USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 652 hydrogens (32 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 18 HIS HE2 : A 18 HIS NE2 : A 88 HECFE :(H bumps) USER MOD NoAdj-H: A 88 HEC HAC : A 88 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 88 HEC HAB : A 88 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 76 TYR OH : rot -18:sc= -1.67 USER MOD Set 1.2: A 80 GLN :FLIP amide:sc= -6.38! C(o=-8.8!,f=-8.1!) USER MOD Set 2.1: A 5 ASN : amide:sc= -0.681 K(o=-16,f=-20!) USER MOD Set 2.2: A 8 LYS NZ :NH3+ -160:sc= -2.7! (180deg=-2.84!) USER MOD Set 2.3: A 66 THR OG1 : rot -114:sc= -1.17 USER MOD Set 2.4: A 69 GLN : amide:sc= -11.3! C(o=-16!,f=-17!) USER MOD Set 3.1: A 26 MET CE :methyl -107:sc= -0.392 (180deg=-2.48!) USER MOD Set 3.2: A 29 LYS NZ :NH3+ -159:sc= -0.0174 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -108:sc= 0.123 (180deg=0) USER MOD Single : A 11 SER OG : rot -50:sc= 0.926 USER MOD Single : A 13 ASN :FLIP amide:sc= -8.32! C(o=-10!,f=-8.3!) USER MOD Single : A 19 MET CE :methyl -151:sc= -0.577 (180deg=-2.7!) USER MOD Single : A 23 ASN : amide:sc= -5.7! C(o=-5.7!,f=-6.8!) USER MOD Single : A 28 ASN :FLIP amide:sc= -3.12! C(o=-5.8!,f=-3.1!) USER MOD Single : A 30 THR OG1 : rot -160:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.32 F(o=-5!,f=-1.3) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot -69:sc= 0.00975 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 150:sc= -1.2 USER MOD Single : A 50 GLN :FLIP amide:sc= -8.96! C(o=-10!,f=-9!) USER MOD Single : A 52 GLN : amide:sc= -6.34! C(o=-6.3!,f=-5.9!) USER MOD Single : A 53 HIS :FLIP no HE2:sc= -8.87! C(o=-13!,f=-8.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 179:sc= -8.74! (180deg=-8.96!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.22 F(o=-0.76,f=-0.22) USER MOD Single : A 83 LYS NZ :NH3+ -101:sc= -0.188 (180deg=-0.989) USER MOD Single : A 88 HEC O2A : rot 50:sc= -5.36! USER MOD Single : A 88 HEC O2D : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 30.618 10.792 -14.034 1.00 0.00 N ATOM 2 CA ALA A 1 31.420 10.051 -15.048 1.00 0.00 C ATOM 3 C ALA A 1 30.523 9.680 -16.230 1.00 0.00 C ATOM 4 O ALA A 1 29.317 9.811 -16.171 1.00 0.00 O ATOM 5 CB ALA A 1 31.993 8.779 -14.419 1.00 0.00 C ATOM 0 H1 ALA A 1 30.893 11.795 -14.039 1.00 0.00 H new ATOM 0 H2 ALA A 1 29.607 10.709 -14.263 1.00 0.00 H new ATOM 0 H3 ALA A 1 30.793 10.390 -13.091 1.00 0.00 H new ATOM 0 HA ALA A 1 32.239 10.680 -15.396 1.00 0.00 H new ATOM 0 HB1 ALA A 1 32.579 8.238 -15.162 1.00 0.00 H new ATOM 0 HB2 ALA A 1 32.631 9.045 -13.577 1.00 0.00 H new ATOM 0 HB3 ALA A 1 31.177 8.146 -14.070 1.00 0.00 H new ATOM 13 N ASP A 2 31.101 9.216 -17.303 1.00 0.00 N ATOM 14 CA ASP A 2 30.277 8.837 -18.484 1.00 0.00 C ATOM 15 C ASP A 2 30.327 7.324 -18.676 1.00 0.00 C ATOM 16 O ASP A 2 29.401 6.725 -19.182 1.00 0.00 O ATOM 17 CB ASP A 2 30.821 9.520 -19.738 1.00 0.00 C ATOM 18 CG ASP A 2 30.917 11.029 -19.498 1.00 0.00 C ATOM 19 OD1 ASP A 2 31.316 11.412 -18.410 1.00 0.00 O ATOM 20 OD2 ASP A 2 30.590 11.777 -20.405 1.00 0.00 O ATOM 0 H ASP A 2 32.106 9.083 -17.413 1.00 0.00 H new ATOM 0 HA ASP A 2 29.248 9.154 -18.316 1.00 0.00 H new ATOM 0 HB2 ASP A 2 31.803 9.118 -19.987 1.00 0.00 H new ATOM 0 HB3 ASP A 2 30.169 9.317 -20.587 1.00 0.00 H new ATOM 25 N LEU A 3 31.399 6.696 -18.277 1.00 0.00 N ATOM 26 CA LEU A 3 31.490 5.221 -18.444 1.00 0.00 C ATOM 27 C LEU A 3 30.496 4.562 -17.491 1.00 0.00 C ATOM 28 O LEU A 3 30.246 3.375 -17.563 1.00 0.00 O ATOM 29 CB LEU A 3 32.910 4.728 -18.122 1.00 0.00 C ATOM 30 CG LEU A 3 33.902 5.150 -19.220 1.00 0.00 C ATOM 31 CD1 LEU A 3 33.813 4.171 -20.389 1.00 0.00 C ATOM 32 CD2 LEU A 3 33.592 6.563 -19.720 1.00 0.00 C ATOM 0 H LEU A 3 32.210 7.139 -17.845 1.00 0.00 H new ATOM 0 HA LEU A 3 31.259 4.960 -19.477 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.231 5.133 -17.162 1.00 0.00 H new ATOM 0 HB3 LEU A 3 32.909 3.642 -18.026 1.00 0.00 H new ATOM 0 HG LEU A 3 34.908 5.141 -18.800 1.00 0.00 H new ATOM 0 HD11 LEU A 3 34.515 4.469 -21.167 1.00 0.00 H new ATOM 0 HD12 LEU A 3 34.060 3.167 -20.043 1.00 0.00 H new ATOM 0 HD13 LEU A 3 32.800 4.177 -20.792 1.00 0.00 H new ATOM 0 HD21 LEU A 3 34.306 6.839 -20.496 1.00 0.00 H new ATOM 0 HD22 LEU A 3 32.582 6.591 -20.130 1.00 0.00 H new ATOM 0 HD23 LEU A 3 33.666 7.267 -18.891 1.00 0.00 H new ATOM 44 N ALA A 4 29.900 5.327 -16.615 1.00 0.00 N ATOM 45 CA ALA A 4 28.900 4.741 -15.696 1.00 0.00 C ATOM 46 C ALA A 4 27.815 4.126 -16.569 1.00 0.00 C ATOM 47 O ALA A 4 27.092 3.233 -16.175 1.00 0.00 O ATOM 48 CB ALA A 4 28.306 5.839 -14.810 1.00 0.00 C ATOM 0 H ALA A 4 30.066 6.327 -16.502 1.00 0.00 H new ATOM 0 HA ALA A 4 29.349 3.991 -15.045 1.00 0.00 H new ATOM 0 HB1 ALA A 4 27.570 5.403 -14.135 1.00 0.00 H new ATOM 0 HB2 ALA A 4 29.100 6.306 -14.228 1.00 0.00 H new ATOM 0 HB3 ALA A 4 27.824 6.590 -15.436 1.00 0.00 H new ATOM 54 N ASN A 5 27.730 4.611 -17.775 1.00 0.00 N ATOM 55 CA ASN A 5 26.742 4.103 -18.748 1.00 0.00 C ATOM 56 C ASN A 5 27.266 2.787 -19.333 1.00 0.00 C ATOM 57 O ASN A 5 26.523 1.860 -19.577 1.00 0.00 O ATOM 58 CB ASN A 5 26.605 5.151 -19.847 1.00 0.00 C ATOM 59 CG ASN A 5 25.138 5.551 -19.999 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.277 5.011 -19.332 1.00 0.00 O ATOM 61 ND2 ASN A 5 24.814 6.482 -20.852 1.00 0.00 N ATOM 0 H ASN A 5 28.324 5.360 -18.130 1.00 0.00 H new ATOM 0 HA ASN A 5 25.774 3.922 -18.282 1.00 0.00 H new ATOM 0 HB2 ASN A 5 27.207 6.027 -19.605 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.983 4.755 -20.789 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.838 6.758 -20.960 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.537 6.935 -21.412 1.00 0.00 H new ATOM 68 N GLY A 6 28.552 2.702 -19.544 1.00 0.00 N ATOM 69 CA GLY A 6 29.142 1.451 -20.091 1.00 0.00 C ATOM 70 C GLY A 6 28.893 0.318 -19.098 1.00 0.00 C ATOM 71 O GLY A 6 28.366 -0.711 -19.441 1.00 0.00 O ATOM 0 H GLY A 6 29.220 3.450 -19.359 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.695 1.213 -21.056 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.211 1.579 -20.258 1.00 0.00 H new ATOM 75 N ALA A 7 29.266 0.502 -17.864 1.00 0.00 N ATOM 76 CA ALA A 7 29.045 -0.570 -16.859 1.00 0.00 C ATOM 77 C ALA A 7 27.615 -1.072 -16.964 1.00 0.00 C ATOM 78 O ALA A 7 27.326 -2.196 -16.632 1.00 0.00 O ATOM 79 CB ALA A 7 29.323 -0.036 -15.457 1.00 0.00 C ATOM 0 H ALA A 7 29.714 1.347 -17.509 1.00 0.00 H new ATOM 0 HA ALA A 7 29.727 -1.398 -17.053 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.159 -0.828 -14.727 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.356 0.305 -15.396 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.653 0.797 -15.246 1.00 0.00 H new ATOM 85 N LYS A 8 26.722 -0.268 -17.456 1.00 0.00 N ATOM 86 CA LYS A 8 25.330 -0.747 -17.620 1.00 0.00 C ATOM 87 C LYS A 8 25.341 -1.698 -18.815 1.00 0.00 C ATOM 88 O LYS A 8 24.833 -2.801 -18.765 1.00 0.00 O ATOM 89 CB LYS A 8 24.391 0.441 -17.873 1.00 0.00 C ATOM 90 CG LYS A 8 23.154 -0.007 -18.676 1.00 0.00 C ATOM 91 CD LYS A 8 23.246 0.521 -20.114 1.00 0.00 C ATOM 92 CE LYS A 8 23.603 2.004 -20.084 1.00 0.00 C ATOM 93 NZ LYS A 8 22.620 2.772 -20.900 1.00 0.00 N ATOM 0 H LYS A 8 26.894 0.693 -17.750 1.00 0.00 H new ATOM 0 HA LYS A 8 24.971 -1.255 -16.725 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.078 0.873 -16.922 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.922 1.222 -18.418 1.00 0.00 H new ATOM 0 HG2 LYS A 8 23.088 -1.095 -18.682 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.246 0.365 -18.200 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.000 -0.035 -20.670 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.297 0.374 -20.629 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.601 2.368 -19.057 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.610 2.154 -20.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.030 3.691 -21.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.391 2.237 -21.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.753 2.925 -20.346 1.00 0.00 H new ATOM 107 N VAL A 9 25.960 -1.273 -19.880 1.00 0.00 N ATOM 108 CA VAL A 9 26.073 -2.126 -21.092 1.00 0.00 C ATOM 109 C VAL A 9 26.711 -3.453 -20.704 1.00 0.00 C ATOM 110 O VAL A 9 26.118 -4.507 -20.796 1.00 0.00 O ATOM 111 CB VAL A 9 26.996 -1.431 -22.094 1.00 0.00 C ATOM 112 CG1 VAL A 9 26.924 -2.147 -23.443 1.00 0.00 C ATOM 113 CG2 VAL A 9 26.562 0.017 -22.258 1.00 0.00 C ATOM 0 H VAL A 9 26.399 -0.356 -19.962 1.00 0.00 H new ATOM 0 HA VAL A 9 25.086 -2.290 -21.525 1.00 0.00 H new ATOM 0 HB VAL A 9 28.022 -1.463 -21.727 1.00 0.00 H new ATOM 0 HG11 VAL A 9 27.583 -1.649 -24.155 1.00 0.00 H new ATOM 0 HG12 VAL A 9 27.238 -3.184 -23.322 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.900 -2.119 -23.816 1.00 0.00 H new ATOM 0 HG21 VAL A 9 27.218 0.515 -22.972 1.00 0.00 H new ATOM 0 HG22 VAL A 9 25.536 0.050 -22.624 1.00 0.00 H new ATOM 0 HG23 VAL A 9 26.620 0.526 -21.296 1.00 0.00 H new ATOM 123 N PHE A 10 27.937 -3.392 -20.287 1.00 0.00 N ATOM 124 CA PHE A 10 28.674 -4.613 -19.901 1.00 0.00 C ATOM 125 C PHE A 10 27.983 -5.331 -18.736 1.00 0.00 C ATOM 126 O PHE A 10 28.071 -6.533 -18.601 1.00 0.00 O ATOM 127 CB PHE A 10 30.096 -4.213 -19.516 1.00 0.00 C ATOM 128 CG PHE A 10 30.876 -5.463 -19.290 1.00 0.00 C ATOM 129 CD1 PHE A 10 30.585 -6.226 -18.175 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.856 -5.880 -20.198 1.00 0.00 C ATOM 131 CE1 PHE A 10 31.262 -7.406 -17.946 1.00 0.00 C ATOM 132 CE2 PHE A 10 32.543 -7.077 -19.971 1.00 0.00 C ATOM 133 CZ PHE A 10 32.244 -7.844 -18.841 1.00 0.00 C ATOM 0 H PHE A 10 28.470 -2.527 -20.196 1.00 0.00 H new ATOM 0 HA PHE A 10 28.694 -5.307 -20.741 1.00 0.00 H new ATOM 0 HB2 PHE A 10 30.552 -3.616 -20.306 1.00 0.00 H new ATOM 0 HB3 PHE A 10 30.089 -3.599 -18.616 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.825 -5.898 -17.481 1.00 0.00 H new ATOM 0 HD2 PHE A 10 32.080 -5.281 -21.068 1.00 0.00 H new ATOM 0 HE1 PHE A 10 31.033 -7.995 -17.070 1.00 0.00 H new ATOM 0 HE2 PHE A 10 33.301 -7.407 -20.666 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.769 -8.770 -18.660 1.00 0.00 H new ATOM 143 N SER A 11 27.297 -4.623 -17.897 1.00 0.00 N ATOM 144 CA SER A 11 26.606 -5.296 -16.756 1.00 0.00 C ATOM 145 C SER A 11 25.194 -5.703 -17.182 1.00 0.00 C ATOM 146 O SER A 11 24.337 -5.962 -16.362 1.00 0.00 O ATOM 147 CB SER A 11 26.517 -4.347 -15.559 1.00 0.00 C ATOM 148 OG SER A 11 25.939 -5.029 -14.456 1.00 0.00 O ATOM 0 H SER A 11 27.180 -3.611 -17.944 1.00 0.00 H new ATOM 0 HA SER A 11 27.176 -6.180 -16.470 1.00 0.00 H new ATOM 0 HB2 SER A 11 27.510 -3.983 -15.295 1.00 0.00 H new ATOM 0 HB3 SER A 11 25.916 -3.475 -15.817 1.00 0.00 H new ATOM 0 HG SER A 11 25.114 -5.474 -14.742 1.00 0.00 H new ATOM 154 N GLY A 12 24.944 -5.758 -18.461 1.00 0.00 N ATOM 155 CA GLY A 12 23.591 -6.143 -18.934 1.00 0.00 C ATOM 156 C GLY A 12 23.639 -6.727 -20.357 1.00 0.00 C ATOM 157 O GLY A 12 22.615 -7.040 -20.930 1.00 0.00 O ATOM 0 H GLY A 12 25.620 -5.552 -19.197 1.00 0.00 H new ATOM 0 HA2 GLY A 12 23.161 -6.877 -18.252 1.00 0.00 H new ATOM 0 HA3 GLY A 12 22.937 -5.271 -18.919 1.00 0.00 H new ATOM 161 N ASN A 13 24.801 -6.883 -20.937 1.00 0.00 N ATOM 162 CA ASN A 13 24.864 -7.447 -22.316 1.00 0.00 C ATOM 163 C ASN A 13 26.234 -8.092 -22.544 1.00 0.00 C ATOM 164 O ASN A 13 26.339 -9.191 -23.052 1.00 0.00 O ATOM 165 CB ASN A 13 24.661 -6.325 -23.337 1.00 0.00 C ATOM 166 CG ASN A 13 23.733 -5.255 -22.753 1.00 0.00 C ATOM 167 OD1 ASN A 13 24.231 -4.100 -22.407 1.00 0.00 O flip ATOM 168 ND2 ASN A 13 22.545 -5.468 -22.621 1.00 0.00 N flip ATOM 0 H ASN A 13 25.701 -6.646 -20.519 1.00 0.00 H new ATOM 0 HA ASN A 13 24.082 -8.197 -22.434 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.622 -5.882 -23.600 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.234 -6.729 -24.255 1.00 0.00 H new ATOM 0 HD21 ASN A 13 22.156 -6.371 -22.892 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.936 -4.744 -22.240 1.00 0.00 H new ATOM 175 N CYS A 14 27.283 -7.411 -22.178 1.00 0.00 N ATOM 176 CA CYS A 14 28.652 -7.967 -22.375 1.00 0.00 C ATOM 177 C CYS A 14 28.966 -8.974 -21.263 1.00 0.00 C ATOM 178 O CYS A 14 29.715 -9.913 -21.448 1.00 0.00 O ATOM 179 CB CYS A 14 29.669 -6.823 -22.315 1.00 0.00 C ATOM 180 SG CYS A 14 28.975 -5.337 -23.097 1.00 0.00 S ATOM 0 H CYS A 14 27.251 -6.487 -21.748 1.00 0.00 H new ATOM 0 HA CYS A 14 28.706 -8.466 -23.342 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.930 -6.611 -21.278 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.589 -7.115 -22.822 1.00 0.00 H new ATOM 185 N ALA A 15 28.406 -8.767 -20.107 1.00 0.00 N ATOM 186 CA ALA A 15 28.665 -9.678 -18.955 1.00 0.00 C ATOM 187 C ALA A 15 28.380 -11.138 -19.335 1.00 0.00 C ATOM 188 O ALA A 15 29.100 -12.037 -18.951 1.00 0.00 O ATOM 189 CB ALA A 15 27.759 -9.278 -17.790 1.00 0.00 C ATOM 0 H ALA A 15 27.770 -7.995 -19.906 1.00 0.00 H new ATOM 0 HA ALA A 15 29.714 -9.592 -18.671 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.942 -9.939 -16.943 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.972 -8.249 -17.500 1.00 0.00 H new ATOM 0 HB3 ALA A 15 26.716 -9.360 -18.096 1.00 0.00 H new ATOM 195 N ALA A 16 27.323 -11.380 -20.059 1.00 0.00 N ATOM 196 CA ALA A 16 26.972 -12.783 -20.435 1.00 0.00 C ATOM 197 C ALA A 16 28.072 -13.417 -21.296 1.00 0.00 C ATOM 198 O ALA A 16 28.335 -14.600 -21.200 1.00 0.00 O ATOM 199 CB ALA A 16 25.658 -12.780 -21.216 1.00 0.00 C ATOM 0 H ALA A 16 26.684 -10.666 -20.409 1.00 0.00 H new ATOM 0 HA ALA A 16 26.869 -13.370 -19.522 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.397 -13.801 -21.493 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.867 -12.359 -20.596 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.772 -12.178 -22.117 1.00 0.00 H new ATOM 205 N CYS A 17 28.707 -12.657 -22.144 1.00 0.00 N ATOM 206 CA CYS A 17 29.774 -13.243 -23.010 1.00 0.00 C ATOM 207 C CYS A 17 31.134 -12.710 -22.592 1.00 0.00 C ATOM 208 O CYS A 17 32.085 -12.741 -23.347 1.00 0.00 O ATOM 209 CB CYS A 17 29.520 -12.851 -24.455 1.00 0.00 C ATOM 210 SG CYS A 17 28.470 -14.119 -25.226 1.00 0.00 S ATOM 0 H CYS A 17 28.536 -11.660 -22.276 1.00 0.00 H new ATOM 0 HA CYS A 17 29.759 -14.328 -22.905 1.00 0.00 H new ATOM 0 HB2 CYS A 17 29.033 -11.877 -24.502 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.463 -12.762 -24.994 1.00 0.00 H new ATOM 215 N HIS A 18 31.239 -12.213 -21.402 1.00 0.00 N ATOM 216 CA HIS A 18 32.538 -11.670 -20.948 1.00 0.00 C ATOM 217 C HIS A 18 32.591 -11.719 -19.419 1.00 0.00 C ATOM 218 O HIS A 18 33.515 -12.248 -18.841 1.00 0.00 O ATOM 219 CB HIS A 18 32.669 -10.233 -21.453 1.00 0.00 C ATOM 220 CG HIS A 18 32.901 -10.234 -22.929 1.00 0.00 C ATOM 221 ND1 HIS A 18 34.170 -10.354 -23.449 1.00 0.00 N ATOM 222 CD2 HIS A 18 32.058 -10.122 -24.006 1.00 0.00 C ATOM 223 CE1 HIS A 18 34.067 -10.319 -24.781 1.00 0.00 C ATOM 224 NE2 HIS A 18 32.801 -10.181 -25.180 1.00 0.00 N ATOM 0 H HIS A 18 30.481 -12.159 -20.722 1.00 0.00 H new ATOM 0 HA HIS A 18 33.365 -12.260 -21.343 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.765 -9.672 -21.218 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.495 -9.734 -20.946 1.00 0.00 H new ATOM 0 HD1 HIS A 18 35.033 -10.452 -22.914 1.00 0.00 H new ATOM 0 HD2 HIS A 18 30.986 -10.006 -23.951 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.908 -10.394 -25.454 1.00 0.00 H new ATOM 232 N MET A 19 31.582 -11.194 -18.776 1.00 0.00 N ATOM 233 CA MET A 19 31.506 -11.207 -17.277 1.00 0.00 C ATOM 234 C MET A 19 32.861 -10.871 -16.641 1.00 0.00 C ATOM 235 O MET A 19 33.799 -11.640 -16.692 1.00 0.00 O ATOM 236 CB MET A 19 31.041 -12.586 -16.794 1.00 0.00 C ATOM 237 CG MET A 19 31.922 -13.683 -17.399 1.00 0.00 C ATOM 238 SD MET A 19 31.417 -15.292 -16.737 1.00 0.00 S ATOM 239 CE MET A 19 31.544 -14.874 -14.980 1.00 0.00 C ATOM 0 H MET A 19 30.788 -10.746 -19.233 1.00 0.00 H new ATOM 0 HA MET A 19 30.790 -10.444 -16.971 1.00 0.00 H new ATOM 0 HB2 MET A 19 31.086 -12.632 -15.706 1.00 0.00 H new ATOM 0 HB3 MET A 19 30.001 -12.747 -17.078 1.00 0.00 H new ATOM 0 HG2 MET A 19 31.832 -13.680 -18.485 1.00 0.00 H new ATOM 0 HG3 MET A 19 32.970 -13.494 -17.165 1.00 0.00 H new ATOM 0 HE1 MET A 19 31.784 -15.771 -14.409 1.00 0.00 H new ATOM 0 HE2 MET A 19 32.330 -14.132 -14.838 1.00 0.00 H new ATOM 0 HE3 MET A 19 30.594 -14.467 -14.633 1.00 0.00 H new ATOM 249 N GLY A 20 32.964 -9.729 -16.017 1.00 0.00 N ATOM 250 CA GLY A 20 34.250 -9.353 -15.367 1.00 0.00 C ATOM 251 C GLY A 20 35.387 -9.549 -16.370 1.00 0.00 C ATOM 252 O GLY A 20 36.325 -10.283 -16.129 1.00 0.00 O ATOM 0 H GLY A 20 32.215 -9.042 -15.930 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.215 -8.316 -15.034 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.418 -9.966 -14.482 1.00 0.00 H new ATOM 256 N GLY A 21 35.302 -8.896 -17.496 1.00 0.00 N ATOM 257 CA GLY A 21 36.361 -9.037 -18.526 1.00 0.00 C ATOM 258 C GLY A 21 36.767 -10.509 -18.642 1.00 0.00 C ATOM 259 O GLY A 21 37.829 -10.906 -18.204 1.00 0.00 O ATOM 0 H GLY A 21 34.538 -8.268 -17.745 1.00 0.00 H new ATOM 0 HA2 GLY A 21 35.999 -8.672 -19.487 1.00 0.00 H new ATOM 0 HA3 GLY A 21 37.226 -8.430 -18.259 1.00 0.00 H new ATOM 263 N GLY A 22 35.927 -11.325 -19.221 1.00 0.00 N ATOM 264 CA GLY A 22 36.264 -12.771 -19.358 1.00 0.00 C ATOM 265 C GLY A 22 35.524 -13.360 -20.560 1.00 0.00 C ATOM 266 O GLY A 22 34.400 -13.806 -20.450 1.00 0.00 O ATOM 0 H GLY A 22 35.022 -11.052 -19.605 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.340 -12.893 -19.485 1.00 0.00 H new ATOM 0 HA3 GLY A 22 35.987 -13.307 -18.450 1.00 0.00 H new ATOM 270 N ASN A 23 36.147 -13.363 -21.705 1.00 0.00 N ATOM 271 CA ASN A 23 35.484 -13.918 -22.917 1.00 0.00 C ATOM 272 C ASN A 23 34.785 -15.235 -22.569 1.00 0.00 C ATOM 273 O ASN A 23 35.135 -15.901 -21.616 1.00 0.00 O ATOM 274 CB ASN A 23 36.537 -14.176 -23.993 1.00 0.00 C ATOM 275 CG ASN A 23 35.944 -13.863 -25.368 1.00 0.00 C ATOM 276 OD1 ASN A 23 35.709 -14.753 -26.159 1.00 0.00 O ATOM 277 ND2 ASN A 23 35.688 -12.624 -25.686 1.00 0.00 N ATOM 0 H ASN A 23 37.090 -13.004 -21.854 1.00 0.00 H new ATOM 0 HA ASN A 23 34.746 -13.204 -23.283 1.00 0.00 H new ATOM 0 HB2 ASN A 23 37.416 -13.556 -23.814 1.00 0.00 H new ATOM 0 HB3 ASN A 23 36.866 -15.214 -23.954 1.00 0.00 H new ATOM 0 HD21 ASN A 23 35.290 -12.404 -26.599 1.00 0.00 H new ATOM 0 HD22 ASN A 23 35.885 -11.876 -25.022 1.00 0.00 H new ATOM 284 N VAL A 24 33.799 -15.615 -23.338 1.00 0.00 N ATOM 285 CA VAL A 24 33.082 -16.886 -23.054 1.00 0.00 C ATOM 286 C VAL A 24 33.298 -17.867 -24.208 1.00 0.00 C ATOM 287 O VAL A 24 33.402 -19.060 -24.008 1.00 0.00 O ATOM 288 CB VAL A 24 31.589 -16.600 -22.907 1.00 0.00 C ATOM 289 CG1 VAL A 24 31.104 -15.805 -24.120 1.00 0.00 C ATOM 290 CG2 VAL A 24 30.826 -17.919 -22.829 1.00 0.00 C ATOM 0 H VAL A 24 33.461 -15.098 -24.150 1.00 0.00 H new ATOM 0 HA VAL A 24 33.467 -17.322 -22.132 1.00 0.00 H new ATOM 0 HB VAL A 24 31.415 -16.024 -21.998 1.00 0.00 H new ATOM 0 HG11 VAL A 24 30.038 -15.599 -24.018 1.00 0.00 H new ATOM 0 HG12 VAL A 24 31.651 -14.864 -24.181 1.00 0.00 H new ATOM 0 HG13 VAL A 24 31.276 -16.384 -25.027 1.00 0.00 H new ATOM 0 HG21 VAL A 24 29.760 -17.717 -22.724 1.00 0.00 H new ATOM 0 HG22 VAL A 24 30.999 -18.494 -23.739 1.00 0.00 H new ATOM 0 HG23 VAL A 24 31.174 -18.490 -21.968 1.00 0.00 H new ATOM 300 N VAL A 25 33.362 -17.374 -25.413 1.00 0.00 N ATOM 301 CA VAL A 25 33.568 -18.284 -26.573 1.00 0.00 C ATOM 302 C VAL A 25 35.065 -18.420 -26.861 1.00 0.00 C ATOM 303 O VAL A 25 35.649 -19.468 -26.670 1.00 0.00 O ATOM 304 CB VAL A 25 32.858 -17.714 -27.801 1.00 0.00 C ATOM 305 CG1 VAL A 25 32.836 -18.772 -28.902 1.00 0.00 C ATOM 306 CG2 VAL A 25 31.423 -17.330 -27.431 1.00 0.00 C ATOM 0 H VAL A 25 33.281 -16.384 -25.644 1.00 0.00 H new ATOM 0 HA VAL A 25 33.156 -19.266 -26.340 1.00 0.00 H new ATOM 0 HB VAL A 25 33.387 -16.829 -28.153 1.00 0.00 H new ATOM 0 HG11 VAL A 25 32.331 -18.372 -29.781 1.00 0.00 H new ATOM 0 HG12 VAL A 25 33.858 -19.046 -29.164 1.00 0.00 H new ATOM 0 HG13 VAL A 25 32.303 -19.655 -28.548 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.918 -16.924 -28.307 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.889 -18.213 -27.081 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.439 -16.579 -26.641 1.00 0.00 H new ATOM 316 N MET A 26 35.690 -17.372 -27.322 1.00 0.00 N ATOM 317 CA MET A 26 37.149 -17.449 -27.620 1.00 0.00 C ATOM 318 C MET A 26 37.914 -17.790 -26.338 1.00 0.00 C ATOM 319 O MET A 26 37.410 -17.632 -25.244 1.00 0.00 O ATOM 320 CB MET A 26 37.634 -16.102 -28.163 1.00 0.00 C ATOM 321 CG MET A 26 37.552 -16.111 -29.690 1.00 0.00 C ATOM 322 SD MET A 26 39.090 -16.777 -30.374 1.00 0.00 S ATOM 323 CE MET A 26 39.247 -15.615 -31.751 1.00 0.00 C ATOM 0 H MET A 26 35.255 -16.468 -27.505 1.00 0.00 H new ATOM 0 HA MET A 26 37.326 -18.224 -28.366 1.00 0.00 H new ATOM 0 HB2 MET A 26 37.024 -15.294 -27.760 1.00 0.00 H new ATOM 0 HB3 MET A 26 38.660 -15.917 -27.844 1.00 0.00 H new ATOM 0 HG2 MET A 26 36.705 -16.715 -30.016 1.00 0.00 H new ATOM 0 HG3 MET A 26 37.384 -15.100 -30.062 1.00 0.00 H new ATOM 0 HE1 MET A 26 39.015 -16.125 -32.686 1.00 0.00 H new ATOM 0 HE2 MET A 26 38.554 -14.786 -31.608 1.00 0.00 H new ATOM 0 HE3 MET A 26 40.267 -15.233 -31.790 1.00 0.00 H new ATOM 333 N ALA A 27 39.126 -18.257 -26.464 1.00 0.00 N ATOM 334 CA ALA A 27 39.918 -18.607 -25.253 1.00 0.00 C ATOM 335 C ALA A 27 41.154 -17.710 -25.182 1.00 0.00 C ATOM 336 O ALA A 27 42.275 -18.171 -25.260 1.00 0.00 O ATOM 337 CB ALA A 27 40.351 -20.072 -25.330 1.00 0.00 C ATOM 0 H ALA A 27 39.601 -18.411 -27.353 1.00 0.00 H new ATOM 0 HA ALA A 27 39.308 -18.459 -24.362 1.00 0.00 H new ATOM 0 HB1 ALA A 27 40.931 -20.327 -24.443 1.00 0.00 H new ATOM 0 HB2 ALA A 27 39.469 -20.710 -25.383 1.00 0.00 H new ATOM 0 HB3 ALA A 27 40.963 -20.224 -26.219 1.00 0.00 H new ATOM 343 N ASN A 28 40.955 -16.429 -25.033 1.00 0.00 N ATOM 344 CA ASN A 28 42.112 -15.496 -24.958 1.00 0.00 C ATOM 345 C ASN A 28 41.622 -14.067 -25.194 1.00 0.00 C ATOM 346 O ASN A 28 42.069 -13.136 -24.556 1.00 0.00 O ATOM 347 CB ASN A 28 43.141 -15.867 -26.026 1.00 0.00 C ATOM 348 CG ASN A 28 42.416 -16.350 -27.284 1.00 0.00 C ATOM 349 OD1 ASN A 28 41.843 -15.477 -28.066 1.00 0.00 O flip ATOM 350 ND2 ASN A 28 42.371 -17.533 -27.557 1.00 0.00 N flip ATOM 0 H ASN A 28 40.038 -15.988 -24.960 1.00 0.00 H new ATOM 0 HA ASN A 28 42.575 -15.567 -23.974 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.765 -15.005 -26.261 1.00 0.00 H new ATOM 0 HB3 ASN A 28 43.804 -16.648 -25.653 1.00 0.00 H new ATOM 0 HD21 ASN A 28 42.819 -18.215 -26.945 1.00 0.00 H new ATOM 0 HD22 ASN A 28 41.885 -17.844 -28.398 1.00 0.00 H new ATOM 357 N LYS A 29 40.705 -13.887 -26.106 1.00 0.00 N ATOM 358 CA LYS A 29 40.185 -12.518 -26.381 1.00 0.00 C ATOM 359 C LYS A 29 39.307 -12.063 -25.212 1.00 0.00 C ATOM 360 O LYS A 29 38.098 -12.176 -25.251 1.00 0.00 O ATOM 361 CB LYS A 29 39.354 -12.538 -27.667 1.00 0.00 C ATOM 362 CG LYS A 29 40.110 -11.802 -28.774 1.00 0.00 C ATOM 363 CD LYS A 29 40.392 -12.767 -29.928 1.00 0.00 C ATOM 364 CE LYS A 29 41.250 -12.064 -30.982 1.00 0.00 C ATOM 365 NZ LYS A 29 41.841 -13.079 -31.899 1.00 0.00 N ATOM 0 H LYS A 29 40.294 -14.629 -26.672 1.00 0.00 H new ATOM 0 HA LYS A 29 41.020 -11.827 -26.499 1.00 0.00 H new ATOM 0 HB2 LYS A 29 39.156 -13.567 -27.969 1.00 0.00 H new ATOM 0 HB3 LYS A 29 38.387 -12.065 -27.495 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.523 -10.955 -29.129 1.00 0.00 H new ATOM 0 HG3 LYS A 29 41.046 -11.400 -28.385 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.906 -13.654 -29.557 1.00 0.00 H new ATOM 0 HD3 LYS A 29 39.455 -13.104 -30.372 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.643 -11.357 -31.548 1.00 0.00 H new ATOM 0 HE3 LYS A 29 42.041 -11.490 -30.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 42.675 -12.676 -32.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 42.124 -13.917 -31.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 41.137 -13.353 -32.613 1.00 0.00 H new ATOM 379 N THR A 30 39.906 -11.549 -24.173 1.00 0.00 N ATOM 380 CA THR A 30 39.111 -11.086 -23.000 1.00 0.00 C ATOM 381 C THR A 30 38.943 -9.566 -23.086 1.00 0.00 C ATOM 382 O THR A 30 39.241 -8.965 -24.096 1.00 0.00 O ATOM 383 CB THR A 30 39.871 -11.452 -21.723 1.00 0.00 C ATOM 384 OG1 THR A 30 40.492 -12.718 -21.894 1.00 0.00 O ATOM 385 CG2 THR A 30 38.908 -11.515 -20.537 1.00 0.00 C ATOM 0 H THR A 30 40.915 -11.429 -24.086 1.00 0.00 H new ATOM 0 HA THR A 30 38.129 -11.558 -22.991 1.00 0.00 H new ATOM 0 HB THR A 30 40.627 -10.692 -21.527 1.00 0.00 H new ATOM 0 HG1 THR A 30 40.702 -13.100 -21.017 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.460 -11.776 -19.634 1.00 0.00 H new ATOM 0 HG22 THR A 30 38.432 -10.544 -20.403 1.00 0.00 H new ATOM 0 HG23 THR A 30 38.145 -12.270 -20.727 1.00 0.00 H new ATOM 393 N LEU A 31 38.483 -8.928 -22.041 1.00 0.00 N ATOM 394 CA LEU A 31 38.332 -7.446 -22.096 1.00 0.00 C ATOM 395 C LEU A 31 39.369 -6.792 -21.194 1.00 0.00 C ATOM 396 O LEU A 31 39.476 -5.583 -21.137 1.00 0.00 O ATOM 397 CB LEU A 31 36.946 -7.016 -21.642 1.00 0.00 C ATOM 398 CG LEU A 31 35.838 -7.867 -22.305 1.00 0.00 C ATOM 399 CD1 LEU A 31 34.680 -6.950 -22.693 1.00 0.00 C ATOM 400 CD2 LEU A 31 36.335 -8.564 -23.581 1.00 0.00 C ATOM 0 H LEU A 31 38.208 -9.365 -21.161 1.00 0.00 H new ATOM 0 HA LEU A 31 38.476 -7.132 -23.130 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.874 -7.105 -20.558 1.00 0.00 H new ATOM 0 HB3 LEU A 31 36.793 -5.965 -21.886 1.00 0.00 H new ATOM 0 HG LEU A 31 35.530 -8.629 -21.589 1.00 0.00 H new ATOM 0 HD11 LEU A 31 33.891 -7.538 -23.162 1.00 0.00 H new ATOM 0 HD12 LEU A 31 34.287 -6.463 -21.801 1.00 0.00 H new ATOM 0 HD13 LEU A 31 35.034 -6.194 -23.394 1.00 0.00 H new ATOM 0 HD21 LEU A 31 35.525 -9.151 -24.014 1.00 0.00 H new ATOM 0 HD22 LEU A 31 36.665 -7.814 -24.300 1.00 0.00 H new ATOM 0 HD23 LEU A 31 37.168 -9.222 -23.335 1.00 0.00 H new ATOM 412 N LYS A 32 40.152 -7.571 -20.501 1.00 0.00 N ATOM 413 CA LYS A 32 41.184 -6.963 -19.623 1.00 0.00 C ATOM 414 C LYS A 32 42.141 -6.118 -20.485 1.00 0.00 C ATOM 415 O LYS A 32 41.976 -4.921 -20.601 1.00 0.00 O ATOM 416 CB LYS A 32 41.966 -8.050 -18.872 1.00 0.00 C ATOM 417 CG LYS A 32 42.170 -9.276 -19.767 1.00 0.00 C ATOM 418 CD LYS A 32 41.443 -10.478 -19.162 1.00 0.00 C ATOM 419 CE LYS A 32 42.242 -11.010 -17.973 1.00 0.00 C ATOM 420 NZ LYS A 32 42.772 -12.364 -18.300 1.00 0.00 N ATOM 0 H LYS A 32 40.122 -8.591 -20.505 1.00 0.00 H new ATOM 0 HA LYS A 32 40.697 -6.327 -18.884 1.00 0.00 H new ATOM 0 HB2 LYS A 32 42.933 -7.658 -18.555 1.00 0.00 H new ATOM 0 HB3 LYS A 32 41.427 -8.337 -17.969 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.791 -9.075 -20.769 1.00 0.00 H new ATOM 0 HG3 LYS A 32 43.233 -9.493 -19.867 1.00 0.00 H new ATOM 0 HD2 LYS A 32 40.443 -10.188 -18.841 1.00 0.00 H new ATOM 0 HD3 LYS A 32 41.323 -11.260 -19.912 1.00 0.00 H new ATOM 0 HE2 LYS A 32 43.063 -10.332 -17.740 1.00 0.00 H new ATOM 0 HE3 LYS A 32 41.608 -11.059 -17.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 43.316 -12.728 -17.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.980 -13.007 -18.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 43.390 -12.303 -19.134 1.00 0.00 H new ATOM 434 N LYS A 33 43.126 -6.723 -21.112 1.00 0.00 N ATOM 435 CA LYS A 33 44.055 -5.926 -21.976 1.00 0.00 C ATOM 436 C LYS A 33 45.277 -6.760 -22.382 1.00 0.00 C ATOM 437 O LYS A 33 45.752 -6.675 -23.497 1.00 0.00 O ATOM 438 CB LYS A 33 44.539 -4.694 -21.213 1.00 0.00 C ATOM 439 CG LYS A 33 44.950 -5.090 -19.795 1.00 0.00 C ATOM 440 CD LYS A 33 45.500 -3.861 -19.069 1.00 0.00 C ATOM 441 CE LYS A 33 46.993 -3.714 -19.370 1.00 0.00 C ATOM 442 NZ LYS A 33 47.781 -4.484 -18.366 1.00 0.00 N ATOM 0 H LYS A 33 43.324 -7.722 -21.063 1.00 0.00 H new ATOM 0 HA LYS A 33 43.510 -5.629 -22.872 1.00 0.00 H new ATOM 0 HB2 LYS A 33 45.383 -4.242 -21.733 1.00 0.00 H new ATOM 0 HB3 LYS A 33 43.749 -3.944 -21.176 1.00 0.00 H new ATOM 0 HG2 LYS A 33 44.094 -5.493 -19.255 1.00 0.00 H new ATOM 0 HG3 LYS A 33 45.705 -5.876 -19.828 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.964 -2.967 -19.389 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.343 -3.960 -17.995 1.00 0.00 H new ATOM 0 HE2 LYS A 33 47.210 -4.078 -20.374 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.278 -2.662 -19.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 48.796 -4.384 -18.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 47.582 -4.117 -17.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 47.516 -5.488 -18.413 1.00 0.00 H new ATOM 456 N GLU A 34 45.800 -7.544 -21.485 1.00 0.00 N ATOM 457 CA GLU A 34 47.002 -8.361 -21.808 1.00 0.00 C ATOM 458 C GLU A 34 46.812 -9.056 -23.156 1.00 0.00 C ATOM 459 O GLU A 34 47.751 -9.253 -23.903 1.00 0.00 O ATOM 460 CB GLU A 34 47.212 -9.415 -20.718 1.00 0.00 C ATOM 461 CG GLU A 34 48.524 -9.136 -19.982 1.00 0.00 C ATOM 462 CD GLU A 34 49.383 -10.402 -19.973 1.00 0.00 C ATOM 463 OE1 GLU A 34 49.001 -11.350 -19.306 1.00 0.00 O ATOM 464 OE2 GLU A 34 50.410 -10.402 -20.634 1.00 0.00 O ATOM 0 H GLU A 34 45.445 -7.656 -20.535 1.00 0.00 H new ATOM 0 HA GLU A 34 47.874 -7.709 -21.860 1.00 0.00 H new ATOM 0 HB2 GLU A 34 46.378 -9.398 -20.016 1.00 0.00 H new ATOM 0 HB3 GLU A 34 47.236 -10.411 -21.160 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.061 -8.323 -20.470 1.00 0.00 H new ATOM 0 HG3 GLU A 34 48.319 -8.815 -18.961 1.00 0.00 H new ATOM 471 N ALA A 35 45.610 -9.442 -23.461 1.00 0.00 N ATOM 472 CA ALA A 35 45.354 -10.141 -24.746 1.00 0.00 C ATOM 473 C ALA A 35 44.622 -9.217 -25.717 1.00 0.00 C ATOM 474 O ALA A 35 45.133 -8.841 -26.751 1.00 0.00 O ATOM 475 CB ALA A 35 44.486 -11.376 -24.482 1.00 0.00 C ATOM 0 H ALA A 35 44.788 -9.303 -22.873 1.00 0.00 H new ATOM 0 HA ALA A 35 46.307 -10.436 -25.185 1.00 0.00 H new ATOM 0 HB1 ALA A 35 44.294 -11.894 -25.422 1.00 0.00 H new ATOM 0 HB2 ALA A 35 45.006 -12.047 -23.798 1.00 0.00 H new ATOM 0 HB3 ALA A 35 43.539 -11.067 -24.038 1.00 0.00 H new ATOM 481 N LEU A 36 43.416 -8.880 -25.387 1.00 0.00 N ATOM 482 CA LEU A 36 42.587 -8.004 -26.261 1.00 0.00 C ATOM 483 C LEU A 36 43.382 -6.808 -26.786 1.00 0.00 C ATOM 484 O LEU A 36 43.299 -6.474 -27.945 1.00 0.00 O ATOM 485 CB LEU A 36 41.414 -7.469 -25.449 1.00 0.00 C ATOM 486 CG LEU A 36 41.897 -7.170 -24.029 1.00 0.00 C ATOM 487 CD1 LEU A 36 41.260 -5.878 -23.525 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.515 -8.328 -23.113 1.00 0.00 C ATOM 0 H LEU A 36 42.954 -9.180 -24.528 1.00 0.00 H new ATOM 0 HA LEU A 36 42.252 -8.600 -27.110 1.00 0.00 H new ATOM 0 HB2 LEU A 36 41.015 -6.566 -25.911 1.00 0.00 H new ATOM 0 HB3 LEU A 36 40.605 -8.199 -25.427 1.00 0.00 H new ATOM 0 HG LEU A 36 42.980 -7.051 -24.032 1.00 0.00 H new ATOM 0 HD11 LEU A 36 41.608 -5.671 -22.513 1.00 0.00 H new ATOM 0 HD12 LEU A 36 41.541 -5.054 -24.181 1.00 0.00 H new ATOM 0 HD13 LEU A 36 40.175 -5.985 -23.520 1.00 0.00 H new ATOM 0 HD21 LEU A 36 41.858 -8.119 -22.100 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.432 -8.449 -23.112 1.00 0.00 H new ATOM 0 HD23 LEU A 36 41.982 -9.245 -23.472 1.00 0.00 H new ATOM 500 N GLU A 37 44.114 -6.128 -25.952 1.00 0.00 N ATOM 501 CA GLU A 37 44.843 -4.940 -26.443 1.00 0.00 C ATOM 502 C GLU A 37 45.836 -5.340 -27.538 1.00 0.00 C ATOM 503 O GLU A 37 46.093 -4.595 -28.462 1.00 0.00 O ATOM 504 CB GLU A 37 45.605 -4.277 -25.297 1.00 0.00 C ATOM 505 CG GLU A 37 46.504 -3.177 -25.873 1.00 0.00 C ATOM 506 CD GLU A 37 46.857 -2.175 -24.772 1.00 0.00 C ATOM 507 OE1 GLU A 37 46.520 -2.438 -23.629 1.00 0.00 O ATOM 508 OE2 GLU A 37 47.458 -1.163 -25.090 1.00 0.00 O ATOM 0 H GLU A 37 44.236 -6.344 -24.963 1.00 0.00 H new ATOM 0 HA GLU A 37 44.116 -4.238 -26.852 1.00 0.00 H new ATOM 0 HB2 GLU A 37 44.907 -3.854 -24.574 1.00 0.00 H new ATOM 0 HB3 GLU A 37 46.205 -5.016 -24.766 1.00 0.00 H new ATOM 0 HG2 GLU A 37 47.413 -3.615 -26.285 1.00 0.00 H new ATOM 0 HG3 GLU A 37 45.995 -2.669 -26.692 1.00 0.00 H new ATOM 515 N GLN A 38 46.415 -6.502 -27.423 1.00 0.00 N ATOM 516 CA GLN A 38 47.412 -6.954 -28.422 1.00 0.00 C ATOM 517 C GLN A 38 46.730 -7.353 -29.734 1.00 0.00 C ATOM 518 O GLN A 38 46.765 -6.636 -30.715 1.00 0.00 O ATOM 519 CB GLN A 38 48.157 -8.163 -27.849 1.00 0.00 C ATOM 520 CG GLN A 38 48.664 -7.826 -26.452 1.00 0.00 C ATOM 521 CD GLN A 38 49.645 -6.660 -26.551 1.00 0.00 C ATOM 522 OE1 GLN A 38 49.187 -5.467 -26.817 1.00 0.00 O flip ATOM 523 NE2 GLN A 38 50.838 -6.833 -26.386 1.00 0.00 N flip ATOM 0 H GLN A 38 46.235 -7.164 -26.668 1.00 0.00 H new ATOM 0 HA GLN A 38 48.104 -6.138 -28.632 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.494 -9.028 -27.809 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.992 -8.431 -28.497 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.830 -7.563 -25.801 1.00 0.00 H new ATOM 0 HG3 GLN A 38 49.153 -8.694 -26.009 1.00 0.00 H new ATOM 0 HE21 GLN A 38 51.194 -7.766 -26.178 1.00 0.00 H new ATOM 0 HE22 GLN A 38 51.482 -6.045 -26.455 1.00 0.00 H new ATOM 532 N PHE A 39 46.148 -8.516 -29.762 1.00 0.00 N ATOM 533 CA PHE A 39 45.496 -9.020 -30.995 1.00 0.00 C ATOM 534 C PHE A 39 44.012 -8.680 -31.031 1.00 0.00 C ATOM 535 O PHE A 39 43.278 -9.128 -31.889 1.00 0.00 O ATOM 536 CB PHE A 39 45.682 -10.525 -31.028 1.00 0.00 C ATOM 537 CG PHE A 39 44.909 -11.209 -29.914 1.00 0.00 C ATOM 538 CD1 PHE A 39 44.336 -10.472 -28.863 1.00 0.00 C ATOM 539 CD2 PHE A 39 44.795 -12.605 -29.923 1.00 0.00 C ATOM 540 CE1 PHE A 39 43.658 -11.131 -27.835 1.00 0.00 C ATOM 541 CE2 PHE A 39 44.111 -13.262 -28.895 1.00 0.00 C ATOM 542 CZ PHE A 39 43.543 -12.526 -27.850 1.00 0.00 C ATOM 0 H PHE A 39 46.097 -9.150 -28.965 1.00 0.00 H new ATOM 0 HA PHE A 39 45.952 -8.546 -31.864 1.00 0.00 H new ATOM 0 HB2 PHE A 39 45.351 -10.912 -31.992 1.00 0.00 H new ATOM 0 HB3 PHE A 39 46.742 -10.763 -30.936 1.00 0.00 H new ATOM 0 HD1 PHE A 39 44.420 -9.395 -28.850 1.00 0.00 H new ATOM 0 HD2 PHE A 39 45.237 -13.176 -30.726 1.00 0.00 H new ATOM 0 HE1 PHE A 39 43.221 -10.563 -27.027 1.00 0.00 H new ATOM 0 HE2 PHE A 39 44.021 -14.338 -28.908 1.00 0.00 H new ATOM 0 HZ PHE A 39 43.016 -13.033 -27.055 1.00 0.00 H new ATOM 552 N GLY A 40 43.570 -7.901 -30.106 1.00 0.00 N ATOM 553 CA GLY A 40 42.126 -7.529 -30.074 1.00 0.00 C ATOM 554 C GLY A 40 41.975 -6.006 -30.072 1.00 0.00 C ATOM 555 O GLY A 40 40.877 -5.486 -30.104 1.00 0.00 O ATOM 0 H GLY A 40 44.140 -7.498 -29.362 1.00 0.00 H new ATOM 0 HA2 GLY A 40 41.614 -7.952 -30.939 1.00 0.00 H new ATOM 0 HA3 GLY A 40 41.654 -7.950 -29.187 1.00 0.00 H new ATOM 559 N MET A 41 43.065 -5.286 -30.024 1.00 0.00 N ATOM 560 CA MET A 41 42.977 -3.799 -30.007 1.00 0.00 C ATOM 561 C MET A 41 41.861 -3.367 -29.071 1.00 0.00 C ATOM 562 O MET A 41 41.048 -2.548 -29.385 1.00 0.00 O ATOM 563 CB MET A 41 42.747 -3.279 -31.421 1.00 0.00 C ATOM 564 CG MET A 41 44.097 -3.214 -32.135 1.00 0.00 C ATOM 565 SD MET A 41 44.111 -1.807 -33.274 1.00 0.00 S ATOM 566 CE MET A 41 44.914 -2.647 -34.660 1.00 0.00 C ATOM 0 H MET A 41 44.012 -5.665 -29.996 1.00 0.00 H new ATOM 0 HA MET A 41 43.913 -3.377 -29.641 1.00 0.00 H new ATOM 0 HB2 MET A 41 42.064 -3.935 -31.960 1.00 0.00 H new ATOM 0 HB3 MET A 41 42.285 -2.292 -31.392 1.00 0.00 H new ATOM 0 HG2 MET A 41 44.901 -3.113 -31.406 1.00 0.00 H new ATOM 0 HG3 MET A 41 44.276 -4.140 -32.682 1.00 0.00 H new ATOM 0 HE1 MET A 41 45.026 -1.951 -35.491 1.00 0.00 H new ATOM 0 HE2 MET A 41 45.896 -3.003 -34.350 1.00 0.00 H new ATOM 0 HE3 MET A 41 44.304 -3.494 -34.975 1.00 0.00 H new ATOM 576 N TYR A 42 41.839 -3.908 -27.899 1.00 0.00 N ATOM 577 CA TYR A 42 40.790 -3.533 -26.917 1.00 0.00 C ATOM 578 C TYR A 42 40.483 -2.023 -26.972 1.00 0.00 C ATOM 579 O TYR A 42 39.421 -1.589 -26.574 1.00 0.00 O ATOM 580 CB TYR A 42 41.274 -3.942 -25.533 1.00 0.00 C ATOM 581 CG TYR A 42 42.172 -2.886 -24.936 1.00 0.00 C ATOM 582 CD1 TYR A 42 43.184 -2.297 -25.702 1.00 0.00 C ATOM 583 CD2 TYR A 42 41.991 -2.506 -23.603 1.00 0.00 C ATOM 584 CE1 TYR A 42 44.016 -1.325 -25.132 1.00 0.00 C ATOM 585 CE2 TYR A 42 42.820 -1.537 -23.033 1.00 0.00 C ATOM 586 CZ TYR A 42 43.834 -0.945 -23.795 1.00 0.00 C ATOM 587 OH TYR A 42 44.654 0.011 -23.232 1.00 0.00 O ATOM 0 H TYR A 42 42.509 -4.603 -27.570 1.00 0.00 H new ATOM 0 HA TYR A 42 39.860 -4.049 -27.156 1.00 0.00 H new ATOM 0 HB2 TYR A 42 40.418 -4.107 -24.879 1.00 0.00 H new ATOM 0 HB3 TYR A 42 41.813 -4.887 -25.598 1.00 0.00 H new ATOM 0 HD1 TYR A 42 43.323 -2.592 -26.732 1.00 0.00 H new ATOM 0 HD2 TYR A 42 41.210 -2.962 -23.013 1.00 0.00 H new ATOM 0 HE1 TYR A 42 44.797 -0.869 -25.722 1.00 0.00 H new ATOM 0 HE2 TYR A 42 42.678 -1.244 -22.003 1.00 0.00 H new ATOM 0 HH TYR A 42 45.561 -0.349 -23.140 1.00 0.00 H new ATOM 597 N SER A 43 41.389 -1.221 -27.474 1.00 0.00 N ATOM 598 CA SER A 43 41.129 0.240 -27.567 1.00 0.00 C ATOM 599 C SER A 43 39.699 0.501 -28.052 1.00 0.00 C ATOM 600 O SER A 43 39.016 -0.387 -28.523 1.00 0.00 O ATOM 601 CB SER A 43 42.115 0.870 -28.538 1.00 0.00 C ATOM 602 OG SER A 43 42.805 1.929 -27.892 1.00 0.00 O ATOM 0 H SER A 43 42.299 -1.521 -27.823 1.00 0.00 H new ATOM 0 HA SER A 43 41.251 0.681 -26.578 1.00 0.00 H new ATOM 0 HB2 SER A 43 42.824 0.121 -28.890 1.00 0.00 H new ATOM 0 HB3 SER A 43 41.588 1.247 -29.415 1.00 0.00 H new ATOM 0 HG SER A 43 43.442 2.334 -28.517 1.00 0.00 H new ATOM 608 N GLU A 44 39.245 1.718 -27.929 1.00 0.00 N ATOM 609 CA GLU A 44 37.865 2.063 -28.363 1.00 0.00 C ATOM 610 C GLU A 44 37.628 1.616 -29.802 1.00 0.00 C ATOM 611 O GLU A 44 36.911 0.686 -30.050 1.00 0.00 O ATOM 612 CB GLU A 44 37.670 3.578 -28.272 1.00 0.00 C ATOM 613 CG GLU A 44 36.653 3.896 -27.174 1.00 0.00 C ATOM 614 CD GLU A 44 37.051 5.197 -26.475 1.00 0.00 C ATOM 615 OE1 GLU A 44 36.624 6.245 -26.929 1.00 0.00 O ATOM 616 OE2 GLU A 44 37.774 5.122 -25.496 1.00 0.00 O ATOM 0 H GLU A 44 39.779 2.496 -27.542 1.00 0.00 H new ATOM 0 HA GLU A 44 37.156 1.552 -27.712 1.00 0.00 H new ATOM 0 HB2 GLU A 44 38.620 4.065 -28.055 1.00 0.00 H new ATOM 0 HB3 GLU A 44 37.323 3.969 -29.228 1.00 0.00 H new ATOM 0 HG2 GLU A 44 35.656 3.991 -27.603 1.00 0.00 H new ATOM 0 HG3 GLU A 44 36.613 3.080 -26.452 1.00 0.00 H new ATOM 623 N ASP A 45 38.201 2.294 -30.748 1.00 0.00 N ATOM 624 CA ASP A 45 37.982 1.938 -32.182 1.00 0.00 C ATOM 625 C ASP A 45 37.879 0.420 -32.402 1.00 0.00 C ATOM 626 O ASP A 45 36.962 -0.055 -33.041 1.00 0.00 O ATOM 627 CB ASP A 45 39.133 2.487 -33.008 1.00 0.00 C ATOM 628 CG ASP A 45 38.945 2.098 -34.477 1.00 0.00 C ATOM 629 OD1 ASP A 45 37.815 1.845 -34.863 1.00 0.00 O ATOM 630 OD2 ASP A 45 39.933 2.060 -35.189 1.00 0.00 O ATOM 0 H ASP A 45 38.820 3.090 -30.594 1.00 0.00 H new ATOM 0 HA ASP A 45 37.034 2.377 -32.492 1.00 0.00 H new ATOM 0 HB2 ASP A 45 39.177 3.572 -32.912 1.00 0.00 H new ATOM 0 HB3 ASP A 45 40.080 2.095 -32.636 1.00 0.00 H new ATOM 635 N ALA A 46 38.816 -0.342 -31.914 1.00 0.00 N ATOM 636 CA ALA A 46 38.773 -1.820 -32.138 1.00 0.00 C ATOM 637 C ALA A 46 37.547 -2.440 -31.485 1.00 0.00 C ATOM 638 O ALA A 46 36.614 -2.834 -32.150 1.00 0.00 O ATOM 639 CB ALA A 46 40.029 -2.442 -31.565 1.00 0.00 C ATOM 0 H ALA A 46 39.611 -0.009 -31.369 1.00 0.00 H new ATOM 0 HA ALA A 46 38.714 -2.010 -33.210 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.006 -3.520 -31.724 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.903 -2.020 -32.062 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.083 -2.234 -30.496 1.00 0.00 H new ATOM 645 N ILE A 47 37.538 -2.545 -30.196 1.00 0.00 N ATOM 646 CA ILE A 47 36.352 -3.151 -29.524 1.00 0.00 C ATOM 647 C ILE A 47 35.074 -2.469 -30.020 1.00 0.00 C ATOM 648 O ILE A 47 33.985 -2.993 -29.909 1.00 0.00 O ATOM 649 CB ILE A 47 36.472 -2.939 -28.028 1.00 0.00 C ATOM 650 CG1 ILE A 47 35.250 -3.521 -27.320 1.00 0.00 C ATOM 651 CG2 ILE A 47 36.518 -1.456 -27.705 1.00 0.00 C ATOM 652 CD1 ILE A 47 35.467 -3.454 -25.805 1.00 0.00 C ATOM 0 H ILE A 47 38.289 -2.243 -29.576 1.00 0.00 H new ATOM 0 HA ILE A 47 36.310 -4.216 -29.752 1.00 0.00 H new ATOM 0 HB ILE A 47 37.386 -3.430 -27.693 1.00 0.00 H new ATOM 0 HG12 ILE A 47 34.355 -2.964 -27.596 1.00 0.00 H new ATOM 0 HG13 ILE A 47 35.092 -4.553 -27.632 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.604 -1.321 -26.627 1.00 0.00 H new ATOM 0 HG22 ILE A 47 37.378 -1.003 -28.197 1.00 0.00 H new ATOM 0 HG23 ILE A 47 35.604 -0.978 -28.059 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.598 -3.868 -25.294 1.00 0.00 H new ATOM 0 HD12 ILE A 47 36.353 -4.030 -25.539 1.00 0.00 H new ATOM 0 HD13 ILE A 47 35.605 -2.416 -25.503 1.00 0.00 H new ATOM 664 N ILE A 48 35.213 -1.292 -30.555 1.00 0.00 N ATOM 665 CA ILE A 48 34.037 -0.529 -31.058 1.00 0.00 C ATOM 666 C ILE A 48 33.519 -1.180 -32.345 1.00 0.00 C ATOM 667 O ILE A 48 32.333 -1.252 -32.575 1.00 0.00 O ATOM 668 CB ILE A 48 34.469 0.923 -31.321 1.00 0.00 C ATOM 669 CG1 ILE A 48 34.459 1.706 -30.006 1.00 0.00 C ATOM 670 CG2 ILE A 48 33.507 1.599 -32.294 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.985 3.122 -30.253 1.00 0.00 C ATOM 0 H ILE A 48 36.108 -0.816 -30.668 1.00 0.00 H new ATOM 0 HA ILE A 48 33.234 -0.537 -30.321 1.00 0.00 H new ATOM 0 HB ILE A 48 35.471 0.912 -31.750 1.00 0.00 H new ATOM 0 HG12 ILE A 48 33.447 1.747 -29.602 1.00 0.00 H new ATOM 0 HG13 ILE A 48 35.078 1.201 -29.264 1.00 0.00 H new ATOM 0 HG21 ILE A 48 33.828 2.626 -32.469 1.00 0.00 H new ATOM 0 HG22 ILE A 48 33.502 1.055 -33.238 1.00 0.00 H new ATOM 0 HG23 ILE A 48 32.502 1.600 -31.871 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.978 3.681 -29.317 1.00 0.00 H new ATOM 0 HD12 ILE A 48 36.004 3.070 -30.637 1.00 0.00 H new ATOM 0 HD13 ILE A 48 34.348 3.625 -30.981 1.00 0.00 H new ATOM 683 N TYR A 49 34.399 -1.650 -33.184 1.00 0.00 N ATOM 684 CA TYR A 49 33.954 -2.300 -34.449 1.00 0.00 C ATOM 685 C TYR A 49 33.456 -3.724 -34.165 1.00 0.00 C ATOM 686 O TYR A 49 32.636 -4.248 -34.889 1.00 0.00 O ATOM 687 CB TYR A 49 35.121 -2.356 -35.439 1.00 0.00 C ATOM 688 CG TYR A 49 34.759 -3.290 -36.567 1.00 0.00 C ATOM 689 CD1 TYR A 49 33.748 -2.938 -37.464 1.00 0.00 C ATOM 690 CD2 TYR A 49 35.424 -4.515 -36.702 1.00 0.00 C ATOM 691 CE1 TYR A 49 33.400 -3.807 -38.501 1.00 0.00 C ATOM 692 CE2 TYR A 49 35.076 -5.386 -37.739 1.00 0.00 C ATOM 693 CZ TYR A 49 34.064 -5.032 -38.641 1.00 0.00 C ATOM 694 OH TYR A 49 33.722 -5.890 -39.665 1.00 0.00 O ATOM 0 H TYR A 49 35.409 -1.612 -33.048 1.00 0.00 H new ATOM 0 HA TYR A 49 33.140 -1.716 -34.878 1.00 0.00 H new ATOM 0 HB2 TYR A 49 35.334 -1.360 -35.828 1.00 0.00 H new ATOM 0 HB3 TYR A 49 36.025 -2.703 -34.938 1.00 0.00 H new ATOM 0 HD1 TYR A 49 33.235 -1.994 -37.356 1.00 0.00 H new ATOM 0 HD2 TYR A 49 36.204 -4.787 -36.006 1.00 0.00 H new ATOM 0 HE1 TYR A 49 32.619 -3.534 -39.195 1.00 0.00 H new ATOM 0 HE2 TYR A 49 35.587 -6.331 -37.845 1.00 0.00 H new ATOM 0 HH TYR A 49 34.507 -6.413 -39.930 1.00 0.00 H new ATOM 704 N GLN A 50 33.928 -4.369 -33.131 1.00 0.00 N ATOM 705 CA GLN A 50 33.425 -5.748 -32.866 1.00 0.00 C ATOM 706 C GLN A 50 32.184 -5.655 -31.971 1.00 0.00 C ATOM 707 O GLN A 50 31.390 -6.569 -31.894 1.00 0.00 O ATOM 708 CB GLN A 50 34.494 -6.613 -32.198 1.00 0.00 C ATOM 709 CG GLN A 50 35.295 -5.781 -31.216 1.00 0.00 C ATOM 710 CD GLN A 50 36.617 -5.365 -31.870 1.00 0.00 C ATOM 711 OE1 GLN A 50 37.690 -5.231 -31.137 1.00 0.00 O flip ATOM 712 NE2 GLN A 50 36.674 -5.159 -33.066 1.00 0.00 N flip ATOM 0 H GLN A 50 34.622 -4.012 -32.474 1.00 0.00 H new ATOM 0 HA GLN A 50 33.170 -6.220 -33.815 1.00 0.00 H new ATOM 0 HB2 GLN A 50 34.025 -7.450 -31.681 1.00 0.00 H new ATOM 0 HB3 GLN A 50 35.156 -7.036 -32.954 1.00 0.00 H new ATOM 0 HG2 GLN A 50 34.728 -4.898 -30.921 1.00 0.00 H new ATOM 0 HG3 GLN A 50 35.488 -6.353 -30.309 1.00 0.00 H new ATOM 0 HE21 GLN A 50 35.838 -5.263 -33.642 1.00 0.00 H new ATOM 0 HE22 GLN A 50 37.557 -4.883 -33.494 1.00 0.00 H new ATOM 721 N VAL A 51 32.012 -4.543 -31.308 1.00 0.00 N ATOM 722 CA VAL A 51 30.822 -4.354 -30.427 1.00 0.00 C ATOM 723 C VAL A 51 29.653 -3.841 -31.259 1.00 0.00 C ATOM 724 O VAL A 51 28.530 -4.281 -31.128 1.00 0.00 O ATOM 725 CB VAL A 51 31.149 -3.301 -29.371 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.868 -2.871 -28.653 1.00 0.00 C ATOM 727 CG2 VAL A 51 32.128 -3.882 -28.350 1.00 0.00 C ATOM 0 H VAL A 51 32.652 -3.749 -31.339 1.00 0.00 H new ATOM 0 HA VAL A 51 30.564 -5.304 -29.958 1.00 0.00 H new ATOM 0 HB VAL A 51 31.600 -2.437 -29.859 1.00 0.00 H new ATOM 0 HG11 VAL A 51 30.107 -2.120 -27.901 1.00 0.00 H new ATOM 0 HG12 VAL A 51 29.169 -2.451 -29.376 1.00 0.00 H new ATOM 0 HG13 VAL A 51 29.414 -3.736 -28.170 1.00 0.00 H new ATOM 0 HG21 VAL A 51 32.359 -3.128 -27.598 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.678 -4.750 -27.868 1.00 0.00 H new ATOM 0 HG23 VAL A 51 33.045 -4.183 -28.856 1.00 0.00 H new ATOM 737 N GLN A 52 29.923 -2.891 -32.096 1.00 0.00 N ATOM 738 CA GLN A 52 28.862 -2.287 -32.932 1.00 0.00 C ATOM 739 C GLN A 52 28.325 -3.296 -33.937 1.00 0.00 C ATOM 740 O GLN A 52 27.325 -3.055 -34.584 1.00 0.00 O ATOM 741 CB GLN A 52 29.455 -1.104 -33.674 1.00 0.00 C ATOM 742 CG GLN A 52 28.992 0.200 -33.019 1.00 0.00 C ATOM 743 CD GLN A 52 30.195 0.911 -32.394 1.00 0.00 C ATOM 744 OE1 GLN A 52 30.634 1.932 -32.885 1.00 0.00 O ATOM 745 NE2 GLN A 52 30.750 0.413 -31.322 1.00 0.00 N ATOM 0 H GLN A 52 30.854 -2.499 -32.239 1.00 0.00 H new ATOM 0 HA GLN A 52 28.038 -1.969 -32.294 1.00 0.00 H new ATOM 0 HB2 GLN A 52 30.543 -1.163 -33.661 1.00 0.00 H new ATOM 0 HB3 GLN A 52 29.147 -1.127 -34.719 1.00 0.00 H new ATOM 0 HG2 GLN A 52 28.520 0.844 -33.760 1.00 0.00 H new ATOM 0 HG3 GLN A 52 28.243 -0.010 -32.256 1.00 0.00 H new ATOM 0 HE21 GLN A 52 30.383 -0.444 -30.909 1.00 0.00 H new ATOM 0 HE22 GLN A 52 31.551 0.881 -30.898 1.00 0.00 H new ATOM 754 N HIS A 53 28.964 -4.421 -34.091 1.00 0.00 N ATOM 755 CA HIS A 53 28.451 -5.399 -35.068 1.00 0.00 C ATOM 756 C HIS A 53 28.990 -6.766 -34.711 1.00 0.00 C ATOM 757 O HIS A 53 29.105 -7.634 -35.553 1.00 0.00 O ATOM 758 CB HIS A 53 28.932 -5.067 -36.465 1.00 0.00 C ATOM 759 CG HIS A 53 29.408 -3.638 -36.565 1.00 0.00 C ATOM 760 ND1 HIS A 53 30.325 -2.916 -35.840 1.00 0.00 N flip ATOM 761 CD2 HIS A 53 28.941 -2.774 -37.544 1.00 0.00 C flip ATOM 762 CE1 HIS A 53 30.430 -1.631 -36.361 1.00 0.00 C flip ATOM 763 NE2 HIS A 53 29.574 -1.599 -37.384 1.00 0.00 N flip ATOM 0 H HIS A 53 29.807 -4.697 -33.587 1.00 0.00 H new ATOM 0 HA HIS A 53 27.362 -5.376 -35.043 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.743 -5.741 -36.741 1.00 0.00 H new ATOM 0 HB3 HIS A 53 28.124 -5.232 -37.177 1.00 0.00 H new ATOM 0 HD1 HIS A 53 30.850 -3.269 -35.040 1.00 0.00 H new ATOM 0 HD2 HIS A 53 28.203 -3.003 -38.298 1.00 0.00 H new ATOM 0 HE1 HIS A 53 31.067 -0.831 -36.013 1.00 0.00 H new ATOM 771 N GLY A 54 29.358 -6.973 -33.485 1.00 0.00 N ATOM 772 CA GLY A 54 29.916 -8.286 -33.144 1.00 0.00 C ATOM 773 C GLY A 54 31.091 -8.532 -34.071 1.00 0.00 C ATOM 774 O GLY A 54 31.848 -7.642 -34.389 1.00 0.00 O ATOM 0 H GLY A 54 29.296 -6.299 -32.722 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.237 -8.308 -32.103 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.164 -9.066 -33.262 1.00 0.00 H new ATOM 778 N LYS A 55 31.217 -9.735 -34.494 1.00 0.00 N ATOM 779 CA LYS A 55 32.323 -10.142 -35.413 1.00 0.00 C ATOM 780 C LYS A 55 32.582 -11.631 -35.213 1.00 0.00 C ATOM 781 O LYS A 55 32.498 -12.136 -34.112 1.00 0.00 O ATOM 782 CB LYS A 55 33.598 -9.356 -35.092 1.00 0.00 C ATOM 783 CG LYS A 55 33.937 -8.354 -36.219 1.00 0.00 C ATOM 784 CD LYS A 55 32.675 -7.852 -36.941 1.00 0.00 C ATOM 785 CE LYS A 55 32.602 -8.482 -38.335 1.00 0.00 C ATOM 786 NZ LYS A 55 31.194 -8.452 -38.822 1.00 0.00 N ATOM 0 H LYS A 55 30.584 -10.493 -34.241 1.00 0.00 H new ATOM 0 HA LYS A 55 32.040 -9.935 -36.445 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.470 -8.820 -34.152 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.429 -10.047 -34.955 1.00 0.00 H new ATOM 0 HG2 LYS A 55 34.477 -7.505 -35.799 1.00 0.00 H new ATOM 0 HG3 LYS A 55 34.602 -8.830 -36.940 1.00 0.00 H new ATOM 0 HD2 LYS A 55 31.786 -8.111 -36.366 1.00 0.00 H new ATOM 0 HD3 LYS A 55 32.697 -6.765 -37.022 1.00 0.00 H new ATOM 0 HE2 LYS A 55 33.248 -7.939 -39.025 1.00 0.00 H new ATOM 0 HE3 LYS A 55 32.964 -9.510 -38.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 31.145 -8.880 -39.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 30.589 -8.988 -38.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 30.864 -7.467 -38.870 1.00 0.00 H new ATOM 800 N ASN A 56 32.877 -12.346 -36.262 1.00 0.00 N ATOM 801 CA ASN A 56 33.115 -13.805 -36.111 1.00 0.00 C ATOM 802 C ASN A 56 31.892 -14.422 -35.426 1.00 0.00 C ATOM 803 O ASN A 56 30.937 -14.815 -36.068 1.00 0.00 O ATOM 804 CB ASN A 56 34.359 -14.041 -35.249 1.00 0.00 C ATOM 805 CG ASN A 56 35.616 -13.728 -36.063 1.00 0.00 C ATOM 806 OD1 ASN A 56 36.134 -14.581 -36.754 1.00 0.00 O ATOM 807 ND2 ASN A 56 36.133 -12.530 -36.007 1.00 0.00 N ATOM 0 H ASN A 56 32.963 -11.984 -37.212 1.00 0.00 H new ATOM 0 HA ASN A 56 33.273 -14.262 -37.088 1.00 0.00 H new ATOM 0 HB2 ASN A 56 34.323 -13.411 -34.361 1.00 0.00 H new ATOM 0 HB3 ASN A 56 34.385 -15.075 -34.905 1.00 0.00 H new ATOM 0 HD21 ASN A 56 36.972 -12.311 -36.544 1.00 0.00 H new ATOM 0 HD22 ASN A 56 35.698 -11.813 -35.426 1.00 0.00 H new ATOM 814 N ALA A 57 31.907 -14.486 -34.122 1.00 0.00 N ATOM 815 CA ALA A 57 30.744 -15.046 -33.379 1.00 0.00 C ATOM 816 C ALA A 57 30.357 -14.062 -32.274 1.00 0.00 C ATOM 817 O ALA A 57 30.200 -14.427 -31.126 1.00 0.00 O ATOM 818 CB ALA A 57 31.128 -16.392 -32.761 1.00 0.00 C ATOM 0 H ALA A 57 32.681 -14.172 -33.536 1.00 0.00 H new ATOM 0 HA ALA A 57 29.903 -15.197 -34.056 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.275 -16.800 -32.218 1.00 0.00 H new ATOM 0 HB2 ALA A 57 31.420 -17.085 -33.550 1.00 0.00 H new ATOM 0 HB3 ALA A 57 31.962 -16.252 -32.074 1.00 0.00 H new ATOM 824 N MET A 58 30.222 -12.808 -32.615 1.00 0.00 N ATOM 825 CA MET A 58 29.867 -11.781 -31.594 1.00 0.00 C ATOM 826 C MET A 58 28.550 -11.090 -32.001 1.00 0.00 C ATOM 827 O MET A 58 28.281 -10.921 -33.173 1.00 0.00 O ATOM 828 CB MET A 58 31.013 -10.770 -31.518 1.00 0.00 C ATOM 829 CG MET A 58 30.827 -9.850 -30.322 1.00 0.00 C ATOM 830 SD MET A 58 32.277 -8.785 -30.159 1.00 0.00 S ATOM 831 CE MET A 58 31.410 -7.382 -29.434 1.00 0.00 C ATOM 0 H MET A 58 30.343 -12.450 -33.562 1.00 0.00 H new ATOM 0 HA MET A 58 29.722 -12.238 -30.615 1.00 0.00 H new ATOM 0 HB2 MET A 58 31.965 -11.295 -31.437 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.050 -10.182 -32.435 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.929 -9.245 -30.450 1.00 0.00 H new ATOM 0 HG3 MET A 58 30.689 -10.438 -29.414 1.00 0.00 H new ATOM 0 HE1 MET A 58 32.122 -6.584 -29.223 1.00 0.00 H new ATOM 0 HE2 MET A 58 30.655 -7.020 -30.132 1.00 0.00 H new ATOM 0 HE3 MET A 58 30.928 -7.692 -28.507 1.00 0.00 H new ATOM 841 N PRO A 59 27.751 -10.751 -31.015 1.00 0.00 N ATOM 842 CA PRO A 59 26.429 -10.121 -31.227 1.00 0.00 C ATOM 843 C PRO A 59 26.498 -8.601 -31.449 1.00 0.00 C ATOM 844 O PRO A 59 26.672 -7.837 -30.520 1.00 0.00 O ATOM 845 CB PRO A 59 25.691 -10.414 -29.921 1.00 0.00 C ATOM 846 CG PRO A 59 26.775 -10.665 -28.848 1.00 0.00 C ATOM 847 CD PRO A 59 28.081 -10.980 -29.593 1.00 0.00 C ATOM 0 HA PRO A 59 25.950 -10.511 -32.125 1.00 0.00 H new ATOM 0 HB2 PRO A 59 25.054 -9.576 -29.639 1.00 0.00 H new ATOM 0 HB3 PRO A 59 25.044 -11.284 -30.029 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.896 -9.789 -28.210 1.00 0.00 H new ATOM 0 HG3 PRO A 59 26.491 -11.494 -28.200 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.894 -10.333 -29.263 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.401 -12.007 -29.419 1.00 0.00 H new ATOM 855 N ALA A 60 26.320 -8.159 -32.669 1.00 0.00 N ATOM 856 CA ALA A 60 26.324 -6.700 -32.961 1.00 0.00 C ATOM 857 C ALA A 60 25.602 -5.923 -31.851 1.00 0.00 C ATOM 858 O ALA A 60 24.735 -6.438 -31.173 1.00 0.00 O ATOM 859 CB ALA A 60 25.569 -6.475 -34.272 1.00 0.00 C ATOM 0 H ALA A 60 26.171 -8.757 -33.482 1.00 0.00 H new ATOM 0 HA ALA A 60 27.354 -6.351 -33.027 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.558 -5.411 -34.508 1.00 0.00 H new ATOM 0 HB2 ALA A 60 26.065 -7.020 -35.075 1.00 0.00 H new ATOM 0 HB3 ALA A 60 24.545 -6.834 -34.168 1.00 0.00 H new ATOM 865 N PHE A 61 25.943 -4.672 -31.691 1.00 0.00 N ATOM 866 CA PHE A 61 25.290 -3.822 -30.677 1.00 0.00 C ATOM 867 C PHE A 61 24.997 -2.453 -31.302 1.00 0.00 C ATOM 868 O PHE A 61 24.516 -1.551 -30.646 1.00 0.00 O ATOM 869 CB PHE A 61 26.213 -3.657 -29.469 1.00 0.00 C ATOM 870 CG PHE A 61 26.207 -4.938 -28.678 1.00 0.00 C ATOM 871 CD1 PHE A 61 24.990 -5.491 -28.290 1.00 0.00 C ATOM 872 CD2 PHE A 61 27.409 -5.572 -28.338 1.00 0.00 C ATOM 873 CE1 PHE A 61 24.962 -6.683 -27.556 1.00 0.00 C ATOM 874 CE2 PHE A 61 27.384 -6.764 -27.603 1.00 0.00 C ATOM 875 CZ PHE A 61 26.160 -7.319 -27.211 1.00 0.00 C ATOM 0 H PHE A 61 26.664 -4.201 -32.238 1.00 0.00 H new ATOM 0 HA PHE A 61 24.360 -4.284 -30.345 1.00 0.00 H new ATOM 0 HB2 PHE A 61 27.225 -3.420 -29.797 1.00 0.00 H new ATOM 0 HB3 PHE A 61 25.877 -2.827 -28.847 1.00 0.00 H new ATOM 0 HD1 PHE A 61 24.066 -5.000 -28.556 1.00 0.00 H new ATOM 0 HD2 PHE A 61 28.352 -5.143 -28.642 1.00 0.00 H new ATOM 0 HE1 PHE A 61 24.017 -7.111 -27.256 1.00 0.00 H new ATOM 0 HE2 PHE A 61 28.309 -7.255 -27.339 1.00 0.00 H new ATOM 0 HZ PHE A 61 26.140 -8.237 -26.643 1.00 0.00 H new ATOM 885 N ALA A 62 25.286 -2.292 -32.572 1.00 0.00 N ATOM 886 CA ALA A 62 25.028 -0.993 -33.243 1.00 0.00 C ATOM 887 C ALA A 62 23.650 -0.479 -32.841 1.00 0.00 C ATOM 888 O ALA A 62 23.417 0.712 -32.792 1.00 0.00 O ATOM 889 CB ALA A 62 25.075 -1.182 -34.760 1.00 0.00 C ATOM 0 H ALA A 62 25.691 -3.013 -33.169 1.00 0.00 H new ATOM 0 HA ALA A 62 25.789 -0.273 -32.942 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.885 -0.228 -35.252 1.00 0.00 H new ATOM 0 HB2 ALA A 62 26.059 -1.551 -35.050 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.314 -1.902 -35.061 1.00 0.00 H new ATOM 895 N GLY A 63 22.732 -1.360 -32.550 1.00 0.00 N ATOM 896 CA GLY A 63 21.381 -0.890 -32.149 1.00 0.00 C ATOM 897 C GLY A 63 20.664 -1.984 -31.374 1.00 0.00 C ATOM 898 O GLY A 63 19.464 -2.151 -31.466 1.00 0.00 O ATOM 0 H GLY A 63 22.858 -2.372 -32.573 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.465 0.007 -31.536 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.803 -0.619 -33.033 1.00 0.00 H new ATOM 902 N ARG A 64 21.393 -2.705 -30.586 1.00 0.00 N ATOM 903 CA ARG A 64 20.781 -3.768 -29.763 1.00 0.00 C ATOM 904 C ARG A 64 20.678 -3.183 -28.376 1.00 0.00 C ATOM 905 O ARG A 64 19.648 -3.197 -27.732 1.00 0.00 O ATOM 906 CB ARG A 64 21.710 -4.968 -29.737 1.00 0.00 C ATOM 907 CG ARG A 64 20.905 -6.260 -29.709 1.00 0.00 C ATOM 908 CD ARG A 64 21.861 -7.398 -29.379 1.00 0.00 C ATOM 909 NE ARG A 64 21.182 -8.707 -29.588 1.00 0.00 N ATOM 910 CZ ARG A 64 20.929 -9.479 -28.568 1.00 0.00 C ATOM 911 NH1 ARG A 64 21.905 -10.093 -27.956 1.00 0.00 N ATOM 912 NH2 ARG A 64 19.701 -9.635 -28.157 1.00 0.00 N ATOM 0 H ARG A 64 22.402 -2.602 -30.475 1.00 0.00 H new ATOM 0 HA ARG A 64 19.812 -4.088 -30.146 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.357 -4.954 -30.614 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.358 -4.916 -28.862 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.112 -6.200 -28.964 1.00 0.00 H new ATOM 0 HG3 ARG A 64 20.425 -6.432 -30.672 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.748 -7.334 -30.009 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.197 -7.314 -28.346 1.00 0.00 H new ATOM 0 HE ARG A 64 20.915 -8.999 -30.528 1.00 0.00 H new ATOM 0 HH11 ARG A 64 22.866 -9.969 -28.276 1.00 0.00 H new ATOM 0 HH12 ARG A 64 21.707 -10.697 -27.158 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.939 -9.153 -28.633 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.503 -10.239 -27.359 1.00 0.00 H new ATOM 926 N LEU A 65 21.767 -2.619 -27.946 1.00 0.00 N ATOM 927 CA LEU A 65 21.804 -1.955 -26.625 1.00 0.00 C ATOM 928 C LEU A 65 21.501 -0.476 -26.848 1.00 0.00 C ATOM 929 O LEU A 65 20.747 -0.110 -27.727 1.00 0.00 O ATOM 930 CB LEU A 65 23.195 -2.124 -26.007 1.00 0.00 C ATOM 931 CG LEU A 65 23.795 -3.457 -26.464 1.00 0.00 C ATOM 932 CD1 LEU A 65 25.152 -3.668 -25.791 1.00 0.00 C ATOM 933 CD2 LEU A 65 22.852 -4.598 -26.080 1.00 0.00 C ATOM 0 H LEU A 65 22.645 -2.591 -28.464 1.00 0.00 H new ATOM 0 HA LEU A 65 21.073 -2.393 -25.946 1.00 0.00 H new ATOM 0 HB2 LEU A 65 23.841 -1.299 -26.308 1.00 0.00 H new ATOM 0 HB3 LEU A 65 23.128 -2.096 -24.919 1.00 0.00 H new ATOM 0 HG LEU A 65 23.927 -3.442 -27.546 1.00 0.00 H new ATOM 0 HD11 LEU A 65 25.577 -4.617 -26.118 1.00 0.00 H new ATOM 0 HD12 LEU A 65 25.825 -2.856 -26.066 1.00 0.00 H new ATOM 0 HD13 LEU A 65 25.023 -3.682 -24.709 1.00 0.00 H new ATOM 0 HD21 LEU A 65 23.278 -5.547 -26.405 1.00 0.00 H new ATOM 0 HD22 LEU A 65 22.719 -4.611 -24.998 1.00 0.00 H new ATOM 0 HD23 LEU A 65 21.886 -4.450 -26.563 1.00 0.00 H new ATOM 945 N THR A 66 22.093 0.371 -26.077 1.00 0.00 N ATOM 946 CA THR A 66 21.858 1.837 -26.255 1.00 0.00 C ATOM 947 C THR A 66 22.806 2.357 -27.337 1.00 0.00 C ATOM 948 O THR A 66 23.488 1.591 -27.979 1.00 0.00 O ATOM 949 CB THR A 66 22.110 2.583 -24.936 1.00 0.00 C ATOM 950 OG1 THR A 66 21.940 1.689 -23.845 1.00 0.00 O ATOM 951 CG2 THR A 66 21.112 3.730 -24.818 1.00 0.00 C ATOM 0 H THR A 66 22.735 0.123 -25.324 1.00 0.00 H new ATOM 0 HA THR A 66 20.823 2.007 -26.552 1.00 0.00 H new ATOM 0 HB THR A 66 23.127 2.976 -24.922 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.166 1.966 -23.312 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.283 4.266 -23.884 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.242 4.413 -25.658 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.097 3.332 -24.828 1.00 0.00 H new ATOM 959 N ASP A 67 22.857 3.646 -27.545 1.00 0.00 N ATOM 960 CA ASP A 67 23.767 4.200 -28.580 1.00 0.00 C ATOM 961 C ASP A 67 25.088 4.579 -27.910 1.00 0.00 C ATOM 962 O ASP A 67 26.150 4.103 -28.271 1.00 0.00 O ATOM 963 CB ASP A 67 23.138 5.443 -29.213 1.00 0.00 C ATOM 964 CG ASP A 67 21.636 5.216 -29.401 1.00 0.00 C ATOM 965 OD1 ASP A 67 21.280 4.266 -30.078 1.00 0.00 O ATOM 966 OD2 ASP A 67 20.867 5.996 -28.864 1.00 0.00 O ATOM 0 H ASP A 67 22.304 4.338 -27.039 1.00 0.00 H new ATOM 0 HA ASP A 67 23.940 3.458 -29.359 1.00 0.00 H new ATOM 0 HB2 ASP A 67 23.308 6.313 -28.579 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.608 5.652 -30.174 1.00 0.00 H new ATOM 971 N GLU A 68 25.011 5.405 -26.903 1.00 0.00 N ATOM 972 CA GLU A 68 26.230 5.816 -26.151 1.00 0.00 C ATOM 973 C GLU A 68 26.721 4.641 -25.296 1.00 0.00 C ATOM 974 O GLU A 68 27.637 4.770 -24.516 1.00 0.00 O ATOM 975 CB GLU A 68 25.860 6.973 -25.232 1.00 0.00 C ATOM 976 CG GLU A 68 25.693 8.248 -26.060 1.00 0.00 C ATOM 977 CD GLU A 68 26.008 9.470 -25.193 1.00 0.00 C ATOM 978 OE1 GLU A 68 27.174 9.812 -25.088 1.00 0.00 O ATOM 979 OE2 GLU A 68 25.077 10.041 -24.649 1.00 0.00 O ATOM 0 H GLU A 68 24.142 5.818 -26.565 1.00 0.00 H new ATOM 0 HA GLU A 68 27.015 6.115 -26.846 1.00 0.00 H new ATOM 0 HB2 GLU A 68 24.935 6.748 -24.701 1.00 0.00 H new ATOM 0 HB3 GLU A 68 26.634 7.115 -24.478 1.00 0.00 H new ATOM 0 HG2 GLU A 68 26.357 8.222 -26.924 1.00 0.00 H new ATOM 0 HG3 GLU A 68 24.675 8.314 -26.443 1.00 0.00 H new ATOM 986 N GLN A 69 26.103 3.505 -25.445 1.00 0.00 N ATOM 987 CA GLN A 69 26.485 2.298 -24.671 1.00 0.00 C ATOM 988 C GLN A 69 27.295 1.396 -25.588 1.00 0.00 C ATOM 989 O GLN A 69 28.211 0.744 -25.165 1.00 0.00 O ATOM 990 CB GLN A 69 25.211 1.602 -24.222 1.00 0.00 C ATOM 991 CG GLN A 69 24.746 2.181 -22.883 1.00 0.00 C ATOM 992 CD GLN A 69 24.737 3.690 -23.000 1.00 0.00 C ATOM 993 OE1 GLN A 69 23.716 4.290 -23.269 1.00 0.00 O ATOM 994 NE2 GLN A 69 25.844 4.334 -22.803 1.00 0.00 N ATOM 0 H GLN A 69 25.327 3.361 -26.091 1.00 0.00 H new ATOM 0 HA GLN A 69 27.081 2.550 -23.794 1.00 0.00 H new ATOM 0 HB2 GLN A 69 24.432 1.730 -24.974 1.00 0.00 H new ATOM 0 HB3 GLN A 69 25.387 0.531 -24.124 1.00 0.00 H new ATOM 0 HG2 GLN A 69 23.751 1.813 -22.634 1.00 0.00 H new ATOM 0 HG3 GLN A 69 25.412 1.866 -22.080 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.698 3.824 -22.577 1.00 0.00 H new ATOM 0 HE22 GLN A 69 25.862 5.351 -22.873 1.00 0.00 H new ATOM 1003 N ILE A 70 27.014 1.405 -26.861 1.00 0.00 N ATOM 1004 CA ILE A 70 27.846 0.601 -27.785 1.00 0.00 C ATOM 1005 C ILE A 70 29.172 1.342 -27.866 1.00 0.00 C ATOM 1006 O ILE A 70 30.220 0.787 -28.129 1.00 0.00 O ATOM 1007 CB ILE A 70 27.198 0.562 -29.166 1.00 0.00 C ATOM 1008 CG1 ILE A 70 25.677 0.565 -29.024 1.00 0.00 C ATOM 1009 CG2 ILE A 70 27.639 -0.701 -29.908 1.00 0.00 C ATOM 1010 CD1 ILE A 70 25.259 -0.456 -27.964 1.00 0.00 C ATOM 0 H ILE A 70 26.253 1.929 -27.293 1.00 0.00 H new ATOM 0 HA ILE A 70 27.964 -0.427 -27.443 1.00 0.00 H new ATOM 0 HB ILE A 70 27.509 1.441 -29.731 1.00 0.00 H new ATOM 0 HG12 ILE A 70 25.330 1.559 -28.743 1.00 0.00 H new ATOM 0 HG13 ILE A 70 25.212 0.323 -29.980 1.00 0.00 H new ATOM 0 HG21 ILE A 70 27.174 -0.725 -30.894 1.00 0.00 H new ATOM 0 HG22 ILE A 70 28.723 -0.698 -30.018 1.00 0.00 H new ATOM 0 HG23 ILE A 70 27.334 -1.581 -29.342 1.00 0.00 H new ATOM 0 HD11 ILE A 70 24.174 -0.453 -27.864 1.00 0.00 H new ATOM 0 HD12 ILE A 70 25.593 -1.449 -28.264 1.00 0.00 H new ATOM 0 HD13 ILE A 70 25.712 -0.194 -27.008 1.00 0.00 H new ATOM 1022 N GLN A 71 29.091 2.622 -27.624 1.00 0.00 N ATOM 1023 CA GLN A 71 30.264 3.509 -27.646 1.00 0.00 C ATOM 1024 C GLN A 71 30.977 3.455 -26.299 1.00 0.00 C ATOM 1025 O GLN A 71 32.102 3.012 -26.175 1.00 0.00 O ATOM 1026 CB GLN A 71 29.735 4.926 -27.836 1.00 0.00 C ATOM 1027 CG GLN A 71 29.336 5.142 -29.299 1.00 0.00 C ATOM 1028 CD GLN A 71 30.333 6.091 -29.969 1.00 0.00 C ATOM 1029 OE1 GLN A 71 30.772 7.128 -29.312 1.00 0.00 O flip ATOM 1030 NE2 GLN A 71 30.717 5.885 -31.104 1.00 0.00 N flip ATOM 0 H GLN A 71 28.216 3.098 -27.404 1.00 0.00 H new ATOM 0 HA GLN A 71 30.955 3.212 -28.435 1.00 0.00 H new ATOM 0 HB2 GLN A 71 28.875 5.092 -27.187 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.497 5.650 -27.547 1.00 0.00 H new ATOM 0 HG2 GLN A 71 29.317 4.188 -29.826 1.00 0.00 H new ATOM 0 HG3 GLN A 71 28.330 5.557 -29.354 1.00 0.00 H new ATOM 0 HE21 GLN A 71 30.374 5.074 -31.619 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.382 6.523 -31.541 1.00 0.00 H new ATOM 1039 N ASP A 72 30.308 3.948 -25.304 1.00 0.00 N ATOM 1040 CA ASP A 72 30.856 4.005 -23.934 1.00 0.00 C ATOM 1041 C ASP A 72 31.223 2.610 -23.429 1.00 0.00 C ATOM 1042 O ASP A 72 32.099 2.470 -22.616 1.00 0.00 O ATOM 1043 CB ASP A 72 29.790 4.608 -23.034 1.00 0.00 C ATOM 1044 CG ASP A 72 30.294 4.636 -21.594 1.00 0.00 C ATOM 1045 OD1 ASP A 72 31.453 4.321 -21.392 1.00 0.00 O ATOM 1046 OD2 ASP A 72 29.515 4.977 -20.720 1.00 0.00 O ATOM 0 H ASP A 72 29.366 4.328 -25.391 1.00 0.00 H new ATOM 0 HA ASP A 72 31.763 4.609 -23.928 1.00 0.00 H new ATOM 0 HB2 ASP A 72 29.548 5.618 -23.365 1.00 0.00 H new ATOM 0 HB3 ASP A 72 28.872 4.023 -23.098 1.00 0.00 H new ATOM 1051 N VAL A 73 30.561 1.583 -23.893 1.00 0.00 N ATOM 1052 CA VAL A 73 30.896 0.206 -23.424 1.00 0.00 C ATOM 1053 C VAL A 73 32.278 -0.166 -23.979 1.00 0.00 C ATOM 1054 O VAL A 73 33.007 -0.953 -23.410 1.00 0.00 O ATOM 1055 CB VAL A 73 29.869 -0.800 -23.942 1.00 0.00 C ATOM 1056 CG1 VAL A 73 30.035 -0.971 -25.455 1.00 0.00 C ATOM 1057 CG2 VAL A 73 30.101 -2.143 -23.264 1.00 0.00 C ATOM 0 H VAL A 73 29.804 1.638 -24.575 1.00 0.00 H new ATOM 0 HA VAL A 73 30.892 0.183 -22.334 1.00 0.00 H new ATOM 0 HB VAL A 73 28.864 -0.439 -23.723 1.00 0.00 H new ATOM 0 HG11 VAL A 73 29.302 -1.689 -25.823 1.00 0.00 H new ATOM 0 HG12 VAL A 73 29.882 -0.011 -25.949 1.00 0.00 H new ATOM 0 HG13 VAL A 73 31.039 -1.335 -25.672 1.00 0.00 H new ATOM 0 HG21 VAL A 73 29.371 -2.866 -23.629 1.00 0.00 H new ATOM 0 HG22 VAL A 73 31.107 -2.496 -23.491 1.00 0.00 H new ATOM 0 HG23 VAL A 73 29.991 -2.030 -22.185 1.00 0.00 H new ATOM 1067 N ALA A 74 32.655 0.410 -25.085 1.00 0.00 N ATOM 1068 CA ALA A 74 34.001 0.114 -25.639 1.00 0.00 C ATOM 1069 C ALA A 74 34.983 0.874 -24.762 1.00 0.00 C ATOM 1070 O ALA A 74 35.854 0.310 -24.123 1.00 0.00 O ATOM 1071 CB ALA A 74 34.098 0.599 -27.087 1.00 0.00 C ATOM 0 H ALA A 74 32.093 1.068 -25.625 1.00 0.00 H new ATOM 0 HA ALA A 74 34.208 -0.956 -25.643 1.00 0.00 H new ATOM 0 HB1 ALA A 74 35.090 0.375 -27.480 1.00 0.00 H new ATOM 0 HB2 ALA A 74 33.346 0.093 -27.692 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.928 1.675 -27.122 1.00 0.00 H new ATOM 1077 N ALA A 75 34.792 2.159 -24.671 1.00 0.00 N ATOM 1078 CA ALA A 75 35.645 2.967 -23.776 1.00 0.00 C ATOM 1079 C ALA A 75 35.444 2.414 -22.363 1.00 0.00 C ATOM 1080 O ALA A 75 36.256 2.600 -21.478 1.00 0.00 O ATOM 1081 CB ALA A 75 35.188 4.428 -23.834 1.00 0.00 C ATOM 0 H ALA A 75 34.079 2.680 -25.181 1.00 0.00 H new ATOM 0 HA ALA A 75 36.694 2.920 -24.067 1.00 0.00 H new ATOM 0 HB1 ALA A 75 35.813 5.031 -23.176 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.276 4.796 -24.856 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.149 4.497 -23.512 1.00 0.00 H new ATOM 1087 N TYR A 76 34.357 1.706 -22.172 1.00 0.00 N ATOM 1088 CA TYR A 76 34.052 1.100 -20.849 1.00 0.00 C ATOM 1089 C TYR A 76 35.072 0.010 -20.581 1.00 0.00 C ATOM 1090 O TYR A 76 35.567 -0.136 -19.486 1.00 0.00 O ATOM 1091 CB TYR A 76 32.652 0.476 -20.883 1.00 0.00 C ATOM 1092 CG TYR A 76 32.411 -0.275 -19.614 1.00 0.00 C ATOM 1093 CD1 TYR A 76 31.987 0.397 -18.501 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.609 -1.644 -19.564 1.00 0.00 C ATOM 1095 CE1 TYR A 76 31.760 -0.282 -17.318 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.382 -2.345 -18.378 1.00 0.00 C ATOM 1097 CZ TYR A 76 31.957 -1.660 -17.248 1.00 0.00 C ATOM 1098 OH TYR A 76 31.730 -2.336 -16.067 1.00 0.00 O ATOM 0 H TYR A 76 33.660 1.523 -22.893 1.00 0.00 H new ATOM 0 HA TYR A 76 34.090 1.861 -20.070 1.00 0.00 H new ATOM 0 HB2 TYR A 76 31.898 1.254 -21.007 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.562 -0.194 -21.738 1.00 0.00 H new ATOM 0 HD1 TYR A 76 31.829 1.464 -18.546 1.00 0.00 H new ATOM 0 HD2 TYR A 76 32.940 -2.172 -20.446 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.428 0.258 -16.444 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.536 -3.413 -18.340 1.00 0.00 H new ATOM 0 HH TYR A 76 31.720 -1.699 -15.322 1.00 0.00 H new ATOM 1108 N VAL A 77 35.394 -0.753 -21.583 1.00 0.00 N ATOM 1109 CA VAL A 77 36.391 -1.826 -21.393 1.00 0.00 C ATOM 1110 C VAL A 77 37.756 -1.179 -21.196 1.00 0.00 C ATOM 1111 O VAL A 77 38.653 -1.758 -20.615 1.00 0.00 O ATOM 1112 CB VAL A 77 36.416 -2.739 -22.620 1.00 0.00 C ATOM 1113 CG1 VAL A 77 37.661 -3.627 -22.570 1.00 0.00 C ATOM 1114 CG2 VAL A 77 35.163 -3.617 -22.628 1.00 0.00 C ATOM 0 H VAL A 77 35.008 -0.677 -22.524 1.00 0.00 H new ATOM 0 HA VAL A 77 36.133 -2.428 -20.522 1.00 0.00 H new ATOM 0 HB VAL A 77 36.440 -2.131 -23.525 1.00 0.00 H new ATOM 0 HG11 VAL A 77 37.679 -4.278 -23.444 1.00 0.00 H new ATOM 0 HG12 VAL A 77 38.554 -3.002 -22.564 1.00 0.00 H new ATOM 0 HG13 VAL A 77 37.638 -4.235 -21.666 1.00 0.00 H new ATOM 0 HG21 VAL A 77 35.180 -4.268 -23.502 1.00 0.00 H new ATOM 0 HG22 VAL A 77 35.139 -4.225 -21.724 1.00 0.00 H new ATOM 0 HG23 VAL A 77 34.276 -2.985 -22.664 1.00 0.00 H new ATOM 1124 N LEU A 78 37.915 0.031 -21.659 1.00 0.00 N ATOM 1125 CA LEU A 78 39.219 0.721 -21.474 1.00 0.00 C ATOM 1126 C LEU A 78 39.222 1.396 -20.099 1.00 0.00 C ATOM 1127 O LEU A 78 40.226 1.910 -19.649 1.00 0.00 O ATOM 1128 CB LEU A 78 39.414 1.774 -22.569 1.00 0.00 C ATOM 1129 CG LEU A 78 38.704 1.331 -23.855 1.00 0.00 C ATOM 1130 CD1 LEU A 78 39.069 2.290 -24.991 1.00 0.00 C ATOM 1131 CD2 LEU A 78 39.142 -0.087 -24.228 1.00 0.00 C ATOM 0 H LEU A 78 37.202 0.567 -22.154 1.00 0.00 H new ATOM 0 HA LEU A 78 40.033 -0.002 -21.537 1.00 0.00 H new ATOM 0 HB2 LEU A 78 39.018 2.734 -22.237 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.477 1.918 -22.762 1.00 0.00 H new ATOM 0 HG LEU A 78 37.626 1.343 -23.694 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.566 1.978 -25.906 1.00 0.00 H new ATOM 0 HD12 LEU A 78 38.754 3.300 -24.730 1.00 0.00 H new ATOM 0 HD13 LEU A 78 40.148 2.276 -25.147 1.00 0.00 H new ATOM 0 HD21 LEU A 78 38.635 -0.396 -25.142 1.00 0.00 H new ATOM 0 HD22 LEU A 78 40.220 -0.105 -24.388 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.884 -0.772 -23.420 1.00 0.00 H new ATOM 1143 N ASP A 79 38.094 1.409 -19.435 1.00 0.00 N ATOM 1144 CA ASP A 79 38.003 2.051 -18.110 1.00 0.00 C ATOM 1145 C ASP A 79 38.105 0.981 -17.027 1.00 0.00 C ATOM 1146 O ASP A 79 38.655 1.192 -15.965 1.00 0.00 O ATOM 1147 CB ASP A 79 36.644 2.739 -18.002 1.00 0.00 C ATOM 1148 CG ASP A 79 36.752 3.947 -17.069 1.00 0.00 C ATOM 1149 OD1 ASP A 79 37.122 5.008 -17.544 1.00 0.00 O ATOM 1150 OD2 ASP A 79 36.459 3.791 -15.894 1.00 0.00 O ATOM 0 H ASP A 79 37.225 0.993 -19.769 1.00 0.00 H new ATOM 0 HA ASP A 79 38.808 2.776 -17.986 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.307 3.058 -18.988 1.00 0.00 H new ATOM 0 HB3 ASP A 79 35.900 2.039 -17.622 1.00 0.00 H new ATOM 1155 N GLN A 80 37.553 -0.165 -17.300 1.00 0.00 N ATOM 1156 CA GLN A 80 37.568 -1.276 -16.323 1.00 0.00 C ATOM 1157 C GLN A 80 38.905 -2.015 -16.394 1.00 0.00 C ATOM 1158 O GLN A 80 39.408 -2.504 -15.402 1.00 0.00 O ATOM 1159 CB GLN A 80 36.444 -2.235 -16.692 1.00 0.00 C ATOM 1160 CG GLN A 80 35.145 -1.456 -16.893 1.00 0.00 C ATOM 1161 CD GLN A 80 34.274 -1.573 -15.641 1.00 0.00 C ATOM 1162 OE1 GLN A 80 33.669 -0.511 -15.185 1.00 0.00 O flip ATOM 1163 NE2 GLN A 80 34.143 -2.638 -15.072 1.00 0.00 N flip ATOM 0 H GLN A 80 37.083 -0.379 -18.179 1.00 0.00 H new ATOM 0 HA GLN A 80 37.434 -0.890 -15.312 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.699 -2.776 -17.603 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.315 -2.979 -15.906 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.366 -0.408 -17.097 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.608 -1.843 -17.759 1.00 0.00 H new ATOM 0 HE21 GLN A 80 34.616 -3.468 -15.429 1.00 0.00 H new ATOM 0 HE22 GLN A 80 33.560 -2.702 -14.238 1.00 0.00 H new ATOM 1172 N ALA A 81 39.480 -2.105 -17.560 1.00 0.00 N ATOM 1173 CA ALA A 81 40.781 -2.818 -17.692 1.00 0.00 C ATOM 1174 C ALA A 81 41.836 -2.087 -16.870 1.00 0.00 C ATOM 1175 O ALA A 81 42.571 -2.684 -16.108 1.00 0.00 O ATOM 1176 CB ALA A 81 41.205 -2.839 -19.161 1.00 0.00 C ATOM 0 H ALA A 81 39.107 -1.717 -18.426 1.00 0.00 H new ATOM 0 HA ALA A 81 40.677 -3.841 -17.331 1.00 0.00 H new ATOM 0 HB1 ALA A 81 42.157 -3.361 -19.257 1.00 0.00 H new ATOM 0 HB2 ALA A 81 40.447 -3.355 -19.751 1.00 0.00 H new ATOM 0 HB3 ALA A 81 41.313 -1.817 -19.523 1.00 0.00 H new ATOM 1182 N ALA A 82 41.915 -0.797 -17.018 1.00 0.00 N ATOM 1183 CA ALA A 82 42.916 -0.023 -16.253 1.00 0.00 C ATOM 1184 C ALA A 82 42.326 0.370 -14.900 1.00 0.00 C ATOM 1185 O ALA A 82 42.799 1.279 -14.248 1.00 0.00 O ATOM 1186 CB ALA A 82 43.290 1.240 -17.032 1.00 0.00 C ATOM 0 H ALA A 82 41.324 -0.246 -17.640 1.00 0.00 H new ATOM 0 HA ALA A 82 43.807 -0.632 -16.100 1.00 0.00 H new ATOM 0 HB1 ALA A 82 44.028 1.810 -16.468 1.00 0.00 H new ATOM 0 HB2 ALA A 82 43.709 0.961 -17.999 1.00 0.00 H new ATOM 0 HB3 ALA A 82 42.400 1.850 -17.185 1.00 0.00 H new ATOM 1192 N LYS A 83 41.284 -0.295 -14.475 1.00 0.00 N ATOM 1193 CA LYS A 83 40.669 0.069 -13.168 1.00 0.00 C ATOM 1194 C LYS A 83 40.367 -1.177 -12.341 1.00 0.00 C ATOM 1195 O LYS A 83 39.650 -1.118 -11.362 1.00 0.00 O ATOM 1196 CB LYS A 83 39.376 0.848 -13.417 1.00 0.00 C ATOM 1197 CG LYS A 83 38.666 1.106 -12.086 1.00 0.00 C ATOM 1198 CD LYS A 83 38.135 2.541 -12.060 1.00 0.00 C ATOM 1199 CE LYS A 83 39.287 3.506 -11.780 1.00 0.00 C ATOM 1200 NZ LYS A 83 39.622 4.250 -13.026 1.00 0.00 N ATOM 0 H LYS A 83 40.837 -1.066 -14.971 1.00 0.00 H new ATOM 0 HA LYS A 83 41.374 0.686 -12.611 1.00 0.00 H new ATOM 0 HB2 LYS A 83 39.599 1.794 -13.911 1.00 0.00 H new ATOM 0 HB3 LYS A 83 38.724 0.286 -14.085 1.00 0.00 H new ATOM 0 HG2 LYS A 83 37.845 0.401 -11.957 1.00 0.00 H new ATOM 0 HG3 LYS A 83 39.356 0.947 -11.257 1.00 0.00 H new ATOM 0 HD2 LYS A 83 37.667 2.784 -13.014 1.00 0.00 H new ATOM 0 HD3 LYS A 83 37.367 2.642 -11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 83 39.008 4.204 -10.990 1.00 0.00 H new ATOM 0 HE3 LYS A 83 40.159 2.956 -11.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 40.467 3.831 -13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 38.823 4.193 -13.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 39.810 5.246 -12.795 1.00 0.00 H new ATOM 1214 N GLY A 84 40.890 -2.304 -12.708 1.00 0.00 N ATOM 1215 CA GLY A 84 40.596 -3.514 -11.913 1.00 0.00 C ATOM 1216 C GLY A 84 39.201 -3.983 -12.288 1.00 0.00 C ATOM 1217 O GLY A 84 38.260 -3.812 -11.545 1.00 0.00 O ATOM 0 H GLY A 84 41.501 -2.439 -13.514 1.00 0.00 H new ATOM 0 HA2 GLY A 84 41.330 -4.294 -12.117 1.00 0.00 H new ATOM 0 HA3 GLY A 84 40.652 -3.295 -10.847 1.00 0.00 H new ATOM 1221 N TRP A 85 39.094 -4.585 -13.435 1.00 0.00 N ATOM 1222 CA TRP A 85 37.782 -5.120 -13.920 1.00 0.00 C ATOM 1223 C TRP A 85 36.973 -5.638 -12.730 1.00 0.00 C ATOM 1224 O TRP A 85 37.060 -6.788 -12.351 1.00 0.00 O ATOM 1225 CB TRP A 85 38.011 -6.268 -14.912 1.00 0.00 C ATOM 1226 CG TRP A 85 37.903 -5.767 -16.310 1.00 0.00 C ATOM 1227 CD1 TRP A 85 38.907 -5.730 -17.215 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.735 -5.238 -16.974 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.416 -5.202 -18.398 1.00 0.00 N ATOM 1230 CE2 TRP A 85 37.079 -4.886 -18.296 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.425 -5.033 -16.550 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 36.140 -4.343 -19.173 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.475 -4.484 -17.420 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.826 -4.139 -18.732 1.00 0.00 C ATOM 0 H TRP A 85 39.874 -4.735 -14.075 1.00 0.00 H new ATOM 0 HA TRP A 85 37.237 -4.319 -14.420 1.00 0.00 H new ATOM 0 HB2 TRP A 85 38.995 -6.708 -14.750 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.278 -7.057 -14.743 1.00 0.00 H new ATOM 0 HD1 TRP A 85 39.922 -6.057 -17.044 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.975 -5.064 -19.240 1.00 0.00 H new ATOM 0 HE3 TRP A 85 35.139 -5.299 -15.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.423 -4.082 -20.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.463 -4.325 -17.077 1.00 0.00 H new ATOM 0 HH2 TRP A 85 34.088 -3.718 -19.399 1.00 0.00 H new ATOM 1245 N ALA A 86 36.195 -4.778 -12.135 1.00 0.00 N ATOM 1246 CA ALA A 86 35.378 -5.175 -10.960 1.00 0.00 C ATOM 1247 C ALA A 86 34.436 -6.318 -11.341 1.00 0.00 C ATOM 1248 O ALA A 86 33.983 -7.068 -10.499 1.00 0.00 O ATOM 1249 CB ALA A 86 34.555 -3.975 -10.485 1.00 0.00 C ATOM 0 H ALA A 86 36.091 -3.804 -12.419 1.00 0.00 H new ATOM 0 HA ALA A 86 36.039 -5.508 -10.160 1.00 0.00 H new ATOM 0 HB1 ALA A 86 33.954 -4.264 -9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 86 35.225 -3.162 -10.205 1.00 0.00 H new ATOM 0 HB3 ALA A 86 33.899 -3.643 -11.289 1.00 0.00 H new ATOM 1255 N GLY A 87 34.137 -6.457 -12.603 1.00 0.00 N ATOM 1256 CA GLY A 87 33.222 -7.548 -13.034 1.00 0.00 C ATOM 1257 C GLY A 87 32.002 -7.583 -12.113 1.00 0.00 C ATOM 1258 O GLY A 87 31.526 -6.519 -11.752 1.00 0.00 O ATOM 1259 OXT GLY A 87 31.563 -8.673 -11.784 1.00 0.00 O ATOM 0 H GLY A 87 34.487 -5.862 -13.354 1.00 0.00 H new ATOM 0 HA2 GLY A 87 32.908 -7.388 -14.065 1.00 0.00 H new ATOM 0 HA3 GLY A 87 33.741 -8.506 -13.004 1.00 0.00 H new TER 1263 GLY A 87 HETATM 1264 FE HEC A 88 32.388 -9.505 -27.406 1.00 0.00 FE HETATM 1265 CHA HEC A 88 35.222 -10.097 -29.098 1.00 0.00 C HETATM 1266 CHB HEC A 88 33.729 -6.656 -26.171 1.00 0.00 C HETATM 1267 CHC HEC A 88 29.475 -8.833 -25.866 1.00 0.00 C HETATM 1268 CHD HEC A 88 31.282 -12.600 -28.168 1.00 0.00 C HETATM 1269 NA HEC A 88 34.088 -8.573 -27.614 1.00 0.00 N HETATM 1270 C1A HEC A 88 35.139 -8.935 -28.402 1.00 0.00 C HETATM 1271 C2A HEC A 88 36.218 -8.015 -28.313 1.00 0.00 C HETATM 1272 C3A HEC A 88 35.862 -7.080 -27.412 1.00 0.00 C HETATM 1273 C4A HEC A 88 34.512 -7.419 -27.003 1.00 0.00 C HETATM 1274 CMA HEC A 88 36.741 -6.021 -26.837 1.00 0.00 C HETATM 1275 CAA HEC A 88 37.454 -8.068 -29.129 1.00 0.00 C HETATM 1276 CBA HEC A 88 38.726 -8.095 -28.296 1.00 0.00 C HETATM 1277 CGA HEC A 88 38.516 -8.948 -27.043 1.00 0.00 C HETATM 1278 O1A HEC A 88 37.635 -8.598 -26.215 1.00 0.00 O HETATM 1279 O2A HEC A 88 39.244 -9.967 -26.900 1.00 0.00 O HETATM 1280 NB HEC A 88 31.733 -8.050 -26.286 1.00 0.00 N HETATM 1281 C1B HEC A 88 32.422 -6.948 -25.837 1.00 0.00 C HETATM 1282 C2B HEC A 88 31.580 -6.108 -25.022 1.00 0.00 C HETATM 1283 C3B HEC A 88 30.356 -6.684 -25.008 1.00 0.00 C HETATM 1284 C4B HEC A 88 30.476 -7.897 -25.768 1.00 0.00 C HETATM 1285 CMB HEC A 88 32.005 -4.905 -24.248 1.00 0.00 C HETATM 1286 CAB HEC A 88 29.076 -5.970 -24.777 1.00 0.00 C HETATM 1287 CBB HEC A 88 28.897 -4.860 -25.811 1.00 0.00 C HETATM 1288 NC HEC A 88 30.731 -10.489 -27.106 1.00 0.00 N HETATM 1289 C1C HEC A 88 29.595 -10.054 -26.480 1.00 0.00 C HETATM 1290 C2C HEC A 88 28.579 -11.079 -26.455 1.00 0.00 C HETATM 1291 C3C HEC A 88 29.113 -12.162 -27.066 1.00 0.00 C HETATM 1292 C4C HEC A 88 30.440 -11.778 -27.468 1.00 0.00 C HETATM 1293 CMC HEC A 88 27.232 -10.977 -25.826 1.00 0.00 C HETATM 1294 CAC HEC A 88 28.645 -13.572 -26.949 1.00 0.00 C HETATM 1295 CBC HEC A 88 27.352 -13.780 -27.735 1.00 0.00 C HETATM 1296 ND HEC A 88 33.099 -11.013 -28.421 1.00 0.00 N HETATM 1297 C1D HEC A 88 32.531 -12.246 -28.627 1.00 0.00 C HETATM 1298 C2D HEC A 88 33.389 -13.087 -29.440 1.00 0.00 C HETATM 1299 C3D HEC A 88 34.480 -12.341 -29.730 1.00 0.00 C HETATM 1300 C4D HEC A 88 34.285 -11.078 -29.098 1.00 0.00 C HETATM 1301 CMD HEC A 88 33.124 -14.491 -29.861 1.00 0.00 C HETATM 1302 CAD HEC A 88 35.689 -12.736 -30.511 1.00 0.00 C HETATM 1303 CBD HEC A 88 35.478 -12.578 -32.021 1.00 0.00 C HETATM 1304 CGD HEC A 88 36.492 -11.568 -32.542 1.00 0.00 C HETATM 1305 O1D HEC A 88 36.086 -10.406 -32.811 1.00 0.00 O HETATM 1306 O2D HEC A 88 37.687 -11.946 -32.676 1.00 0.00 O HETATM 0 HMD3 HEC A 88 33.016 -15.121 -28.978 1.00 0.00 H new HETATM 0 HMD2 HEC A 88 32.206 -14.528 -30.447 1.00 0.00 H new HETATM 0 HMD1 HEC A 88 33.956 -14.853 -30.466 1.00 0.00 H new HETATM 0 HMC3 HEC A 88 27.342 -10.784 -24.759 1.00 0.00 H new HETATM 0 HMC2 HEC A 88 26.676 -10.161 -26.287 1.00 0.00 H new HETATM 0 HMC1 HEC A 88 26.691 -11.912 -25.971 1.00 0.00 H new HETATM 0 HMB3 HEC A 88 32.761 -5.191 -23.517 1.00 0.00 H new HETATM 0 HMB2 HEC A 88 32.421 -4.162 -24.929 1.00 0.00 H new HETATM 0 HMB1 HEC A 88 31.143 -4.481 -23.732 1.00 0.00 H new HETATM 0 HMA3 HEC A 88 37.578 -6.486 -26.317 1.00 0.00 H new HETATM 0 HMA2 HEC A 88 37.119 -5.387 -27.639 1.00 0.00 H new HETATM 0 HMA1 HEC A 88 36.169 -5.415 -26.134 1.00 0.00 H new HETATM 0 HBD2 HEC A 88 35.604 -13.537 -32.524 1.00 0.00 H new HETATM 0 HBD1 HEC A 88 34.463 -12.239 -32.229 1.00 0.00 H new HETATM 0 HBC3 HEC A 88 26.578 -13.119 -27.344 1.00 0.00 H new HETATM 0 HBC2 HEC A 88 27.525 -13.553 -28.787 1.00 0.00 H new HETATM 0 HBC1 HEC A 88 27.028 -14.816 -27.636 1.00 0.00 H new HETATM 0 HBB3 HEC A 88 29.721 -4.151 -25.730 1.00 0.00 H new HETATM 0 HBB2 HEC A 88 28.888 -5.293 -26.811 1.00 0.00 H new HETATM 0 HBB1 HEC A 88 27.954 -4.344 -25.631 1.00 0.00 H new HETATM 0 HBA2 HEC A 88 39.548 -8.499 -28.887 1.00 0.00 H new HETATM 0 HBA1 HEC A 88 39.006 -7.080 -28.012 1.00 0.00 H new HETATM 0 HAD2 HEC A 88 36.537 -12.127 -30.198 1.00 0.00 H new HETATM 0 HAD1 HEC A 88 35.942 -13.772 -30.287 1.00 0.00 H new HETATM 0 HAA2 HEC A 88 37.425 -8.954 -29.763 1.00 0.00 H new HETATM 0 HAA1 HEC A 88 37.481 -7.203 -29.792 1.00 0.00 H new HETATM 0 HHD HEC A 88 30.937 -13.612 -28.378 1.00 0.00 H new HETATM 0 HHC HEC A 88 28.511 -8.586 -25.421 1.00 0.00 H new HETATM 0 HHB HEC A 88 34.171 -5.756 -25.744 1.00 0.00 H new HETATM 0 HHA HEC A 88 36.113 -10.255 -29.706 1.00 0.00 H new HETATM 0 H2D HEC A 88 38.174 -11.301 -33.230 1.00 0.00 H new HETATM 0 H2A HEC A 88 40.183 -9.719 -27.032 1.00 0.00 H new