 44 37.407 2.421 -28.956 1.00 0.00 C ATOM 610 C GLU A 44 36.967 1.984 -30.347 1.00 0.00 C ATOM 611 O GLU A 44 36.150 1.113 -30.490 1.00 0.00 O ATOM 612 CB GLU A 44 37.092 3.906 -28.762 1.00 0.00 C ATOM 613 CG GLU A 44 36.438 4.116 -27.396 1.00 0.00 C ATOM 614 CD GLU A 44 37.017 5.372 -26.743 1.00 0.00 C ATOM 615 OE1 GLU A 44 38.222 5.418 -26.556 1.00 0.00 O ATOM 616 OE2 GLU A 44 36.246 6.268 -26.439 1.00 0.00 O ATOM 0 H GLU A 44 39.375 2.990 -28.390 1.00 0.00 H new ATOM 0 HA GLU A 44 36.876 1.834 -28.207 1.00 0.00 H new ATOM 0 HB2 GLU A 44 38.007 4.495 -28.833 1.00 0.00 H new ATOM 0 HB3 GLU A 44 36.427 4.254 -29.552 1.00 0.00 H new ATOM 0 HG2 GLU A 44 35.359 4.216 -27.509 1.00 0.00 H new ATOM 0 HG3 GLU A 44 36.613 3.248 -26.760 1.00 0.00 H new ATOM 623 N ASP A 45 37.498 2.582 -31.374 1.00 0.00 N ATOM 624 CA ASP A 45 37.092 2.191 -32.751 1.00 0.00 C ATOM 625 C ASP A 45 37.122 0.664 -32.907 1.00 0.00 C ATOM 626 O ASP A 45 36.282 0.085 -33.568 1.00 0.00 O ATOM 627 CB ASP A 45 38.043 2.822 -33.755 1.00 0.00 C ATOM 628 CG ASP A 45 37.600 2.473 -35.177 1.00 0.00 C ATOM 629 OD1 ASP A 45 36.410 2.292 -35.377 1.00 0.00 O ATOM 630 OD2 ASP A 45 38.458 2.393 -36.040 1.00 0.00 O ATOM 0 H ASP A 45 38.195 3.324 -31.320 1.00 0.00 H new ATOM 0 HA ASP A 45 36.076 2.542 -32.932 1.00 0.00 H new ATOM 0 HB2 ASP A 45 38.059 3.904 -33.624 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.058 2.465 -33.582 1.00 0.00 H new ATOM 635 N ALA A 46 38.084 0.009 -32.314 1.00 0.00 N ATOM 636 CA ALA A 46 38.172 -1.476 -32.439 1.00 0.00 C ATOM 637 C ALA A 46 36.918 -2.135 -31.865 1.00 0.00 C ATOM 638 O ALA A 46 36.072 -2.626 -32.587 1.00 0.00 O ATOM 639 CB ALA A 46 39.398 -1.977 -31.674 1.00 0.00 C ATOM 0 H ALA A 46 38.815 0.439 -31.747 1.00 0.00 H new ATOM 0 HA ALA A 46 38.258 -1.736 -33.494 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.465 -3.061 -31.764 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.297 -1.523 -32.090 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.307 -1.705 -30.622 1.00 0.00 H new ATOM 645 N ILE A 47 36.803 -2.157 -30.572 1.00 0.00 N ATOM 646 CA ILE A 47 35.619 -2.792 -29.927 1.00 0.00 C ATOM 647 C ILE A 47 34.350 -2.021 -30.273 1.00 0.00 C ATOM 648 O ILE A 47 33.250 -2.461 -30.014 1.00 0.00 O ATOM 649 CB ILE A 47 35.843 -2.777 -28.429 1.00 0.00 C ATOM 650 CG1 ILE A 47 34.741 -3.543 -27.707 1.00 0.00 C ATOM 651 CG2 ILE A 47 35.836 -1.345 -27.917 1.00 0.00 C ATOM 652 CD1 ILE A 47 34.950 -3.374 -26.199 1.00 0.00 C ATOM 0 H ILE A 47 37.483 -1.759 -29.925 1.00 0.00 H new ATOM 0 HA ILE A 47 35.500 -3.815 -30.285 1.00 0.00 H new ATOM 0 HB ILE A 47 36.806 -3.249 -28.233 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.761 -3.166 -28.000 1.00 0.00 H new ATOM 0 HG13 ILE A 47 34.770 -4.598 -27.979 1.00 0.00 H new ATOM 0 HG21 ILE A 47 35.998 -1.343 -26.839 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.631 -0.781 -28.404 1.00 0.00 H new ATOM 0 HG23 ILE A 47 34.874 -0.883 -28.140 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.171 -3.915 -25.661 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.926 -3.771 -25.920 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.901 -2.316 -25.941 1.00 0.00 H new ATOM 664 N ILE A 48 34.499 -0.884 -30.873 1.00 0.00 N ATOM 665 CA ILE A 48 33.308 -0.081 -31.261 1.00 0.00 C ATOM 666 C ILE A 48 32.734 -0.691 -32.540 1.00 0.00 C ATOM 667 O ILE A 48 31.536 -0.755 -32.733 1.00 0.00 O ATOM 668 CB ILE A 48 33.728 1.379 -31.487 1.00 0.00 C ATOM 669 CG1 ILE A 48 33.768 2.112 -30.147 1.00 0.00 C ATOM 670 CG2 ILE A 48 32.729 2.090 -32.392 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.250 3.545 -30.372 1.00 0.00 C ATOM 0 H ILE A 48 35.399 -0.469 -31.115 1.00 0.00 H new ATOM 0 HA ILE A 48 32.551 -0.094 -30.477 1.00 0.00 H new ATOM 0 HB ILE A 48 34.712 1.384 -31.956 1.00 0.00 H new ATOM 0 HG12 ILE A 48 32.778 2.116 -29.691 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.435 1.596 -29.456 1.00 0.00 H new ATOM 0 HG21 ILE A 48 33.044 3.123 -32.540 1.00 0.00 H new ATOM 0 HG22 ILE A 48 32.685 1.582 -33.355 1.00 0.00 H new ATOM 0 HG23 ILE A 48 31.743 2.074 -31.928 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.280 4.073 -29.419 1.00 0.00 H new ATOM 0 HD12 ILE A 48 35.248 3.529 -30.810 1.00 0.00 H new ATOM 0 HD13 ILE A 48 33.566 4.057 -31.048 1.00 0.00 H new ATOM 683 N TYR A 49 33.592 -1.176 -33.396 1.00 0.00 N ATOM 684 CA TYR A 49 33.118 -1.825 -34.647 1.00 0.00 C ATOM 685 C TYR A 49 32.947 -3.322 -34.374 1.00 0.00 C ATOM 686 O TYR A 49 32.328 -4.041 -35.130 1.00 0.00 O ATOM 687 CB TYR A 49 34.147 -1.630 -35.757 1.00 0.00 C ATOM 688 CG TYR A 49 33.663 -2.353 -36.986 1.00 0.00 C ATOM 689 CD1 TYR A 49 33.891 -3.727 -37.125 1.00 0.00 C ATOM 690 CD2 TYR A 49 32.972 -1.652 -37.979 1.00 0.00 C ATOM 691 CE1 TYR A 49 33.427 -4.400 -38.260 1.00 0.00 C ATOM 692 CE2 TYR A 49 32.510 -2.325 -39.113 1.00 0.00 C ATOM 693 CZ TYR A 49 32.736 -3.699 -39.255 1.00 0.00 C ATOM 694 OH TYR A 49 32.278 -4.362 -40.374 1.00 0.00 O ATOM 0 H TYR A 49 34.605 -1.149 -33.280 1.00 0.00 H new ATOM 0 HA TYR A 49 32.173 -1.382 -34.960 1.00 0.00 H new ATOM 0 HB2 TYR A 49 34.280 -0.569 -35.969 1.00 0.00 H new ATOM 0 HB3 TYR A 49 35.118 -2.017 -35.447 1.00 0.00 H new ATOM 0 HD1 TYR A 49 34.425 -4.267 -36.357 1.00 0.00 H new ATOM 0 HD2 TYR A 49 32.796 -0.592 -37.870 1.00 0.00 H new ATOM 0 HE1 TYR A 49 33.602 -5.460 -38.369 1.00 0.00 H new ATOM 0 HE2 TYR A 49 31.978 -1.784 -39.881 1.00 0.00 H new ATOM 0 HH TYR A 49 31.819 -3.729 -40.964 1.00 0.00 H new ATOM 704 N GLN A 50 33.491 -3.792 -33.286 1.00 0.00 N ATOM 705 CA GLN A 50 33.358 -5.231 -32.943 1.00 0.00 C ATOM 706 C GLN A 50 32.099 -5.397 -32.083 1.00 0.00 C ATOM 707 O GLN A 50 31.567 -6.479 -31.939 1.00 0.00 O ATOM 708 CB GLN A 50 34.641 -5.672 -32.204 1.00 0.00 C ATOM 709 CG GLN A 50 34.367 -6.729 -31.124 1.00 0.00 C ATOM 710 CD GLN A 50 34.741 -8.110 -31.665 1.00 0.00 C ATOM 711 OE1 GLN A 50 35.329 -8.222 -32.723 1.00 0.00 O ATOM 712 NE2 GLN A 50 34.441 -9.172 -30.972 1.00 0.00 N ATOM 0 H GLN A 50 34.024 -3.236 -32.618 1.00 0.00 H new ATOM 0 HA GLN A 50 33.250 -5.860 -33.827 1.00 0.00 H new ATOM 0 HB2 GLN A 50 35.353 -6.072 -32.926 1.00 0.00 H new ATOM 0 HB3 GLN A 50 35.109 -4.801 -31.745 1.00 0.00 H new ATOM 0 HG2 GLN A 50 34.945 -6.508 -30.227 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.315 -6.710 -30.838 1.00 0.00 H new ATOM 0 HE21 GLN A 50 33.948 -9.079 -30.084 1.00 0.00 H new ATOM 0 HE22 GLN A 50 34.700 -10.096 -31.317 1.00 0.00 H new ATOM 721 N VAL A 51 31.610 -4.318 -31.526 1.00 0.00 N ATOM 722 CA VAL A 51 30.378 -4.389 -30.688 1.00 0.00 C ATOM 723 C VAL A 51 29.151 -4.071 -31.549 1.00 0.00 C ATOM 724 O VAL A 51 28.135 -4.735 -31.487 1.00 0.00 O ATOM 725 CB VAL A 51 30.460 -3.343 -29.580 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.117 -3.271 -28.851 1.00 0.00 C ATOM 727 CG2 VAL A 51 31.559 -3.724 -28.586 1.00 0.00 C ATOM 0 H VAL A 51 32.015 -3.386 -31.617 1.00 0.00 H new ATOM 0 HA VAL A 51 30.294 -5.390 -30.265 1.00 0.00 H new ATOM 0 HB VAL A 51 30.693 -2.372 -30.018 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.173 -2.524 -28.059 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.334 -2.993 -29.557 1.00 0.00 H new ATOM 0 HG13 VAL A 51 28.886 -4.244 -28.417 1.00 0.00 H new ATOM 0 HG21 VAL A 51 31.613 -2.973 -27.797 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.332 -4.696 -28.147 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.517 -3.775 -29.104 1.00 0.00 H new ATOM 737 N GLN A 52 29.244 -3.035 -32.338 1.00 0.00 N ATOM 738 CA GLN A 52 28.101 -2.619 -33.198 1.00 0.00 C ATOM 739 C GLN A 52 27.757 -3.702 -34.205 1.00 0.00 C ATOM 740 O GLN A 52 26.754 -3.631 -34.887 1.00 0.00 O ATOM 741 CB GLN A 52 28.493 -1.371 -33.955 1.00 0.00 C ATOM 742 CG GLN A 52 27.636 -0.194 -33.483 1.00 0.00 C ATOM 743 CD GLN A 52 28.428 1.107 -33.623 1.00 0.00 C ATOM 744 OE1 GLN A 52 28.016 2.009 -34.326 1.00 0.00 O ATOM 745 NE2 GLN A 52 29.554 1.246 -32.978 1.00 0.00 N ATOM 0 H GLN A 52 30.076 -2.451 -32.424 1.00 0.00 H new ATOM 0 HA GLN A 52 27.234 -2.438 -32.562 1.00 0.00 H new ATOM 0 HB2 GLN A 52 29.549 -1.153 -33.794 1.00 0.00 H new ATOM 0 HB3 GLN A 52 28.359 -1.526 -35.026 1.00 0.00 H new ATOM 0 HG2 GLN A 52 26.720 -0.139 -34.072 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.339 -0.341 -32.445 1.00 0.00 H new ATOM 0 HE21 GLN A 52 29.900 0.490 -32.388 1.00 0.00 H new ATOM 0 HE22 GLN A 52 30.088 2.111 -33.064 1.00 0.00 H new ATOM 754 N HIS A 53 28.574 -4.696 -34.319 1.00 0.00 N ATOM 755 CA HIS A 53 28.286 -5.761 -35.292 1.00 0.00 C ATOM 756 C HIS A 53 28.957 -7.020 -34.799 1.00 0.00 C ATOM 757 O HIS A 53 29.257 -7.919 -35.559 1.00 0.00 O ATOM 758 CB HIS A 53 28.865 -5.410 -36.647 1.00 0.00 C ATOM 759 CG HIS A 53 29.164 -3.935 -36.750 1.00 0.00 C ATOM 760 ND1 HIS A 53 29.901 -3.091 -35.957 1.00 0.00 N flip ATOM 761 CD2 HIS A 53 28.693 -3.156 -37.795 1.00 0.00 C flip ATOM 762 CE1 HIS A 53 29.894 -1.810 -36.501 1.00 0.00 C flip ATOM 763 NE2 HIS A 53 29.150 -1.904 -37.606 1.00 0.00 N flip ATOM 0 H HIS A 53 29.431 -4.816 -33.778 1.00 0.00 H new ATOM 0 HA HIS A 53 27.208 -5.889 -35.391 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.779 -5.981 -36.813 1.00 0.00 H new ATOM 0 HB3 HIS A 53 28.163 -5.696 -37.430 1.00 0.00 H new ATOM 0 HD1 HIS A 53 30.381 -3.362 -35.099 1.00 0.00 H new ATOM 0 HD2 HIS A 53 28.072 -3.492 -38.612 1.00 0.00 H new ATOM 0 HE1 HIS A 53 30.385 -0.930 -36.113 1.00 0.00 H new ATOM 771 N GLY A 54 29.226 -7.084 -33.530 1.00 0.00 N ATOM 772 CA GLY A 54 29.907 -8.274 -33.016 1.00 0.00 C ATOM 773 C GLY A 54 31.168 -8.446 -33.826 1.00 0.00 C ATOM 774 O GLY A 54 31.899 -7.508 -34.071 1.00 0.00 O ATOM 0 H GLY A 54 29.003 -6.367 -32.840 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.141 -8.157 -31.958 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.268 -9.153 -33.106 1.00 0.00 H new ATOM 778 N LYS A 55 31.390 -9.634 -34.247 1.00 0.00 N ATOM 779 CA LYS A 55 32.585 -9.956 -35.082 1.00 0.00 C ATOM 780 C LYS A 55 32.926 -11.431 -34.935 1.00 0.00 C ATOM 781 O LYS A 55 32.925 -11.975 -33.850 1.00 0.00 O ATOM 782 CB LYS A 55 33.780 -9.110 -34.642 1.00 0.00 C ATOM 783 CG LYS A 55 34.133 -8.041 -35.701 1.00 0.00 C ATOM 784 CD LYS A 55 32.907 -7.608 -36.521 1.00 0.00 C ATOM 785 CE LYS A 55 32.998 -8.215 -37.922 1.00 0.00 C ATOM 786 NZ LYS A 55 31.647 -8.668 -38.355 1.00 0.00 N ATOM 0 H LYS A 55 30.785 -10.431 -34.050 1.00 0.00 H new ATOM 0 HA LYS A 55 32.358 -9.734 -36.125 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.554 -8.624 -33.693 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.642 -9.755 -34.472 1.00 0.00 H new ATOM 0 HG2 LYS A 55 34.563 -7.170 -35.206 1.00 0.00 H new ATOM 0 HG3 LYS A 55 34.896 -8.435 -36.372 1.00 0.00 H new ATOM 0 HD2 LYS A 55 31.991 -7.936 -36.029 1.00 0.00 H new ATOM 0 HD3 LYS A 55 32.863 -6.521 -36.585 1.00 0.00 H new ATOM 0 HE2 LYS A 55 33.389 -7.479 -38.624 1.00 0.00 H new ATOM 0 HE3 LYS A 55 33.692 -9.055 -37.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 31.549 -8.535 -39.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 31.528 -9.675 -38.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 30.920 -8.111 -37.863 1.00 0.00 H new ATOM 800 N ASN A 56 33.214 -12.080 -36.027 1.00 0.00 N ATOM 801 CA ASN A 56 33.554 -13.524 -35.974 1.00 0.00 C ATOM 802 C ASN A 56 32.439 -14.281 -35.252 1.00 0.00 C ATOM 803 O ASN A 56 31.514 -14.778 -35.866 1.00 0.00 O ATOM 804 CB ASN A 56 34.873 -13.711 -35.225 1.00 0.00 C ATOM 805 CG ASN A 56 36.007 -13.066 -36.023 1.00 0.00 C ATOM 806 OD1 ASN A 56 36.016 -11.772 -36.190 1.00 0.00 O flip ATOM 807 ND2 ASN A 56 36.893 -13.746 -36.501 1.00 0.00 N flip ATOM 0 H ASN A 56 33.228 -11.667 -36.960 1.00 0.00 H new ATOM 0 HA ASN A 56 33.658 -13.912 -36.987 1.00 0.00 H new ATOM 0 HB2 ASN A 56 34.808 -13.260 -34.235 1.00 0.00 H new ATOM 0 HB3 ASN A 56 35.074 -14.772 -35.080 1.00 0.00 H new ATOM 0 HD21 ASN A 56 36.886 -14.758 -36.371 1.00 0.00 H new ATOM 0 HD22 ASN A 56 37.644 -13.305 -37.033 1.00 0.00 H new ATOM 814 N ALA A 57 32.515 -14.372 -33.952 1.00 0.00 N ATOM 815 CA ALA A 57 31.456 -15.095 -33.193 1.00 0.00 C ATOM 816 C ALA A 57 30.890 -14.182 -32.098 1.00 0.00 C ATOM 817 O ALA A 57 30.879 -14.531 -30.935 1.00 0.00 O ATOM 818 CB ALA A 57 32.060 -16.346 -32.552 1.00 0.00 C ATOM 0 H ALA A 57 33.264 -13.977 -33.383 1.00 0.00 H new ATOM 0 HA ALA A 57 30.653 -15.381 -33.873 1.00 0.00 H new ATOM 0 HB1 ALA A 57 31.289 -16.878 -31.995 1.00 0.00 H new ATOM 0 HB2 ALA A 57 32.460 -16.996 -33.330 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.862 -16.056 -31.873 1.00 0.00 H new ATOM 824 N MET A 58 30.412 -13.019 -32.458 1.00 0.00 N ATOM 825 CA MET A 58 29.843 -12.100 -31.430 1.00 0.00 C ATOM 826 C MET A 58 28.622 -11.371 -32.025 1.00 0.00 C ATOM 827 O MET A 58 28.604 -11.054 -33.197 1.00 0.00 O ATOM 828 CB MET A 58 30.921 -11.107 -30.982 1.00 0.00 C ATOM 829 CG MET A 58 30.294 -9.907 -30.265 1.00 0.00 C ATOM 830 SD MET A 58 31.542 -8.618 -30.033 1.00 0.00 S ATOM 831 CE MET A 58 30.511 -7.492 -29.065 1.00 0.00 C ATOM 0 H MET A 58 30.391 -12.668 -33.415 1.00 0.00 H new ATOM 0 HA MET A 58 29.516 -12.663 -30.556 1.00 0.00 H new ATOM 0 HB2 MET A 58 31.626 -11.605 -30.317 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.487 -10.763 -31.848 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.459 -9.518 -30.848 1.00 0.00 H new ATOM 0 HG3 MET A 58 29.892 -10.216 -29.300 1.00 0.00 H new ATOM 0 HE1 MET A 58 31.120 -6.666 -28.698 1.00 0.00 H new ATOM 0 HE2 MET A 58 29.710 -7.102 -29.693 1.00 0.00 H new ATOM 0 HE3 MET A 58 30.081 -8.029 -28.219 1.00 0.00 H new ATOM 841 N PRO A 59 27.620 -11.172 -31.199 1.00 0.00 N ATOM 842 CA PRO A 59 26.346 -10.523 -31.601 1.00 0.00 C ATOM 843 C PRO A 59 26.422 -8.995 -31.784 1.00 0.00 C ATOM 844 O PRO A 59 26.641 -8.254 -30.852 1.00 0.00 O ATOM 845 CB PRO A 59 25.401 -10.858 -30.444 1.00 0.00 C ATOM 846 CG PRO A 59 26.285 -11.200 -29.230 1.00 0.00 C ATOM 847 CD PRO A 59 27.659 -11.592 -29.781 1.00 0.00 C ATOM 0 HA PRO A 59 26.033 -10.885 -32.580 1.00 0.00 H new ATOM 0 HB2 PRO A 59 24.749 -10.014 -30.221 1.00 0.00 H new ATOM 0 HB3 PRO A 59 24.757 -11.699 -30.702 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.367 -10.345 -28.558 1.00 0.00 H new ATOM 0 HG3 PRO A 59 25.852 -12.018 -28.654 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.462 -11.091 -29.240 1.00 0.00 H new ATOM 0 HD3 PRO A 59 27.833 -12.664 -29.689 1.00 0.00 H new ATOM 855 N ALA A 60 26.180 -8.531 -32.990 1.00 0.00 N ATOM 856 CA ALA A 60 26.161 -7.067 -33.273 1.00 0.00 C ATOM 857 C ALA A 60 25.416 -6.313 -32.170 1.00 0.00 C ATOM 858 O ALA A 60 24.676 -6.888 -31.398 1.00 0.00 O ATOM 859 CB ALA A 60 25.405 -6.852 -34.584 1.00 0.00 C ATOM 0 H ALA A 60 25.992 -9.120 -33.801 1.00 0.00 H new ATOM 0 HA ALA A 60 27.185 -6.699 -33.329 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.375 -5.788 -34.817 1.00 0.00 H new ATOM 0 HB2 ALA A 60 25.912 -7.385 -35.388 1.00 0.00 H new ATOM 0 HB3 ALA A 60 24.388 -7.230 -34.483 1.00 0.00 H new ATOM 865 N PHE A 61 25.586 -5.017 -32.115 1.00 0.00 N ATOM 866 CA PHE A 61 24.879 -4.213 -31.107 1.00 0.00 C ATOM 867 C PHE A 61 24.477 -2.873 -31.717 1.00 0.00 C ATOM 868 O PHE A 61 24.082 -1.959 -31.023 1.00 0.00 O ATOM 869 CB PHE A 61 25.772 -3.990 -29.899 1.00 0.00 C ATOM 870 CG PHE A 61 25.758 -5.234 -29.061 1.00 0.00 C ATOM 871 CD1 PHE A 61 24.761 -5.411 -28.099 1.00 0.00 C ATOM 872 CD2 PHE A 61 26.739 -6.210 -29.246 1.00 0.00 C ATOM 873 CE1 PHE A 61 24.749 -6.565 -27.314 1.00 0.00 C ATOM 874 CE2 PHE A 61 26.724 -7.364 -28.467 1.00 0.00 C ATOM 875 CZ PHE A 61 25.732 -7.541 -27.503 1.00 0.00 C ATOM 0 H PHE A 61 26.195 -4.487 -32.739 1.00 0.00 H new ATOM 0 HA PHE A 61 23.984 -4.745 -30.785 1.00 0.00 H new ATOM 0 HB2 PHE A 61 26.789 -3.759 -30.217 1.00 0.00 H new ATOM 0 HB3 PHE A 61 25.418 -3.138 -29.318 1.00 0.00 H new ATOM 0 HD1 PHE A 61 24.001 -4.656 -27.963 1.00 0.00 H new ATOM 0 HD2 PHE A 61 27.508 -6.070 -29.992 1.00 0.00 H new ATOM 0 HE1 PHE A 61 23.984 -6.703 -26.564 1.00 0.00 H new ATOM 0 HE2 PHE A 61 27.480 -8.122 -28.609 1.00 0.00 H new ATOM 0 HZ PHE A 61 25.723 -8.437 -26.899 1.00 0.00 H new ATOM 885 N ALA A 62 24.570 -2.752 -33.013 1.00 0.00 N ATOM 886 CA ALA A 62 24.181 -1.478 -33.668 1.00 0.00 C ATOM 887 C ALA A 62 22.868 -0.987 -33.056 1.00 0.00 C ATOM 888 O ALA A 62 22.582 0.193 -33.046 1.00 0.00 O ATOM 889 CB ALA A 62 23.993 -1.710 -35.169 1.00 0.00 C ATOM 0 H ALA A 62 24.899 -3.483 -33.644 1.00 0.00 H new ATOM 0 HA ALA A 62 24.961 -0.731 -33.517 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.707 -0.774 -35.649 1.00 0.00 H new ATOM 0 HB2 ALA A 62 24.927 -2.069 -35.601 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.211 -2.452 -35.327 1.00 0.00 H new ATOM 895 N GLY A 63 22.067 -1.883 -32.536 1.00 0.00 N ATOM 896 CA GLY A 63 20.784 -1.455 -31.922 1.00 0.00 C ATOM 897 C GLY A 63 20.388 -2.437 -30.824 1.00 0.00 C ATOM 898 O GLY A 63 19.224 -2.707 -30.606 1.00 0.00 O ATOM 0 H GLY A 63 22.249 -2.886 -32.512 1.00 0.00 H new ATOM 0 HA2 GLY A 63 20.885 -0.452 -31.507 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.003 -1.409 -32.681 1.00 0.00 H new ATOM 902 N ARG A 64 21.349 -2.961 -30.119 1.00 0.00 N ATOM 903 CA ARG A 64 21.037 -3.907 -29.025 1.00 0.00 C ATOM 904 C ARG A 64 21.202 -3.114 -27.757 1.00 0.00 C ATOM 905 O ARG A 64 20.330 -3.039 -26.915 1.00 0.00 O ATOM 906 CB ARG A 64 22.041 -5.055 -29.033 1.00 0.00 C ATOM 907 CG ARG A 64 21.478 -6.227 -29.831 1.00 0.00 C ATOM 908 CD ARG A 64 20.321 -6.837 -29.049 1.00 0.00 C ATOM 909 NE ARG A 64 20.148 -8.263 -29.444 1.00 0.00 N ATOM 910 CZ ARG A 64 20.733 -9.205 -28.754 1.00 0.00 C ATOM 911 NH1 ARG A 64 21.789 -8.931 -28.039 1.00 0.00 N ATOM 912 NH2 ARG A 64 20.259 -10.421 -28.780 1.00 0.00 N ATOM 0 H ARG A 64 22.342 -2.771 -30.258 1.00 0.00 H new ATOM 0 HA ARG A 64 20.037 -4.330 -29.125 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.983 -4.724 -29.471 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.257 -5.369 -28.012 1.00 0.00 H new ATOM 0 HG2 ARG A 64 21.137 -5.889 -30.809 1.00 0.00 H new ATOM 0 HG3 ARG A 64 22.253 -6.974 -30.004 1.00 0.00 H new ATOM 0 HD2 ARG A 64 20.515 -6.767 -27.979 1.00 0.00 H new ATOM 0 HD3 ARG A 64 19.404 -6.281 -29.244 1.00 0.00 H new ATOM 0 HE ARG A 64 19.574 -8.503 -30.252 1.00 0.00 H new ATOM 0 HH11 ARG A 64 22.158 -7.980 -28.018 1.00 0.00 H new ATOM 0 HH12 ARG A 64 22.245 -9.667 -27.500 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.433 -10.634 -29.339 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.715 -11.158 -28.242 1.00 0.00 H new ATOM 926 N LEU A 65 22.330 -2.472 -27.656 1.00 0.00 N ATOM 927 CA LEU A 65 22.583 -1.616 -26.480 1.00 0.00 C ATOM 928 C LEU A 65 22.011 -0.236 -26.774 1.00 0.00 C ATOM 929 O LEU A 65 21.134 -0.061 -27.596 1.00 0.00 O ATOM 930 CB LEU A 65 24.088 -1.482 -26.225 1.00 0.00 C ATOM 931 CG LEU A 65 24.794 -2.798 -26.544 1.00 0.00 C ATOM 932 CD1 LEU A 65 26.287 -2.659 -26.246 1.00 0.00 C ATOM 933 CD2 LEU A 65 24.205 -3.916 -25.681 1.00 0.00 C ATOM 0 H LEU A 65 23.085 -2.507 -28.341 1.00 0.00 H new ATOM 0 HA LEU A 65 22.118 -2.059 -25.599 1.00 0.00 H new ATOM 0 HB2 LEU A 65 24.499 -0.682 -26.840 1.00 0.00 H new ATOM 0 HB3 LEU A 65 24.265 -1.208 -25.185 1.00 0.00 H new ATOM 0 HG LEU A 65 24.653 -3.040 -27.597 1.00 0.00 H new ATOM 0 HD11 LEU A 65 26.792 -3.598 -26.473 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.708 -1.863 -26.860 1.00 0.00 H new ATOM 0 HD13 LEU A 65 26.427 -2.418 -25.192 1.00 0.00 H new ATOM 0 HD21 LEU A 65 24.709 -4.855 -25.909 1.00 0.00 H new ATOM 0 HD22 LEU A 65 24.346 -3.675 -24.627 1.00 0.00 H new ATOM 0 HD23 LEU A 65 23.140 -4.015 -25.891 1.00 0.00 H new ATOM 945 N THR A 66 22.510 0.732 -26.093 1.00 0.00 N ATOM 946 CA THR A 66 22.035 2.130 -26.277 1.00 0.00 C ATOM 947 C THR A 66 23.038 2.883 -27.156 1.00 0.00 C ATOM 948 O THR A 66 24.023 2.328 -27.590 1.00 0.00 O ATOM 949 CB THR A 66 21.935 2.800 -24.903 1.00 0.00 C ATOM 950 OG1 THR A 66 21.332 1.899 -23.984 1.00 0.00 O ATOM 951 CG2 THR A 66 21.079 4.055 -25.019 1.00 0.00 C ATOM 0 H THR A 66 23.246 0.622 -25.396 1.00 0.00 H new ATOM 0 HA THR A 66 21.057 2.141 -26.758 1.00 0.00 H new ATOM 0 HB THR A 66 22.931 3.068 -24.550 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.268 2.324 -23.103 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.004 4.536 -24.044 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.537 4.744 -25.729 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.082 3.785 -25.367 1.00 0.00 H new ATOM 959 N ASP A 67 22.811 4.140 -27.423 1.00 0.00 N ATOM 960 CA ASP A 67 23.769 4.898 -28.263 1.00 0.00 C ATOM 961 C ASP A 67 24.996 5.243 -27.417 1.00 0.00 C ATOM 962 O ASP A 67 26.104 4.843 -27.714 1.00 0.00 O ATOM 963 CB ASP A 67 23.107 6.184 -28.765 1.00 0.00 C ATOM 964 CG ASP A 67 21.856 5.830 -29.574 1.00 0.00 C ATOM 965 OD1 ASP A 67 21.346 4.736 -29.391 1.00 0.00 O ATOM 966 OD2 ASP A 67 21.432 6.657 -30.363 1.00 0.00 O ATOM 0 H ASP A 67 22.004 4.670 -27.095 1.00 0.00 H new ATOM 0 HA ASP A 67 24.069 4.297 -29.122 1.00 0.00 H new ATOM 0 HB2 ASP A 67 22.840 6.822 -27.922 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.805 6.748 -29.383 1.00 0.00 H new ATOM 971 N GLU A 68 24.791 5.962 -26.347 1.00 0.00 N ATOM 972 CA GLU A 68 25.921 6.330 -25.444 1.00 0.00 C ATOM 973 C GLU A 68 26.481 5.069 -24.775 1.00 0.00 C ATOM 974 O GLU A 68 27.482 5.104 -24.099 1.00 0.00 O ATOM 975 CB GLU A 68 25.387 7.263 -24.362 1.00 0.00 C ATOM 976 CG GLU A 68 26.503 7.582 -23.368 1.00 0.00 C ATOM 977 CD GLU A 68 26.276 8.976 -22.782 1.00 0.00 C ATOM 978 OE1 GLU A 68 26.102 9.901 -23.559 1.00 0.00 O ATOM 979 OE2 GLU A 68 26.275 9.093 -21.568 1.00 0.00 O ATOM 0 H GLU A 68 23.879 6.314 -26.056 1.00 0.00 H new ATOM 0 HA GLU A 68 26.710 6.816 -26.019 1.00 0.00 H new ATOM 0 HB2 GLU A 68 25.013 8.182 -24.812 1.00 0.00 H new ATOM 0 HB3 GLU A 68 24.548 6.796 -23.846 1.00 0.00 H new ATOM 0 HG2 GLU A 68 26.519 6.838 -22.571 1.00 0.00 H new ATOM 0 HG3 GLU A 68 27.472 7.538 -23.865 1.00 0.00 H new ATOM 986 N GLN A 69 25.818 3.964 -24.963 1.00 0.00 N ATOM 987 CA GLN A 69 26.250 2.662 -24.366 1.00 0.00 C ATOM 988 C GLN A 69 27.067 1.932 -25.421 1.00 0.00 C ATOM 989 O GLN A 69 28.034 1.279 -25.127 1.00 0.00 O ATOM 990 CB GLN A 69 25.003 1.845 -24.036 1.00 0.00 C ATOM 991 CG GLN A 69 24.348 2.318 -22.728 1.00 0.00 C ATOM 992 CD GLN A 69 24.207 3.822 -22.758 1.00 0.00 C ATOM 993 OE1 GLN A 69 23.131 4.353 -22.954 1.00 0.00 O ATOM 994 NE2 GLN A 69 25.257 4.536 -22.549 1.00 0.00 N ATOM 0 H GLN A 69 24.967 3.904 -25.523 1.00 0.00 H new ATOM 0 HA GLN A 69 26.837 2.812 -23.460 1.00 0.00 H new ATOM 0 HB2 GLN A 69 24.286 1.927 -24.853 1.00 0.00 H new ATOM 0 HB3 GLN A 69 25.269 0.792 -23.950 1.00 0.00 H new ATOM 0 HG2 GLN A 69 23.370 1.852 -22.608 1.00 0.00 H new ATOM 0 HG3 GLN A 69 24.953 2.015 -21.874 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.157 4.084 -22.385 1.00 0.00 H new ATOM 0 HE22 GLN A 69 25.190 5.554 -22.547 1.00 0.00 H new ATOM 1003 N ILE A 70 26.707 2.081 -26.663 1.00 0.00 N ATOM 1004 CA ILE A 70 27.504 1.440 -27.738 1.00 0.00 C ATOM 1005 C ILE A 70 28.852 2.159 -27.763 1.00 0.00 C ATOM 1006 O ILE A 70 29.816 1.714 -28.354 1.00 0.00 O ATOM 1007 CB ILE A 70 26.782 1.619 -29.078 1.00 0.00 C ATOM 1008 CG1 ILE A 70 25.696 0.552 -29.211 1.00 0.00 C ATOM 1009 CG2 ILE A 70 27.777 1.475 -30.233 1.00 0.00 C ATOM 1010 CD1 ILE A 70 26.330 -0.829 -29.055 1.00 0.00 C ATOM 0 H ILE A 70 25.898 2.617 -26.978 1.00 0.00 H new ATOM 0 HA ILE A 70 27.636 0.372 -27.564 1.00 0.00 H new ATOM 0 HB ILE A 70 26.334 2.612 -29.114 1.00 0.00 H new ATOM 0 HG12 ILE A 70 24.928 0.701 -28.452 1.00 0.00 H new ATOM 0 HG13 ILE A 70 25.206 0.633 -30.181 1.00 0.00 H new ATOM 0 HG21 ILE A 70 27.255 1.604 -31.181 1.00 0.00 H new ATOM 0 HG22 ILE A 70 28.554 2.234 -30.141 1.00 0.00 H new ATOM 0 HG23 ILE A 70 28.231 0.485 -30.201 1.00 0.00 H new ATOM 0 HD11 ILE A 70 25.561 -1.595 -29.149 1.00 0.00 H new ATOM 0 HD12 ILE A 70 27.083 -0.974 -29.830 1.00 0.00 H new ATOM 0 HD13 ILE A 70 26.800 -0.905 -28.074 1.00 0.00 H new ATOM 1022 N GLN A 71 28.894 3.287 -27.110 1.00 0.00 N ATOM 1023 CA GLN A 71 30.104 4.112 -27.034 1.00 0.00 C ATOM 1024 C GLN A 71 30.808 3.842 -25.711 1.00 0.00 C ATOM 1025 O GLN A 71 31.852 3.225 -25.642 1.00 0.00 O ATOM 1026 CB GLN A 71 29.631 5.558 -27.040 1.00 0.00 C ATOM 1027 CG GLN A 71 29.671 6.104 -28.467 1.00 0.00 C ATOM 1028 CD GLN A 71 28.912 5.158 -29.397 1.00 0.00 C ATOM 1029 OE1 GLN A 71 29.428 4.130 -29.790 1.00 0.00 O ATOM 1030 NE2 GLN A 71 27.701 5.462 -29.770 1.00 0.00 N ATOM 0 H GLN A 71 28.096 3.676 -26.608 1.00 0.00 H new ATOM 0 HA GLN A 71 30.786 3.899 -27.857 1.00 0.00 H new ATOM 0 HB2 GLN A 71 28.618 5.621 -26.644 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.265 6.162 -26.391 1.00 0.00 H new ATOM 0 HG2 GLN A 71 29.225 7.098 -28.500 1.00 0.00 H new ATOM 0 HG3 GLN A 71 30.704 6.207 -28.800 1.00 0.00 H new ATOM 0 HE21 GLN A 71 27.267 6.324 -29.441 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.187 4.837 -30.391 1.00 0.00 H new ATOM 1039 N ASP A 72 30.211 4.317 -24.666 1.00 0.00 N ATOM 1040 CA ASP A 72 30.740 4.147 -23.310 1.00 0.00 C ATOM 1041 C ASP A 72 31.138 2.696 -23.088 1.00 0.00 C ATOM 1042 O ASP A 72 32.120 2.432 -22.450 1.00 0.00 O ATOM 1043 CB ASP A 72 29.624 4.526 -22.346 1.00 0.00 C ATOM 1044 CG ASP A 72 29.548 6.050 -22.225 1.00 0.00 C ATOM 1045 OD1 ASP A 72 30.563 6.693 -22.441 1.00 0.00 O ATOM 1046 OD2 ASP A 72 28.477 6.547 -21.919 1.00 0.00 O ATOM 0 H ASP A 72 29.336 4.840 -24.707 1.00 0.00 H new ATOM 0 HA ASP A 72 31.621 4.770 -23.155 1.00 0.00 H new ATOM 0 HB2 ASP A 72 28.672 4.131 -22.702 1.00 0.00 H new ATOM 0 HB3 ASP A 72 29.808 4.082 -21.368 1.00 0.00 H new ATOM 1051 N VAL A 73 30.370 1.764 -23.601 1.00 0.00 N ATOM 1052 CA VAL A 73 30.684 0.315 -23.417 1.00 0.00 C ATOM 1053 C VAL A 73 31.987 -0.037 -24.159 1.00 0.00 C ATOM 1054 O VAL A 73 32.786 -0.829 -23.704 1.00 0.00 O ATOM 1055 CB VAL A 73 29.534 -0.536 -23.976 1.00 0.00 C ATOM 1056 CG1 VAL A 73 29.644 -0.632 -25.502 1.00 0.00 C ATOM 1057 CG2 VAL A 73 29.608 -1.939 -23.381 1.00 0.00 C ATOM 0 H VAL A 73 29.528 1.951 -24.146 1.00 0.00 H new ATOM 0 HA VAL A 73 30.808 0.109 -22.354 1.00 0.00 H new ATOM 0 HB VAL A 73 28.585 -0.069 -23.712 1.00 0.00 H new ATOM 0 HG11 VAL A 73 28.824 -1.237 -25.889 1.00 0.00 H new ATOM 0 HG12 VAL A 73 29.592 0.367 -25.934 1.00 0.00 H new ATOM 0 HG13 VAL A 73 30.594 -1.094 -25.770 1.00 0.00 H new ATOM 0 HG21 VAL A 73 28.793 -2.545 -23.776 1.00 0.00 H new ATOM 0 HG22 VAL A 73 30.561 -2.396 -23.645 1.00 0.00 H new ATOM 0 HG23 VAL A 73 29.523 -1.879 -22.296 1.00 0.00 H new ATOM 1067 N ALA A 74 32.224 0.542 -25.300 1.00 0.00 N ATOM 1068 CA ALA A 74 33.492 0.230 -26.007 1.00 0.00 C ATOM 1069 C ALA A 74 34.612 0.829 -25.166 1.00 0.00 C ATOM 1070 O ALA A 74 35.466 0.136 -24.636 1.00 0.00 O ATOM 1071 CB ALA A 74 33.489 0.857 -27.400 1.00 0.00 C ATOM 0 H ALA A 74 31.607 1.206 -25.767 1.00 0.00 H new ATOM 0 HA ALA A 74 33.620 -0.845 -26.130 1.00 0.00 H new ATOM 0 HB1 ALA A 74 34.424 0.621 -27.907 1.00 0.00 H new ATOM 0 HB2 ALA A 74 32.653 0.460 -27.976 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.387 1.939 -27.312 1.00 0.00 H new ATOM 1077 N ALA A 75 34.571 2.116 -24.983 1.00 0.00 N ATOM 1078 CA ALA A 75 35.575 2.766 -24.117 1.00 0.00 C ATOM 1079 C ALA A 75 35.460 2.118 -22.740 1.00 0.00 C ATOM 1080 O ALA A 75 36.366 2.156 -21.932 1.00 0.00 O ATOM 1081 CB ALA A 75 35.247 4.256 -24.000 1.00 0.00 C ATOM 0 H ALA A 75 33.882 2.743 -25.399 1.00 0.00 H new ATOM 0 HA ALA A 75 36.580 2.653 -24.524 1.00 0.00 H new ATOM 0 HB1 ALA A 75 35.985 4.742 -23.362 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.267 4.712 -24.990 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.255 4.377 -23.565 1.00 0.00 H new ATOM 1087 N TYR A 76 34.329 1.510 -22.483 1.00 0.00 N ATOM 1088 CA TYR A 76 34.098 0.848 -21.174 1.00 0.00 C ATOM 1089 C TYR A 76 35.069 -0.305 -21.027 1.00 0.00 C ATOM 1090 O TYR A 76 35.627 -0.524 -19.978 1.00 0.00 O ATOM 1091 CB TYR A 76 32.667 0.301 -21.109 1.00 0.00 C ATOM 1092 CG TYR A 76 32.495 -0.474 -19.848 1.00 0.00 C ATOM 1093 CD1 TYR A 76 32.239 0.184 -18.673 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.584 -1.850 -19.871 1.00 0.00 C ATOM 1095 CE1 TYR A 76 32.073 -0.528 -17.498 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.418 -2.583 -18.693 1.00 0.00 C ATOM 1097 CZ TYR A 76 32.163 -1.918 -17.501 1.00 0.00 C ATOM 1098 OH TYR A 76 31.998 -2.629 -16.329 1.00 0.00 O ATOM 0 H TYR A 76 33.549 1.446 -23.137 1.00 0.00 H new ATOM 0 HA TYR A 76 34.245 1.573 -20.374 1.00 0.00 H new ATOM 0 HB2 TYR A 76 31.950 1.121 -21.147 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.469 -0.336 -21.971 1.00 0.00 H new ATOM 0 HD1 TYR A 76 32.167 1.262 -18.664 1.00 0.00 H new ATOM 0 HD2 TYR A 76 32.782 -2.362 -20.801 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.873 -0.004 -16.575 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.488 -3.661 -18.710 1.00 0.00 H new ATOM 0 HH TYR A 76 32.858 -3.011 -16.054 1.00 0.00 H new ATOM 1108 N VAL A 77 35.282 -1.046 -22.069 1.00 0.00 N ATOM 1109 CA VAL A 77 36.229 -2.173 -21.969 1.00 0.00 C ATOM 1110 C VAL A 77 37.636 -1.599 -21.854 1.00 0.00 C ATOM 1111 O VAL A 77 38.525 -2.202 -21.283 1.00 0.00 O ATOM 1112 CB VAL A 77 36.127 -3.056 -23.215 1.00 0.00 C ATOM 1113 CG1 VAL A 77 37.306 -4.029 -23.250 1.00 0.00 C ATOM 1114 CG2 VAL A 77 34.816 -3.845 -23.174 1.00 0.00 C ATOM 0 H VAL A 77 34.843 -0.919 -22.981 1.00 0.00 H new ATOM 0 HA VAL A 77 35.997 -2.783 -21.096 1.00 0.00 H new ATOM 0 HB VAL A 77 36.147 -2.429 -24.107 1.00 0.00 H new ATOM 0 HG11 VAL A 77 37.233 -4.658 -24.138 1.00 0.00 H new ATOM 0 HG12 VAL A 77 38.240 -3.468 -23.279 1.00 0.00 H new ATOM 0 HG13 VAL A 77 37.287 -4.656 -22.359 1.00 0.00 H new ATOM 0 HG21 VAL A 77 34.742 -4.474 -24.061 1.00 0.00 H new ATOM 0 HG22 VAL A 77 34.796 -4.471 -22.282 1.00 0.00 H new ATOM 0 HG23 VAL A 77 33.975 -3.152 -23.150 1.00 0.00 H new ATOM 1124 N LEU A 78 37.838 -0.424 -22.385 1.00 0.00 N ATOM 1125 CA LEU A 78 39.189 0.200 -22.301 1.00 0.00 C ATOM 1126 C LEU A 78 39.336 0.907 -20.952 1.00 0.00 C ATOM 1127 O LEU A 78 40.401 1.375 -20.599 1.00 0.00 O ATOM 1128 CB LEU A 78 39.361 1.219 -23.432 1.00 0.00 C ATOM 1129 CG LEU A 78 38.470 0.839 -24.619 1.00 0.00 C ATOM 1130 CD1 LEU A 78 38.875 1.662 -25.844 1.00 0.00 C ATOM 1131 CD2 LEU A 78 38.627 -0.651 -24.925 1.00 0.00 C ATOM 0 H LEU A 78 37.131 0.128 -22.870 1.00 0.00 H new ATOM 0 HA LEU A 78 39.951 -0.574 -22.396 1.00 0.00 H new ATOM 0 HB2 LEU A 78 39.102 2.216 -23.077 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.404 1.254 -23.746 1.00 0.00 H new ATOM 0 HG LEU A 78 37.429 1.046 -24.371 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.242 1.392 -26.689 1.00 0.00 H new ATOM 0 HD12 LEU A 78 38.756 2.723 -25.625 1.00 0.00 H new ATOM 0 HD13 LEU A 78 39.917 1.458 -26.092 1.00 0.00 H new ATOM 0 HD21 LEU A 78 37.992 -0.918 -25.770 1.00 0.00 H new ATOM 0 HD22 LEU A 78 39.667 -0.864 -25.171 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.334 -1.235 -24.052 1.00 0.00 H new ATOM 1143 N ASP A 79 38.273 0.999 -20.199 1.00 0.00 N ATOM 1144 CA ASP A 79 38.338 1.680 -18.892 1.00 0.00 C ATOM 1145 C ASP A 79 38.483 0.633 -17.792 1.00 0.00 C ATOM 1146 O ASP A 79 39.251 0.775 -16.860 1.00 0.00 O ATOM 1147 CB ASP A 79 37.033 2.440 -18.681 1.00 0.00 C ATOM 1148 CG ASP A 79 37.289 3.672 -17.811 1.00 0.00 C ATOM 1149 OD1 ASP A 79 38.015 4.546 -18.256 1.00 0.00 O ATOM 1150 OD2 ASP A 79 36.754 3.720 -16.716 1.00 0.00 O ATOM 0 H ASP A 79 37.356 0.624 -20.444 1.00 0.00 H new ATOM 0 HA ASP A 79 39.186 2.364 -18.864 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.617 2.742 -19.642 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.297 1.793 -18.204 1.00 0.00 H new ATOM 1155 N GLN A 80 37.725 -0.414 -17.909 1.00 0.00 N ATOM 1156 CA GLN A 80 37.747 -1.506 -16.915 1.00 0.00 C ATOM 1157 C GLN A 80 39.059 -2.276 -17.017 1.00 0.00 C ATOM 1158 O GLN A 80 39.600 -2.731 -16.028 1.00 0.00 O ATOM 1159 CB GLN A 80 36.589 -2.440 -17.230 1.00 0.00 C ATOM 1160 CG GLN A 80 35.303 -1.631 -17.378 1.00 0.00 C ATOM 1161 CD GLN A 80 34.569 -1.583 -16.037 1.00 0.00 C ATOM 1162 OE1 GLN A 80 34.334 -2.603 -15.422 1.00 0.00 O ATOM 1163 NE2 GLN A 80 34.193 -0.429 -15.557 1.00 0.00 N ATOM 0 H GLN A 80 37.071 -0.559 -18.678 1.00 0.00 H new ATOM 0 HA GLN A 80 37.657 -1.102 -15.907 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.792 -2.990 -18.149 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.477 -3.177 -16.435 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.534 -0.620 -17.714 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.664 -2.081 -18.138 1.00 0.00 H new ATOM 0 HE21 GLN A 80 34.391 0.427 -16.074 1.00 0.00 H new ATOM 0 HE22 GLN A 80 33.701 -0.384 -14.664 1.00 0.00 H new ATOM 1172 N ALA A 81 39.580 -2.432 -18.204 1.00 0.00 N ATOM 1173 CA ALA A 81 40.856 -3.172 -18.352 1.00 0.00 C ATOM 1174 C ALA A 81 41.926 -2.455 -17.534 1.00 0.00 C ATOM 1175 O ALA A 81 42.628 -3.051 -16.741 1.00 0.00 O ATOM 1176 CB ALA A 81 41.260 -3.195 -19.825 1.00 0.00 C ATOM 0 H ALA A 81 39.176 -2.079 -19.071 1.00 0.00 H new ATOM 0 HA ALA A 81 40.743 -4.197 -17.999 1.00 0.00 H new ATOM 0 HB1 ALA A 81 42.198 -3.739 -19.937 1.00 0.00 H new ATOM 0 HB2 ALA A 81 40.483 -3.689 -20.408 1.00 0.00 H new ATOM 0 HB3 ALA A 81 41.388 -2.174 -20.183 1.00 0.00 H new ATOM 1182 N ALA A 82 42.052 -1.175 -17.730 1.00 0.00 N ATOM 1183 CA ALA A 82 43.068 -0.397 -16.986 1.00 0.00 C ATOM 1184 C ALA A 82 42.475 0.106 -15.668 1.00 0.00 C ATOM 1185 O ALA A 82 42.998 1.014 -15.053 1.00 0.00 O ATOM 1186 CB ALA A 82 43.500 0.804 -17.832 1.00 0.00 C ATOM 0 H ALA A 82 41.486 -0.631 -18.382 1.00 0.00 H new ATOM 0 HA ALA A 82 43.927 -1.034 -16.776 1.00 0.00 H new ATOM 0 HB1 ALA A 82 44.249 1.381 -17.289 1.00 0.00 H new ATOM 0 HB2 ALA A 82 43.925 0.453 -18.772 1.00 0.00 H new ATOM 0 HB3 ALA A 82 42.635 1.434 -18.038 1.00 0.00 H new ATOM 1192 N LYS A 83 41.378 -0.456 -15.233 1.00 0.00 N ATOM 1193 CA LYS A 83 40.766 0.027 -13.961 1.00 0.00 C ATOM 1194 C LYS A 83 40.414 -1.137 -13.038 1.00 0.00 C ATOM 1195 O LYS A 83 39.708 -0.969 -12.063 1.00 0.00 O ATOM 1196 CB LYS A 83 39.500 0.829 -14.281 1.00 0.00 C ATOM 1197 CG LYS A 83 38.820 1.258 -12.977 1.00 0.00 C ATOM 1198 CD LYS A 83 38.011 2.534 -13.220 1.00 0.00 C ATOM 1199 CE LYS A 83 37.959 3.358 -11.933 1.00 0.00 C ATOM 1200 NZ LYS A 83 37.245 2.588 -10.875 1.00 0.00 N ATOM 0 H LYS A 83 40.885 -1.219 -15.697 1.00 0.00 H new ATOM 0 HA LYS A 83 41.491 0.659 -13.448 1.00 0.00 H new ATOM 0 HB2 LYS A 83 39.754 1.706 -14.876 1.00 0.00 H new ATOM 0 HB3 LYS A 83 38.816 0.226 -14.878 1.00 0.00 H new ATOM 0 HG2 LYS A 83 38.167 0.463 -12.616 1.00 0.00 H new ATOM 0 HG3 LYS A 83 39.568 1.431 -12.204 1.00 0.00 H new ATOM 0 HD2 LYS A 83 38.465 3.118 -14.020 1.00 0.00 H new ATOM 0 HD3 LYS A 83 37.001 2.281 -13.543 1.00 0.00 H new ATOM 0 HE2 LYS A 83 38.969 3.599 -11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 83 37.449 4.304 -12.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 37.031 3.216 -10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 36.359 2.206 -11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 37.847 1.805 -10.550 1.00 0.00 H new ATOM 1214 N GLY A 84 40.899 -2.310 -13.314 1.00 0.00 N ATOM 1215 CA GLY A 84 40.578 -3.451 -12.425 1.00 0.00 C ATOM 1216 C GLY A 84 39.209 -3.999 -12.800 1.00 0.00 C ATOM 1217 O GLY A 84 38.246 -3.820 -12.089 1.00 0.00 O ATOM 0 H GLY A 84 41.499 -2.527 -14.110 1.00 0.00 H new ATOM 0 HA2 GLY A 84 41.335 -4.229 -12.522 1.00 0.00 H new ATOM 0 HA3 GLY A 84 40.583 -3.130 -11.383 1.00 0.00 H new ATOM 1221 N TRP A 85 39.139 -4.666 -13.917 1.00 0.00 N ATOM 1222 CA TRP A 85 37.853 -5.271 -14.396 1.00 0.00 C ATOM 1223 C TRP A 85 37.060 -5.852 -13.217 1.00 0.00 C ATOM 1224 O TRP A 85 37.126 -7.033 -12.936 1.00 0.00 O ATOM 1225 CB TRP A 85 38.155 -6.412 -15.373 1.00 0.00 C ATOM 1226 CG TRP A 85 37.994 -5.948 -16.777 1.00 0.00 C ATOM 1227 CD1 TRP A 85 38.965 -5.937 -17.713 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.804 -5.436 -17.417 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.437 -5.443 -18.892 1.00 0.00 N ATOM 1230 CE2 TRP A 85 37.106 -5.124 -18.758 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.506 -5.215 -16.961 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 36.145 -4.607 -19.623 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.533 -4.689 -17.822 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.846 -4.386 -19.152 1.00 0.00 C ATOM 0 H TRP A 85 39.934 -4.824 -14.536 1.00 0.00 H new ATOM 0 HA TRP A 85 37.269 -4.490 -14.884 1.00 0.00 H new ATOM 0 HB2 TRP A 85 39.171 -6.774 -15.217 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.485 -7.250 -15.181 1.00 0.00 H new ATOM 0 HD1 TRP A 85 39.985 -6.260 -17.566 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.969 -5.329 -19.755 1.00 0.00 H new ATOM 0 HE3 TRP A 85 35.248 -5.450 -15.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.400 -4.379 -20.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.532 -4.516 -17.455 1.00 0.00 H new ATOM 0 HH2 TRP A 85 34.090 -3.984 -19.810 1.00 0.00 H new ATOM 1245 N ALA A 86 36.313 -5.036 -12.530 1.00 0.00 N ATOM 1246 CA ALA A 86 35.513 -5.530 -11.372 1.00 0.00 C ATOM 1247 C ALA A 86 36.359 -6.498 -10.546 1.00 0.00 C ATOM 1248 O ALA A 86 35.847 -7.375 -9.879 1.00 0.00 O ATOM 1249 CB ALA A 86 34.262 -6.248 -11.878 1.00 0.00 C ATOM 0 H ALA A 86 36.220 -4.038 -12.721 1.00 0.00 H new ATOM 0 HA ALA A 86 35.216 -4.685 -10.751 1.00 0.00 H new ATOM 0 HB1 ALA A 86 33.680 -6.607 -11.029 1.00 0.00 H new ATOM 0 HB2 ALA A 86 33.658 -5.556 -12.465 1.00 0.00 H new ATOM 0 HB3 ALA A 86 34.555 -7.093 -12.501 1.00 0.00 H new