USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 861 hydrogens (15 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 106 GSH H32 : A 106 GSH O32 : A 106 GSH C3 :(short bond) USER MOD NoAdj-H: A 106 GSH H12 : A 106 GSH O12 : A 106 GSH C1 :(short bond) USER MOD Set 1.1: A 6 ASN : amide:sc= 2.35 K(o=3,f=2.2) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0.665 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 108:sc= 1.16 USER MOD Single : A 8 LYS NZ :NH3+ -122:sc= -0.62 (180deg=-4.15!) USER MOD Single : A 10 GLN : amide:sc= -0.0432 K(o=-0.043,f=-1.8!) USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= -0.554 (180deg=-1.28) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 17:sc= 0.107! USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 160:sc= -1.31 USER MOD Single : A 29 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.4!) USER MOD Single : A 33 SER OG : rot 47:sc= -3.33! USER MOD Single : A 34 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 38 LYS NZ :NH3+ 145:sc= -2.69! (180deg=-5.19!) USER MOD Single : A 39 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.021) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -26:sc= 0.622 USER MOD Single : A 51 ASN : amide:sc= -4.8! K(o=-4.8!,f=-1) USER MOD Single : A 52 HIS : no HD1:sc= -4.57! C(o=-4.6!,f=-4.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 54 ASN : amide:sc= -0.0283 K(o=-0.028,f=-1.3) USER MOD Single : A 57 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.31) USER MOD Single : A 61 GLN : amide:sc= -8.04! C(o=-8!,f=-18!) USER MOD Single : A 62 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.085) USER MOD Single : A 64 THR OG1 : rot -90:sc= 0.354! USER MOD Single : A 68 THR OG1 : rot 131:sc= -2.61! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -140:sc= 0 USER MOD Single : A 82 SER OG : rot 106:sc= -0.409 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -3.11 K(o=-3.1,f=-7.9!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 79:sc= 1.29 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -163:sc= -0.0302 (180deg=-0.472) USER MOD Single : A 100 GLN : amide:sc= -0.261 K(o=-0.26,f=-2.9!) USER MOD Single : A 105 GLN : amide:sc= -0.507 K(o=-0.51,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.015 46.080 5.289 1.00 18.33 N ATOM 2 CA ALA A 1 17.468 44.698 4.965 1.00 16.52 C ATOM 3 C ALA A 1 16.997 44.323 3.557 1.00 15.03 C ATOM 4 O ALA A 1 17.589 44.713 2.570 1.00 16.00 O ATOM 5 CB ALA A 1 16.875 43.717 5.980 1.00 17.21 C ATOM 0 H1 ALA A 1 17.335 46.335 6.245 1.00 18.33 H new ATOM 0 H2 ALA A 1 17.417 46.748 4.600 1.00 18.33 H new ATOM 0 H3 ALA A 1 15.977 46.124 5.248 1.00 18.33 H new ATOM 0 HA ALA A 1 18.556 44.652 5.008 1.00 16.52 H new ATOM 0 HB1 ALA A 1 17.206 42.705 5.744 1.00 17.21 H new ATOM 0 HB2 ALA A 1 17.210 43.984 6.982 1.00 17.21 H new ATOM 0 HB3 ALA A 1 15.787 43.762 5.937 1.00 17.21 H new ATOM 13 N GLN A 2 15.934 43.571 3.459 1.00 14.70 N ATOM 14 CA GLN A 2 15.417 43.171 2.117 1.00 14.58 C ATOM 15 C GLN A 2 16.533 42.515 1.299 1.00 12.38 C ATOM 16 O GLN A 2 16.827 41.347 1.457 1.00 12.11 O ATOM 17 CB GLN A 2 14.900 44.409 1.379 1.00 17.38 C ATOM 18 CG GLN A 2 13.729 45.014 2.156 1.00 22.60 C ATOM 19 CD GLN A 2 13.271 46.302 1.470 1.00 24.11 C ATOM 20 OE1 GLN A 2 12.742 46.266 0.376 1.00 29.77 O ATOM 21 NE2 GLN A 2 13.452 47.446 2.069 1.00 23.75 N ATOM 0 H GLN A 2 15.400 43.215 4.252 1.00 14.70 H new ATOM 0 HA GLN A 2 14.604 42.457 2.246 1.00 14.58 H new ATOM 0 HB2 GLN A 2 15.699 45.143 1.274 1.00 17.38 H new ATOM 0 HB3 GLN A 2 14.581 44.139 0.372 1.00 17.38 H new ATOM 0 HG2 GLN A 2 12.905 44.302 2.204 1.00 22.60 H new ATOM 0 HG3 GLN A 2 14.030 45.224 3.183 1.00 22.60 H new ATOM 0 HE21 GLN A 2 13.896 47.476 2.987 1.00 23.75 H new ATOM 0 HE22 GLN A 2 13.150 48.310 1.620 1.00 23.75 H new ATOM 30 N GLU A 3 17.150 43.255 0.419 1.00 0.00 N ATOM 31 CA GLU A 3 18.240 42.672 -0.416 1.00 0.00 C ATOM 32 C GLU A 3 19.332 42.096 0.489 1.00 0.00 C ATOM 33 O GLU A 3 20.258 41.457 0.031 1.00 0.00 O ATOM 34 CB GLU A 3 18.839 43.765 -1.305 1.00 0.00 C ATOM 35 CG GLU A 3 19.367 44.907 -0.431 1.00 0.00 C ATOM 36 CD GLU A 3 19.515 46.174 -1.276 1.00 0.00 C ATOM 37 OE1 GLU A 3 20.558 46.337 -1.887 1.00 0.00 O ATOM 38 OE2 GLU A 3 18.581 46.960 -1.297 1.00 0.00 O ATOM 0 H GLU A 3 16.947 44.239 0.242 1.00 0.00 H new ATOM 0 HA GLU A 3 17.832 41.876 -1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 3 19.647 43.353 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.084 44.141 -1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.684 45.089 0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.329 44.632 0.002 1.00 0.00 H new ATOM 45 N PHE A 4 19.234 42.324 1.769 1.00 11.75 N ATOM 46 CA PHE A 4 20.265 41.801 2.707 1.00 10.29 C ATOM 47 C PHE A 4 20.296 40.270 2.668 1.00 10.97 C ATOM 48 O PHE A 4 21.252 39.674 2.219 1.00 7.53 O ATOM 49 CB PHE A 4 19.927 42.265 4.129 1.00 11.72 C ATOM 50 CG PHE A 4 20.800 43.437 4.515 1.00 16.98 C ATOM 51 CD1 PHE A 4 20.962 44.512 3.634 1.00 17.80 C ATOM 52 CD2 PHE A 4 21.446 43.447 5.758 1.00 12.51 C ATOM 53 CE1 PHE A 4 21.770 45.598 3.996 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.253 44.531 6.119 1.00 19.72 C ATOM 55 CZ PHE A 4 22.415 45.607 5.239 1.00 20.03 C ATOM 0 H PHE A 4 18.480 42.853 2.207 1.00 11.75 H new ATOM 0 HA PHE A 4 21.243 42.180 2.409 1.00 10.29 H new ATOM 0 HB2 PHE A 4 18.876 42.550 4.187 1.00 11.72 H new ATOM 0 HB3 PHE A 4 20.074 41.445 4.832 1.00 11.72 H new ATOM 0 HD1 PHE A 4 20.464 44.505 2.675 1.00 17.80 H new ATOM 0 HD2 PHE A 4 21.321 42.617 6.438 1.00 12.51 H new ATOM 0 HE1 PHE A 4 21.895 46.428 3.316 1.00 18.59 H new ATOM 0 HE2 PHE A 4 22.751 44.538 7.077 1.00 19.72 H new ATOM 0 HZ PHE A 4 23.037 46.444 5.518 1.00 20.03 H new ATOM 65 N VAL A 5 19.271 39.633 3.162 1.00 10.96 N ATOM 66 CA VAL A 5 19.255 38.142 3.182 1.00 12.03 C ATOM 67 C VAL A 5 19.025 37.591 1.773 1.00 12.91 C ATOM 68 O VAL A 5 19.626 36.613 1.375 1.00 10.57 O ATOM 69 CB VAL A 5 18.133 37.664 4.109 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.120 38.522 5.375 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.783 37.793 3.396 1.00 9.23 C ATOM 0 H VAL A 5 18.442 40.080 3.553 1.00 10.96 H new ATOM 0 HA VAL A 5 20.217 37.780 3.545 1.00 12.03 H new ATOM 0 HB VAL A 5 18.304 36.621 4.374 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.322 38.183 6.036 1.00 5.33 H new ATOM 0 HG12 VAL A 5 19.078 38.430 5.886 1.00 5.33 H new ATOM 0 HG13 VAL A 5 17.950 39.565 5.106 1.00 5.33 H new ATOM 0 HG21 VAL A 5 15.988 37.452 4.059 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.611 38.836 3.129 1.00 9.23 H new ATOM 0 HG23 VAL A 5 16.789 37.183 2.493 1.00 9.23 H new ATOM 81 N ASN A 6 18.157 38.199 1.018 1.00 13.95 N ATOM 82 CA ASN A 6 17.894 37.695 -0.354 1.00 13.93 C ATOM 83 C ASN A 6 19.209 37.620 -1.131 1.00 14.98 C ATOM 84 O ASN A 6 19.376 36.796 -2.008 1.00 13.88 O ATOM 85 CB ASN A 6 16.933 38.647 -1.061 1.00 19.23 C ATOM 86 CG ASN A 6 15.538 38.505 -0.451 1.00 22.04 C ATOM 87 OD1 ASN A 6 14.878 37.503 -0.642 1.00 28.33 O ATOM 88 ND2 ASN A 6 15.059 39.474 0.280 1.00 26.59 N ATOM 0 H ASN A 6 17.619 39.022 1.291 1.00 13.95 H new ATOM 0 HA ASN A 6 17.451 36.701 -0.302 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.283 39.675 -0.962 1.00 19.23 H new ATOM 0 HB3 ASN A 6 16.900 38.423 -2.127 1.00 19.23 H new ATOM 0 HD21 ASN A 6 14.130 39.391 0.692 1.00 26.59 H new ATOM 0 HD22 ASN A 6 15.614 40.315 0.440 1.00 26.59 H new ATOM 95 N SER A 7 20.145 38.476 -0.820 1.00 0.00 N ATOM 96 CA SER A 7 21.446 38.453 -1.546 1.00 0.00 C ATOM 97 C SER A 7 22.296 37.271 -1.070 1.00 0.00 C ATOM 98 O SER A 7 23.240 36.875 -1.725 1.00 0.00 O ATOM 99 CB SER A 7 22.199 39.756 -1.274 1.00 0.00 C ATOM 100 OG SER A 7 21.556 40.820 -1.962 1.00 0.00 O ATOM 0 H SER A 7 20.064 39.189 -0.095 1.00 0.00 H new ATOM 0 HA SER A 7 21.255 38.348 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.221 39.960 -0.204 1.00 0.00 H new ATOM 0 HB3 SER A 7 23.234 39.667 -1.603 1.00 0.00 H new ATOM 0 HG SER A 7 21.087 41.390 -1.318 1.00 0.00 H new ATOM 106 N LYS A 8 21.988 36.717 0.073 1.00 13.50 N ATOM 107 CA LYS A 8 22.802 35.577 0.593 1.00 11.83 C ATOM 108 C LYS A 8 22.137 34.231 0.278 1.00 12.94 C ATOM 109 O LYS A 8 22.794 33.287 -0.113 1.00 11.22 O ATOM 110 CB LYS A 8 22.952 35.713 2.109 1.00 13.35 C ATOM 111 CG LYS A 8 23.294 37.160 2.469 1.00 9.72 C ATOM 112 CD LYS A 8 23.822 37.211 3.906 1.00 17.72 C ATOM 113 CE LYS A 8 24.128 38.660 4.303 1.00 15.70 C ATOM 114 NZ LYS A 8 25.285 38.680 5.242 1.00 22.87 N ATOM 0 H LYS A 8 21.211 37.003 0.668 1.00 13.50 H new ATOM 0 HA LYS A 8 23.778 35.605 0.108 1.00 11.83 H new ATOM 0 HB2 LYS A 8 22.027 35.415 2.603 1.00 13.35 H new ATOM 0 HB3 LYS A 8 23.735 35.045 2.467 1.00 13.35 H new ATOM 0 HG2 LYS A 8 24.042 37.551 1.780 1.00 9.72 H new ATOM 0 HG3 LYS A 8 22.410 37.790 2.371 1.00 9.72 H new ATOM 0 HD2 LYS A 8 23.085 36.787 4.588 1.00 17.72 H new ATOM 0 HD3 LYS A 8 24.723 36.604 3.993 1.00 17.72 H new ATOM 0 HE2 LYS A 8 24.354 39.252 3.416 1.00 15.70 H new ATOM 0 HE3 LYS A 8 23.255 39.112 4.774 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 25.001 39.136 6.133 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 25.593 37.705 5.435 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 26.070 39.213 4.815 1.00 22.87 H new ATOM 128 N ILE A 9 20.850 34.117 0.470 1.00 11.05 N ATOM 129 CA ILE A 9 20.175 32.811 0.207 1.00 13.61 C ATOM 130 C ILE A 9 19.955 32.612 -1.293 1.00 12.23 C ATOM 131 O ILE A 9 19.415 33.458 -1.977 1.00 12.72 O ATOM 132 CB ILE A 9 18.826 32.776 0.924 1.00 14.29 C ATOM 133 CG1 ILE A 9 17.980 33.948 0.433 1.00 20.74 C ATOM 134 CG2 ILE A 9 19.050 32.877 2.436 1.00 15.26 C ATOM 135 CD1 ILE A 9 16.935 34.328 1.488 1.00 25.19 C ATOM 0 H ILE A 9 20.239 34.866 0.796 1.00 11.05 H new ATOM 0 HA ILE A 9 20.813 32.010 0.580 1.00 13.61 H new ATOM 0 HB ILE A 9 18.308 31.841 0.710 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.621 34.804 0.221 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.484 33.682 -0.500 1.00 20.74 H new ATOM 0 HG21 ILE A 9 18.088 32.852 2.949 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.661 32.039 2.770 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.560 33.812 2.667 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.339 35.165 1.125 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.284 33.475 1.679 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.438 34.615 2.412 1.00 25.19 H new ATOM 147 N GLN A 10 20.362 31.479 -1.797 1.00 11.13 N ATOM 148 CA GLN A 10 20.180 31.175 -3.242 1.00 10.86 C ATOM 149 C GLN A 10 19.999 29.653 -3.393 1.00 10.00 C ATOM 150 O GLN A 10 20.394 28.908 -2.521 1.00 10.42 O ATOM 151 CB GLN A 10 21.412 31.672 -4.030 1.00 14.27 C ATOM 152 CG GLN A 10 22.302 30.496 -4.459 1.00 22.05 C ATOM 153 CD GLN A 10 23.608 31.033 -5.051 1.00 30.84 C ATOM 154 OE1 GLN A 10 23.941 32.188 -4.873 1.00 32.99 O ATOM 155 NE2 GLN A 10 24.366 30.236 -5.753 1.00 34.61 N ATOM 0 H GLN A 10 20.819 30.742 -1.260 1.00 11.13 H new ATOM 0 HA GLN A 10 19.301 31.681 -3.640 1.00 10.86 H new ATOM 0 HB2 GLN A 10 21.086 32.226 -4.910 1.00 14.27 H new ATOM 0 HB3 GLN A 10 21.988 32.363 -3.414 1.00 14.27 H new ATOM 0 HG2 GLN A 10 22.515 29.856 -3.603 1.00 22.05 H new ATOM 0 HG3 GLN A 10 21.782 29.882 -5.195 1.00 22.05 H new ATOM 0 HE21 GLN A 10 24.086 29.267 -5.902 1.00 34.61 H new ATOM 0 HE22 GLN A 10 25.238 30.582 -6.152 1.00 34.61 H new ATOM 164 N PRO A 11 19.405 29.228 -4.484 1.00 6.53 N ATOM 165 CA PRO A 11 19.172 27.793 -4.726 1.00 7.75 C ATOM 166 C PRO A 11 20.488 27.008 -4.683 1.00 6.33 C ATOM 167 O PRO A 11 21.444 27.329 -5.362 1.00 9.49 O ATOM 168 CB PRO A 11 18.537 27.724 -6.124 1.00 8.32 C ATOM 169 CG PRO A 11 18.333 29.179 -6.616 1.00 7.94 C ATOM 170 CD PRO A 11 18.918 30.121 -5.552 1.00 11.72 C ATOM 0 HA PRO A 11 18.531 27.350 -3.964 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.181 27.174 -6.811 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.585 27.195 -6.087 1.00 8.32 H new ATOM 0 HG2 PRO A 11 18.829 29.331 -7.575 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.274 29.386 -6.768 1.00 7.94 H new ATOM 0 HD2 PRO A 11 19.727 30.726 -5.961 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.163 30.811 -5.177 1.00 11.72 H new ATOM 178 N GLY A 12 20.527 25.968 -3.900 1.00 5.64 N ATOM 179 CA GLY A 12 21.757 25.135 -3.813 1.00 8.39 C ATOM 180 C GLY A 12 22.781 25.776 -2.872 1.00 7.67 C ATOM 181 O GLY A 12 23.971 25.585 -3.022 1.00 10.24 O ATOM 0 H GLY A 12 19.754 25.657 -3.312 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.502 24.138 -3.455 1.00 8.39 H new ATOM 0 HA3 GLY A 12 22.192 25.016 -4.805 1.00 8.39 H new ATOM 185 N LYS A 13 22.338 26.531 -1.901 1.00 9.66 N ATOM 186 CA LYS A 13 23.304 27.170 -0.959 1.00 10.29 C ATOM 187 C LYS A 13 22.720 27.187 0.455 1.00 10.20 C ATOM 188 O LYS A 13 21.561 27.493 0.654 1.00 6.89 O ATOM 189 CB LYS A 13 23.579 28.604 -1.410 1.00 9.77 C ATOM 190 CG LYS A 13 24.522 29.279 -0.411 1.00 10.63 C ATOM 191 CD LYS A 13 25.059 30.579 -1.012 1.00 12.04 C ATOM 192 CE LYS A 13 26.168 31.136 -0.116 1.00 19.12 C ATOM 193 NZ LYS A 13 25.787 30.961 1.314 1.00 25.36 N ATOM 0 H LYS A 13 21.355 26.732 -1.720 1.00 9.66 H new ATOM 0 HA LYS A 13 24.233 26.599 -0.957 1.00 10.29 H new ATOM 0 HB2 LYS A 13 24.024 28.605 -2.405 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.645 29.161 -1.478 1.00 9.77 H new ATOM 0 HG2 LYS A 13 23.994 29.487 0.520 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.348 28.611 -0.166 1.00 10.63 H new ATOM 0 HD2 LYS A 13 25.445 30.396 -2.015 1.00 12.04 H new ATOM 0 HD3 LYS A 13 24.254 31.308 -1.108 1.00 12.04 H new ATOM 0 HE2 LYS A 13 27.107 30.621 -0.319 1.00 19.12 H new ATOM 0 HE3 LYS A 13 26.330 32.192 -0.334 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 26.365 31.591 1.907 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 24.781 31.197 1.437 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 25.948 29.974 1.598 1.00 25.36 H new ATOM 207 N VAL A 14 23.519 26.868 1.440 1.00 10.89 N ATOM 208 CA VAL A 14 23.021 26.872 2.842 1.00 9.99 C ATOM 209 C VAL A 14 23.538 28.119 3.561 1.00 5.01 C ATOM 210 O VAL A 14 24.700 28.461 3.473 1.00 6.68 O ATOM 211 CB VAL A 14 23.521 25.624 3.567 1.00 7.84 C ATOM 212 CG1 VAL A 14 22.999 25.629 5.003 1.00 9.33 C ATOM 213 CG2 VAL A 14 23.006 24.379 2.843 1.00 5.86 C ATOM 0 H VAL A 14 24.498 26.604 1.330 1.00 10.89 H new ATOM 0 HA VAL A 14 21.931 26.877 2.839 1.00 9.99 H new ATOM 0 HB VAL A 14 24.611 25.617 3.576 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.355 24.739 5.522 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.360 26.519 5.518 1.00 9.33 H new ATOM 0 HG13 VAL A 14 21.909 25.633 4.994 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.361 23.486 3.358 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.916 24.386 2.838 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.374 24.377 1.817 1.00 5.86 H new ATOM 223 N VAL A 15 22.685 28.797 4.279 1.00 3.11 N ATOM 224 CA VAL A 15 23.126 30.018 5.011 1.00 10.10 C ATOM 225 C VAL A 15 22.407 30.059 6.361 1.00 9.35 C ATOM 226 O VAL A 15 21.259 29.676 6.471 1.00 11.00 O ATOM 227 CB VAL A 15 22.792 31.269 4.171 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.678 32.091 4.831 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.041 32.144 4.032 1.00 10.96 C ATOM 0 H VAL A 15 21.700 28.558 4.390 1.00 3.11 H new ATOM 0 HA VAL A 15 24.203 29.998 5.179 1.00 10.10 H new ATOM 0 HB VAL A 15 22.452 30.939 3.189 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.461 32.967 4.220 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.780 31.480 4.921 1.00 15.82 H new ATOM 0 HG13 VAL A 15 22.000 32.411 5.822 1.00 15.82 H new ATOM 0 HG21 VAL A 15 23.803 33.027 3.438 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.381 32.452 5.021 1.00 10.96 H new ATOM 0 HG23 VAL A 15 24.830 31.577 3.538 1.00 10.96 H new ATOM 239 N VAL A 16 23.077 30.504 7.389 1.00 8.87 N ATOM 240 CA VAL A 16 22.440 30.549 8.732 1.00 5.41 C ATOM 241 C VAL A 16 22.551 31.948 9.337 1.00 6.62 C ATOM 242 O VAL A 16 23.631 32.468 9.529 1.00 8.94 O ATOM 243 CB VAL A 16 23.149 29.564 9.656 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.385 29.471 10.976 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.200 28.186 8.997 1.00 5.31 C ATOM 0 H VAL A 16 24.040 30.839 7.355 1.00 8.87 H new ATOM 0 HA VAL A 16 21.387 30.288 8.625 1.00 5.41 H new ATOM 0 HB VAL A 16 24.165 29.910 9.845 1.00 7.47 H new ATOM 0 HG11 VAL A 16 22.889 28.768 11.639 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.351 30.453 11.447 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.369 29.125 10.785 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.707 27.484 9.659 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.185 27.836 8.806 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.744 28.253 8.055 1.00 5.31 H new ATOM 255 N PHE A 17 21.441 32.544 9.673 1.00 5.51 N ATOM 256 CA PHE A 17 21.482 33.888 10.304 1.00 5.80 C ATOM 257 C PHE A 17 21.570 33.683 11.816 1.00 7.23 C ATOM 258 O PHE A 17 20.752 33.004 12.405 1.00 5.39 O ATOM 259 CB PHE A 17 20.214 34.657 9.936 1.00 5.73 C ATOM 260 CG PHE A 17 20.251 34.970 8.460 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.826 34.012 7.532 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.728 36.209 8.018 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.874 34.295 6.162 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.779 36.492 6.648 1.00 5.88 C ATOM 265 CZ PHE A 17 20.352 35.534 5.720 1.00 5.73 C ATOM 0 H PHE A 17 20.507 32.156 9.537 1.00 5.51 H new ATOM 0 HA PHE A 17 22.340 34.463 9.957 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.330 34.065 10.175 1.00 5.73 H new ATOM 0 HB3 PHE A 17 20.148 35.577 10.516 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.461 33.054 7.873 1.00 8.16 H new ATOM 0 HD2 PHE A 17 21.057 36.947 8.734 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.542 33.557 5.446 1.00 9.93 H new ATOM 0 HE2 PHE A 17 21.147 37.448 6.307 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.392 35.751 4.663 1.00 5.73 H new ATOM 275 N ILE A 18 22.584 34.219 12.444 1.00 8.64 N ATOM 276 CA ILE A 18 22.750 34.004 13.912 1.00 6.83 C ATOM 277 C ILE A 18 23.029 35.319 14.635 1.00 10.62 C ATOM 278 O ILE A 18 23.020 36.387 14.058 1.00 6.74 O ATOM 279 CB ILE A 18 23.939 33.060 14.135 1.00 6.39 C ATOM 280 CG1 ILE A 18 25.194 33.646 13.475 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.639 31.690 13.512 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.422 32.847 13.917 1.00 8.36 C ATOM 0 H ILE A 18 23.303 34.795 12.005 1.00 8.64 H new ATOM 0 HA ILE A 18 21.828 33.579 14.309 1.00 6.83 H new ATOM 0 HB ILE A 18 24.105 32.946 15.206 1.00 6.39 H new ATOM 0 HG12 ILE A 18 25.097 33.613 12.390 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.309 34.694 13.753 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.486 31.024 13.673 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.750 31.265 13.978 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.468 31.807 12.442 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.314 33.262 13.449 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.522 32.903 15.001 1.00 8.36 H new ATOM 0 HD13 ILE A 18 26.306 31.806 13.617 1.00 8.36 H new ATOM 294 N LYS A 19 23.299 35.219 15.903 1.00 12.12 N ATOM 295 CA LYS A 19 23.617 36.413 16.728 1.00 15.62 C ATOM 296 C LYS A 19 24.650 35.963 17.770 1.00 16.36 C ATOM 297 O LYS A 19 24.281 35.423 18.791 1.00 13.35 O ATOM 298 CB LYS A 19 22.347 36.907 17.445 1.00 18.25 C ATOM 299 CG LYS A 19 21.563 37.874 16.538 1.00 25.24 C ATOM 300 CD LYS A 19 20.779 38.877 17.393 1.00 30.64 C ATOM 301 CE LYS A 19 19.649 38.158 18.131 1.00 31.75 C ATOM 302 NZ LYS A 19 18.980 39.111 19.061 1.00 38.73 N ATOM 0 H LYS A 19 23.313 34.337 16.415 1.00 12.12 H new ATOM 0 HA LYS A 19 24.000 37.226 16.111 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.718 36.058 17.712 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.617 37.408 18.374 1.00 18.25 H new ATOM 0 HG2 LYS A 19 22.250 38.405 15.879 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.879 37.314 15.901 1.00 25.24 H new ATOM 0 HD2 LYS A 19 21.446 39.357 18.109 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.369 39.665 16.761 1.00 30.64 H new ATOM 0 HE2 LYS A 19 18.927 37.763 17.417 1.00 31.75 H new ATOM 0 HE3 LYS A 19 20.046 37.308 18.687 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 18.211 38.623 19.564 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 19.673 39.468 19.750 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 18.589 39.908 18.519 1.00 38.73 H new ATOM 316 N PRO A 20 25.918 36.155 17.473 1.00 17.46 N ATOM 317 CA PRO A 20 26.996 35.723 18.379 1.00 20.12 C ATOM 318 C PRO A 20 26.698 36.138 19.820 1.00 24.12 C ATOM 319 O PRO A 20 27.188 37.134 20.311 1.00 24.58 O ATOM 320 CB PRO A 20 28.261 36.393 17.828 1.00 20.63 C ATOM 321 CG PRO A 20 27.909 36.961 16.430 1.00 18.08 C ATOM 322 CD PRO A 20 26.385 36.829 16.244 1.00 17.14 C ATOM 0 HA PRO A 20 27.106 34.639 18.413 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.595 37.189 18.493 1.00 20.63 H new ATOM 0 HB3 PRO A 20 29.077 35.674 17.756 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.215 38.004 16.352 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.439 36.414 15.650 1.00 18.08 H new ATOM 0 HD2 PRO A 20 25.914 37.805 16.123 1.00 17.14 H new ATOM 0 HD3 PRO A 20 26.143 36.246 15.355 1.00 17.14 H new ATOM 330 N THR A 21 25.899 35.358 20.495 1.00 24.78 N ATOM 331 CA THR A 21 25.546 35.659 21.909 1.00 27.36 C ATOM 332 C THR A 21 24.580 34.581 22.406 1.00 24.99 C ATOM 333 O THR A 21 24.582 34.219 23.566 1.00 26.49 O ATOM 334 CB THR A 21 24.868 37.033 22.001 1.00 28.64 C ATOM 335 OG1 THR A 21 25.834 38.056 21.801 1.00 30.99 O ATOM 336 CG2 THR A 21 24.230 37.208 23.381 1.00 34.82 C ATOM 0 H THR A 21 25.470 34.512 20.120 1.00 24.78 H new ATOM 0 HA THR A 21 26.449 35.671 22.520 1.00 27.36 H new ATOM 0 HB THR A 21 24.097 37.100 21.234 1.00 28.64 H new ATOM 0 HG1 THR A 21 26.636 37.672 21.390 1.00 30.99 H new ATOM 0 HG21 THR A 21 23.751 38.185 23.439 1.00 34.82 H new ATOM 0 HG22 THR A 21 23.485 36.428 23.539 1.00 34.82 H new ATOM 0 HG23 THR A 21 25.000 37.135 24.150 1.00 34.82 H new ATOM 344 N CYS A 22 23.751 34.069 21.534 1.00 21.46 N ATOM 345 CA CYS A 22 22.780 33.017 21.952 1.00 17.23 C ATOM 346 C CYS A 22 23.323 31.626 21.568 1.00 14.71 C ATOM 347 O CYS A 22 23.585 31.380 20.407 1.00 13.71 O ATOM 348 CB CYS A 22 21.443 33.268 21.247 1.00 15.71 C ATOM 349 SG CYS A 22 20.094 32.967 22.417 1.00 9.78 S ATOM 0 H CYS A 22 23.705 34.335 20.550 1.00 21.46 H new ATOM 0 HA CYS A 22 22.637 33.053 23.032 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.399 34.292 20.877 1.00 15.71 H new ATOM 0 HB3 CYS A 22 21.345 32.612 20.382 1.00 15.71 H new ATOM 354 N PRO A 23 23.483 30.749 22.541 1.00 13.86 N ATOM 355 CA PRO A 23 23.999 29.390 22.284 1.00 13.47 C ATOM 356 C PRO A 23 23.097 28.612 21.316 1.00 8.59 C ATOM 357 O PRO A 23 23.510 27.625 20.741 1.00 10.79 O ATOM 358 CB PRO A 23 24.030 28.706 23.651 1.00 11.94 C ATOM 359 CG PRO A 23 23.614 29.752 24.706 1.00 7.24 C ATOM 360 CD PRO A 23 23.180 31.026 23.960 1.00 12.58 C ATOM 0 HA PRO A 23 24.982 29.426 21.815 1.00 13.47 H new ATOM 0 HB2 PRO A 23 23.351 27.854 23.668 1.00 11.94 H new ATOM 0 HB3 PRO A 23 25.028 28.323 23.865 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.797 29.372 25.320 1.00 7.24 H new ATOM 0 HG3 PRO A 23 24.444 29.967 25.379 1.00 7.24 H new ATOM 0 HD2 PRO A 23 22.119 31.229 24.106 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.724 31.900 24.318 1.00 12.58 H new ATOM 368 N TYR A 24 21.877 29.035 21.117 1.00 0.00 N ATOM 369 CA TYR A 24 20.997 28.288 20.173 1.00 0.00 C ATOM 370 C TYR A 24 21.535 28.484 18.761 1.00 0.00 C ATOM 371 O TYR A 24 21.627 27.553 17.985 1.00 0.00 O ATOM 372 CB TYR A 24 19.558 28.806 20.263 1.00 0.00 C ATOM 373 CG TYR A 24 18.843 28.100 21.390 1.00 0.00 C ATOM 374 CD1 TYR A 24 18.968 28.561 22.705 1.00 0.00 C ATOM 375 CD2 TYR A 24 18.061 26.971 21.113 1.00 0.00 C ATOM 376 CE1 TYR A 24 18.311 27.892 23.746 1.00 0.00 C ATOM 377 CE2 TYR A 24 17.403 26.305 22.152 1.00 0.00 C ATOM 378 CZ TYR A 24 17.528 26.764 23.469 1.00 0.00 C ATOM 379 OH TYR A 24 16.883 26.103 24.495 1.00 0.00 O ATOM 0 H TYR A 24 21.457 29.852 21.560 1.00 0.00 H new ATOM 0 HA TYR A 24 20.993 27.229 20.430 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.557 29.882 20.434 1.00 0.00 H new ATOM 0 HB3 TYR A 24 19.037 28.632 19.321 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.570 29.432 22.917 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.966 26.615 20.098 1.00 0.00 H new ATOM 0 HE1 TYR A 24 18.408 28.246 24.762 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.798 25.436 21.938 1.00 0.00 H new ATOM 0 HH TYR A 24 16.382 25.343 24.131 1.00 0.00 H new ATOM 389 N SER A 25 21.923 29.682 18.434 1.00 0.00 N ATOM 390 CA SER A 25 22.491 29.928 17.085 1.00 0.00 C ATOM 391 C SER A 25 23.820 29.175 16.996 1.00 0.00 C ATOM 392 O SER A 25 24.167 28.614 15.975 1.00 0.00 O ATOM 393 CB SER A 25 22.724 31.428 16.896 1.00 0.00 C ATOM 394 OG SER A 25 21.902 32.146 17.804 1.00 0.00 O ATOM 0 H SER A 25 21.871 30.500 19.042 1.00 0.00 H new ATOM 0 HA SER A 25 21.809 29.583 16.308 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.773 31.670 17.067 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.493 31.718 15.871 1.00 0.00 H new ATOM 0 HG SER A 25 22.259 33.051 17.923 1.00 0.00 H new ATOM 400 N ARG A 26 24.549 29.138 18.080 1.00 16.21 N ATOM 401 CA ARG A 26 25.843 28.399 18.095 1.00 15.67 C ATOM 402 C ARG A 26 25.545 26.929 17.801 1.00 13.70 C ATOM 403 O ARG A 26 26.261 26.265 17.079 1.00 12.41 O ATOM 404 CB ARG A 26 26.477 28.545 19.487 1.00 22.04 C ATOM 405 CG ARG A 26 27.812 27.792 19.563 1.00 31.64 C ATOM 406 CD ARG A 26 28.923 28.607 18.888 1.00 43.08 C ATOM 407 NE ARG A 26 29.809 27.692 18.116 1.00 52.93 N ATOM 408 CZ ARG A 26 30.624 28.175 17.220 1.00 57.80 C ATOM 409 NH1 ARG A 26 30.658 29.459 16.989 1.00 58.61 N ATOM 410 NH2 ARG A 26 31.403 27.371 16.551 1.00 59.59 N ATOM 0 H ARG A 26 24.301 29.591 18.960 1.00 16.21 H new ATOM 0 HA ARG A 26 26.533 28.792 17.349 1.00 15.67 H new ATOM 0 HB2 ARG A 26 26.637 29.600 19.709 1.00 22.04 H new ATOM 0 HB3 ARG A 26 25.794 28.160 20.244 1.00 22.04 H new ATOM 0 HG2 ARG A 26 28.072 27.603 20.605 1.00 31.64 H new ATOM 0 HG3 ARG A 26 27.718 26.821 19.077 1.00 31.64 H new ATOM 0 HD2 ARG A 26 28.489 29.355 18.225 1.00 43.08 H new ATOM 0 HD3 ARG A 26 29.502 29.144 19.639 1.00 43.08 H new ATOM 0 HE ARG A 26 29.778 26.687 18.288 1.00 52.93 H new ATOM 0 HH11 ARG A 26 30.046 30.087 17.510 1.00 58.61 H new ATOM 0 HH12 ARG A 26 31.296 29.834 16.288 1.00 58.61 H new ATOM 0 HH21 ARG A 26 31.374 26.367 16.729 1.00 59.59 H new ATOM 0 HH22 ARG A 26 32.041 27.746 15.850 1.00 59.59 H new ATOM 424 N ARG A 27 24.471 26.426 18.346 1.00 0.00 N ATOM 425 CA ARG A 27 24.092 25.009 18.094 1.00 0.00 C ATOM 426 C ARG A 27 24.030 24.775 16.582 1.00 0.00 C ATOM 427 O ARG A 27 24.561 23.810 16.069 1.00 0.00 O ATOM 428 CB ARG A 27 22.710 24.747 18.714 1.00 0.00 C ATOM 429 CG ARG A 27 22.813 23.678 19.809 1.00 0.00 C ATOM 430 CD ARG A 27 21.518 23.646 20.634 1.00 0.00 C ATOM 431 NE ARG A 27 21.840 23.426 22.078 1.00 0.00 N ATOM 432 CZ ARG A 27 22.739 22.547 22.440 1.00 0.00 C ATOM 433 NH1 ARG A 27 23.301 21.769 21.556 1.00 0.00 N ATOM 434 NH2 ARG A 27 23.058 22.427 23.700 1.00 0.00 N ATOM 0 H ARG A 27 23.837 26.940 18.958 1.00 0.00 H new ATOM 0 HA ARG A 27 24.825 24.336 18.538 1.00 0.00 H new ATOM 0 HB2 ARG A 27 22.311 25.670 19.134 1.00 0.00 H new ATOM 0 HB3 ARG A 27 22.013 24.421 17.942 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.992 22.701 19.360 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.662 23.891 20.458 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.976 24.584 20.512 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.866 22.851 20.273 1.00 0.00 H new ATOM 0 HE ARG A 27 21.352 23.969 22.790 1.00 0.00 H new ATOM 0 HH11 ARG A 27 23.041 21.843 20.573 1.00 0.00 H new ATOM 0 HH12 ARG A 27 24.001 21.087 21.848 1.00 0.00 H new ATOM 0 HH21 ARG A 27 22.607 23.017 24.399 1.00 0.00 H new ATOM 0 HH22 ARG A 27 23.758 21.743 23.986 1.00 0.00 H new ATOM 448 N ALA A 28 23.385 25.657 15.867 1.00 0.00 N ATOM 449 CA ALA A 28 23.290 25.491 14.392 1.00 0.00 C ATOM 450 C ALA A 28 24.701 25.455 13.807 1.00 0.00 C ATOM 451 O ALA A 28 24.980 24.736 12.870 1.00 0.00 O ATOM 452 CB ALA A 28 22.517 26.667 13.790 1.00 0.00 C ATOM 0 H ALA A 28 22.921 26.484 16.242 1.00 0.00 H new ATOM 0 HA ALA A 28 22.767 24.563 14.159 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.449 26.543 12.709 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.514 26.699 14.215 1.00 0.00 H new ATOM 0 HB3 ALA A 28 23.037 27.598 14.016 1.00 0.00 H new ATOM 458 N GLN A 29 25.594 26.227 14.358 1.00 19.83 N ATOM 459 CA GLN A 29 26.988 26.243 13.842 1.00 20.83 C ATOM 460 C GLN A 29 27.685 24.926 14.194 1.00 20.95 C ATOM 461 O GLN A 29 28.390 24.347 13.393 1.00 22.85 O ATOM 462 CB GLN A 29 27.752 27.406 14.484 1.00 21.33 C ATOM 463 CG GLN A 29 27.177 28.746 14.003 1.00 34.02 C ATOM 464 CD GLN A 29 28.291 29.795 13.951 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.203 30.827 14.586 1.00 42.72 O ATOM 466 NE2 GLN A 29 29.342 29.571 13.212 1.00 45.49 N ATOM 0 H GLN A 29 25.417 26.850 15.146 1.00 19.83 H new ATOM 0 HA GLN A 29 26.971 26.365 12.759 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.683 27.341 15.570 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.809 27.342 14.227 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.729 28.628 13.016 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.385 29.075 14.675 1.00 34.02 H new ATOM 0 HE21 GLN A 29 29.415 28.704 12.679 1.00 45.49 H new ATOM 0 HE22 GLN A 29 30.091 30.262 13.167 1.00 45.49 H new ATOM 475 N GLU A 30 27.505 24.465 15.398 1.00 22.87 N ATOM 476 CA GLU A 30 28.164 23.201 15.834 1.00 23.32 C ATOM 477 C GLU A 30 27.552 21.986 15.121 1.00 22.32 C ATOM 478 O GLU A 30 28.234 21.020 14.841 1.00 25.42 O ATOM 479 CB GLU A 30 27.988 23.048 17.347 1.00 24.18 C ATOM 480 CG GLU A 30 28.645 24.233 18.061 1.00 32.27 C ATOM 481 CD GLU A 30 30.166 24.095 17.986 1.00 34.97 C ATOM 482 OE1 GLU A 30 30.683 23.152 18.562 1.00 32.92 O ATOM 483 OE2 GLU A 30 30.788 24.934 17.355 1.00 34.69 O ATOM 0 H GLU A 30 26.924 24.913 16.107 1.00 22.87 H new ATOM 0 HA GLU A 30 29.222 23.249 15.577 1.00 23.32 H new ATOM 0 HB2 GLU A 30 26.928 23.001 17.597 1.00 24.18 H new ATOM 0 HB3 GLU A 30 28.437 22.113 17.683 1.00 24.18 H new ATOM 0 HG2 GLU A 30 28.331 25.169 17.599 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.323 24.268 19.102 1.00 32.27 H new ATOM 490 N ILE A 31 26.276 22.007 14.840 1.00 0.00 N ATOM 491 CA ILE A 31 25.648 20.829 14.164 1.00 0.00 C ATOM 492 C ILE A 31 25.945 20.859 12.657 1.00 0.00 C ATOM 493 O ILE A 31 26.482 19.917 12.111 1.00 0.00 O ATOM 494 CB ILE A 31 24.131 20.834 14.424 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.527 19.455 14.085 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.450 21.928 13.601 1.00 0.00 C ATOM 497 CD1 ILE A 31 23.659 19.140 12.588 1.00 0.00 C ATOM 0 H ILE A 31 25.644 22.781 15.046 1.00 0.00 H new ATOM 0 HA ILE A 31 26.070 19.911 14.572 1.00 0.00 H new ATOM 0 HB ILE A 31 23.961 21.041 15.481 1.00 0.00 H new ATOM 0 HG12 ILE A 31 24.030 18.683 14.667 1.00 0.00 H new ATOM 0 HG13 ILE A 31 22.475 19.436 14.371 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.378 21.917 13.797 1.00 0.00 H new ATOM 0 HG22 ILE A 31 23.860 22.900 13.878 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.626 21.749 12.540 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.224 18.162 12.382 1.00 0.00 H new ATOM 0 HD12 ILE A 31 23.134 19.900 12.009 1.00 0.00 H new ATOM 0 HD13 ILE A 31 24.713 19.134 12.309 1.00 0.00 H new ATOM 509 N LEU A 32 25.608 21.921 11.975 1.00 16.72 N ATOM 510 CA LEU A 32 25.882 21.975 10.514 1.00 15.05 C ATOM 511 C LEU A 32 27.382 21.818 10.265 1.00 15.55 C ATOM 512 O LEU A 32 27.802 21.392 9.208 1.00 17.28 O ATOM 513 CB LEU A 32 25.389 23.315 9.954 1.00 12.57 C ATOM 514 CG LEU A 32 23.939 23.174 9.458 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.194 24.493 9.663 1.00 10.68 C ATOM 516 CD2 LEU A 32 23.937 22.825 7.964 1.00 12.45 C ATOM 0 H LEU A 32 25.157 22.748 12.366 1.00 16.72 H new ATOM 0 HA LEU A 32 25.356 21.163 10.012 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.446 24.084 10.724 1.00 12.57 H new ATOM 0 HB3 LEU A 32 26.033 23.636 9.135 1.00 12.57 H new ATOM 0 HG LEU A 32 23.445 22.382 10.021 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.168 24.390 9.311 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.190 24.748 10.723 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.692 25.283 9.102 1.00 10.68 H new ATOM 0 HD21 LEU A 32 22.909 22.726 7.615 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.435 23.617 7.405 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.465 21.884 7.809 1.00 12.45 H new ATOM 528 N SER A 33 28.193 22.144 11.230 1.00 16.31 N ATOM 529 CA SER A 33 29.658 21.992 11.035 1.00 18.98 C ATOM 530 C SER A 33 29.965 20.507 10.845 1.00 18.49 C ATOM 531 O SER A 33 30.976 20.134 10.284 1.00 21.34 O ATOM 532 CB SER A 33 30.399 22.526 12.264 1.00 19.20 C ATOM 533 OG SER A 33 29.602 22.315 13.422 1.00 24.11 O ATOM 0 H SER A 33 27.907 22.507 12.139 1.00 16.31 H new ATOM 0 HA SER A 33 29.984 22.555 10.160 1.00 18.98 H new ATOM 0 HB2 SER A 33 31.359 22.021 12.372 1.00 19.20 H new ATOM 0 HB3 SER A 33 30.610 23.588 12.142 1.00 19.20 H new ATOM 0 HG SER A 33 29.257 21.398 13.419 1.00 24.11 H new ATOM 539 N GLN A 34 29.089 19.657 11.311 1.00 20.00 N ATOM 540 CA GLN A 34 29.309 18.193 11.166 1.00 24.71 C ATOM 541 C GLN A 34 28.691 17.701 9.852 1.00 23.33 C ATOM 542 O GLN A 34 28.741 16.528 9.540 1.00 26.27 O ATOM 543 CB GLN A 34 28.643 17.467 12.336 1.00 28.15 C ATOM 544 CG GLN A 34 29.138 18.053 13.661 1.00 37.01 C ATOM 545 CD GLN A 34 30.648 17.839 13.784 1.00 41.74 C ATOM 546 OE1 GLN A 34 31.101 16.731 13.996 1.00 44.07 O ATOM 547 NE2 GLN A 34 31.452 18.860 13.661 1.00 41.20 N ATOM 0 H GLN A 34 28.226 19.918 11.788 1.00 20.00 H new ATOM 0 HA GLN A 34 30.380 17.988 11.160 1.00 24.71 H new ATOM 0 HB2 GLN A 34 27.560 17.565 12.267 1.00 28.15 H new ATOM 0 HB3 GLN A 34 28.870 16.402 12.292 1.00 28.15 H new ATOM 0 HG2 GLN A 34 28.906 19.117 13.709 1.00 37.01 H new ATOM 0 HG3 GLN A 34 28.624 17.577 14.496 1.00 37.01 H new ATOM 0 HE21 GLN A 34 31.072 19.790 13.483 1.00 41.20 H new ATOM 0 HE22 GLN A 34 32.460 18.728 13.743 1.00 41.20 H new ATOM 556 N LEU A 35 28.100 18.578 9.081 1.00 19.63 N ATOM 557 CA LEU A 35 27.477 18.145 7.799 1.00 15.93 C ATOM 558 C LEU A 35 28.491 18.303 6.651 1.00 13.36 C ATOM 559 O LEU A 35 29.050 19.368 6.480 1.00 16.12 O ATOM 560 CB LEU A 35 26.251 19.025 7.519 1.00 13.69 C ATOM 561 CG LEU A 35 25.030 18.512 8.298 1.00 11.57 C ATOM 562 CD1 LEU A 35 23.831 19.427 8.022 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.682 17.082 7.852 1.00 16.28 C ATOM 0 H LEU A 35 28.023 19.574 9.286 1.00 19.63 H new ATOM 0 HA LEU A 35 27.176 17.100 7.872 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.464 20.056 7.803 1.00 13.69 H new ATOM 0 HB3 LEU A 35 26.034 19.027 6.451 1.00 13.69 H new ATOM 0 HG LEU A 35 25.263 18.511 9.363 1.00 11.57 H new ATOM 0 HD11 LEU A 35 22.963 19.066 8.573 1.00 11.03 H new ATOM 0 HD12 LEU A 35 24.067 20.442 8.341 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.610 19.425 6.955 1.00 11.03 H new ATOM 0 HD21 LEU A 35 23.815 16.728 8.410 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.454 17.079 6.786 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.530 16.425 8.043 1.00 16.28 H new ATOM 575 N PRO A 36 28.703 17.246 5.887 1.00 16.38 N ATOM 576 CA PRO A 36 29.652 17.285 4.757 1.00 17.59 C ATOM 577 C PRO A 36 29.124 18.225 3.669 1.00 19.11 C ATOM 578 O PRO A 36 28.781 17.809 2.579 1.00 21.54 O ATOM 579 CB PRO A 36 29.714 15.837 4.248 1.00 16.71 C ATOM 580 CG PRO A 36 28.565 15.065 4.932 1.00 16.59 C ATOM 581 CD PRO A 36 28.033 15.944 6.075 1.00 15.74 C ATOM 0 HA PRO A 36 30.637 17.654 5.044 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.607 15.805 3.164 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.677 15.386 4.487 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.772 14.845 4.217 1.00 16.59 H new ATOM 0 HG3 PRO A 36 28.921 14.110 5.317 1.00 16.59 H new ATOM 0 HD2 PRO A 36 26.949 16.045 6.025 1.00 15.74 H new ATOM 0 HD3 PRO A 36 28.269 15.514 7.048 1.00 15.74 H new ATOM 589 N ILE A 37 29.059 19.489 3.960 1.00 0.00 N ATOM 590 CA ILE A 37 28.555 20.461 2.950 1.00 0.00 C ATOM 591 C ILE A 37 29.676 20.782 1.961 1.00 0.00 C ATOM 592 O ILE A 37 30.842 20.773 2.303 1.00 0.00 O ATOM 593 CB ILE A 37 28.107 21.748 3.648 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.865 21.455 4.512 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.788 22.813 2.589 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.582 21.653 3.697 1.00 0.00 C ATOM 0 H ILE A 37 29.333 19.895 4.855 1.00 0.00 H new ATOM 0 HA ILE A 37 27.707 20.028 2.420 1.00 0.00 H new ATOM 0 HB ILE A 37 28.903 22.120 4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 37 26.910 20.433 4.888 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.856 22.114 5.380 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.468 23.731 3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.679 23.012 1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.990 22.453 1.940 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.716 21.441 4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.531 22.683 3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.585 20.976 2.843 1.00 0.00 H new ATOM 608 N LYS A 38 29.331 21.052 0.734 1.00 12.68 N ATOM 609 CA LYS A 38 30.370 21.357 -0.284 1.00 12.78 C ATOM 610 C LYS A 38 31.265 22.502 0.198 1.00 14.66 C ATOM 611 O LYS A 38 31.216 22.904 1.343 1.00 13.94 O ATOM 612 CB LYS A 38 29.691 21.746 -1.599 1.00 11.68 C ATOM 613 CG LYS A 38 28.902 20.551 -2.158 1.00 12.28 C ATOM 614 CD LYS A 38 29.110 20.459 -3.673 1.00 13.74 C ATOM 615 CE LYS A 38 28.162 19.411 -4.259 1.00 20.88 C ATOM 616 NZ LYS A 38 26.766 19.724 -3.848 1.00 29.41 N ATOM 0 H LYS A 38 28.370 21.074 0.392 1.00 12.68 H new ATOM 0 HA LYS A 38 30.989 20.473 -0.440 1.00 12.78 H new ATOM 0 HB2 LYS A 38 29.021 22.590 -1.436 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.440 22.068 -2.323 1.00 11.68 H new ATOM 0 HG2 LYS A 38 29.232 19.629 -1.679 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.842 20.665 -1.933 1.00 12.28 H new ATOM 0 HD2 LYS A 38 28.926 21.429 -4.135 1.00 13.74 H new ATOM 0 HD3 LYS A 38 30.144 20.192 -3.893 1.00 13.74 H new ATOM 0 HE2 LYS A 38 28.240 19.402 -5.346 1.00 20.88 H new ATOM 0 HE3 LYS A 38 28.441 18.417 -3.911 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 26.113 19.471 -4.617 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 26.525 19.180 -2.995 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 26.684 20.741 -3.645 1.00 29.41 H new ATOM 630 N GLN A 39 32.097 23.010 -0.675 1.00 0.00 N ATOM 631 CA GLN A 39 33.029 24.118 -0.300 1.00 0.00 C ATOM 632 C GLN A 39 32.276 25.271 0.377 1.00 0.00 C ATOM 633 O GLN A 39 31.528 25.080 1.313 1.00 0.00 O ATOM 634 CB GLN A 39 33.734 24.637 -1.559 1.00 0.00 C ATOM 635 CG GLN A 39 34.408 23.472 -2.291 1.00 0.00 C ATOM 636 CD GLN A 39 34.928 23.948 -3.651 1.00 0.00 C ATOM 637 OE1 GLN A 39 35.591 23.209 -4.351 1.00 0.00 O ATOM 638 NE2 GLN A 39 34.653 25.157 -4.057 1.00 0.00 N ATOM 0 H GLN A 39 32.172 22.701 -1.644 1.00 0.00 H new ATOM 0 HA GLN A 39 33.762 23.727 0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 39 33.014 25.124 -2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.477 25.387 -1.288 1.00 0.00 H new ATOM 0 HG2 GLN A 39 35.231 23.081 -1.693 1.00 0.00 H new ATOM 0 HG3 GLN A 39 33.698 22.656 -2.428 1.00 0.00 H new ATOM 0 HE21 GLN A 39 34.096 25.778 -3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 39 34.995 25.481 -4.962 1.00 0.00 H new ATOM 647 N GLY A 40 32.501 26.475 -0.080 1.00 11.96 N ATOM 648 CA GLY A 40 31.836 27.658 0.538 1.00 8.67 C ATOM 649 C GLY A 40 30.322 27.592 0.351 1.00 10.51 C ATOM 650 O GLY A 40 29.695 28.556 -0.043 1.00 15.27 O ATOM 0 H GLY A 40 33.122 26.690 -0.860 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.074 27.700 1.601 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.222 28.573 0.089 1.00 8.67 H new ATOM 654 N LEU A 41 29.723 26.473 0.644 1.00 8.78 N ATOM 655 CA LEU A 41 28.240 26.362 0.494 1.00 6.78 C ATOM 656 C LEU A 41 27.582 26.534 1.867 1.00 7.45 C ATOM 657 O LEU A 41 26.404 26.813 1.970 1.00 2.18 O ATOM 658 CB LEU A 41 27.879 24.990 -0.098 1.00 6.98 C ATOM 659 CG LEU A 41 27.006 25.163 -1.354 1.00 7.77 C ATOM 660 CD1 LEU A 41 27.895 25.366 -2.582 1.00 7.97 C ATOM 661 CD2 LEU A 41 26.142 23.913 -1.557 1.00 6.68 C ATOM 0 H LEU A 41 30.191 25.631 0.980 1.00 8.78 H new ATOM 0 HA LEU A 41 27.879 27.139 -0.179 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.788 24.445 -0.351 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.347 24.395 0.644 1.00 6.98 H new ATOM 0 HG LEU A 41 26.365 26.035 -1.223 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.271 25.488 -3.467 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.507 26.257 -2.445 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.541 24.498 -2.711 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.525 24.038 -2.447 1.00 6.68 H new ATOM 0 HD22 LEU A 41 26.786 23.042 -1.681 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.500 23.769 -0.688 1.00 6.68 H new ATOM 673 N LEU A 42 28.342 26.390 2.919 1.00 7.13 N ATOM 674 CA LEU A 42 27.778 26.568 4.289 1.00 6.20 C ATOM 675 C LEU A 42 28.329 27.871 4.859 1.00 5.03 C ATOM 676 O LEU A 42 29.524 28.086 4.874 1.00 5.38 O ATOM 677 CB LEU A 42 28.208 25.402 5.185 1.00 3.82 C ATOM 678 CG LEU A 42 27.723 25.636 6.622 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.196 25.781 6.644 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.132 24.444 7.492 1.00 2.48 C ATOM 0 H LEU A 42 29.334 26.156 2.889 1.00 7.13 H new ATOM 0 HA LEU A 42 26.689 26.596 4.246 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.797 24.468 4.802 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.293 25.303 5.171 1.00 3.82 H new ATOM 0 HG LEU A 42 28.174 26.550 7.009 1.00 3.80 H new ATOM 0 HD11 LEU A 42 25.861 25.947 7.668 1.00 3.57 H new ATOM 0 HD12 LEU A 42 25.902 26.628 6.024 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.738 24.871 6.255 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.790 24.605 8.514 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.681 23.534 7.097 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.217 24.343 7.484 1.00 2.48 H new ATOM 692 N GLU A 43 27.482 28.751 5.319 1.00 5.92 N ATOM 693 CA GLU A 43 27.992 30.038 5.873 1.00 7.54 C ATOM 694 C GLU A 43 27.206 30.423 7.127 1.00 6.00 C ATOM 695 O GLU A 43 26.133 29.918 7.387 1.00 4.97 O ATOM 696 CB GLU A 43 27.846 31.139 4.816 1.00 8.77 C ATOM 697 CG GLU A 43 28.306 32.483 5.392 1.00 16.17 C ATOM 698 CD GLU A 43 29.703 32.335 5.998 1.00 21.65 C ATOM 699 OE1 GLU A 43 30.529 31.685 5.378 1.00 19.19 O ATOM 700 OE2 GLU A 43 29.924 32.873 7.070 1.00 22.03 O ATOM 0 H GLU A 43 26.469 28.637 5.336 1.00 5.92 H new ATOM 0 HA GLU A 43 29.042 29.920 6.139 1.00 7.54 H new ATOM 0 HB2 GLU A 43 28.438 30.890 3.935 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.807 31.209 4.493 1.00 8.77 H new ATOM 0 HG2 GLU A 43 28.318 33.240 4.608 1.00 16.17 H new ATOM 0 HG3 GLU A 43 27.603 32.823 6.153 1.00 16.17 H new ATOM 707 N PHE A 44 27.742 31.332 7.896 1.00 7.78 N ATOM 708 CA PHE A 44 27.054 31.791 9.137 1.00 9.60 C ATOM 709 C PHE A 44 26.947 33.316 9.072 1.00 6.71 C ATOM 710 O PHE A 44 27.936 34.021 9.121 1.00 6.85 O ATOM 711 CB PHE A 44 27.878 31.367 10.357 1.00 12.09 C ATOM 712 CG PHE A 44 28.280 29.916 10.202 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.358 28.898 10.478 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.573 29.589 9.772 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.728 27.557 10.325 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.943 28.247 9.622 1.00 16.33 C ATOM 717 CZ PHE A 44 29.020 27.231 9.898 1.00 10.85 C ATOM 0 H PHE A 44 28.639 31.782 7.714 1.00 7.78 H new ATOM 0 HA PHE A 44 26.061 31.350 9.221 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.764 31.995 10.449 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.296 31.501 11.269 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.361 29.148 10.809 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.284 30.372 9.556 1.00 15.90 H new ATOM 0 HE1 PHE A 44 27.016 26.773 10.537 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.941 27.995 9.293 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.305 26.196 9.781 1.00 10.85 H new ATOM 727 N VAL A 45 25.757 33.828 8.914 1.00 6.10 N ATOM 728 CA VAL A 45 25.586 35.306 8.789 1.00 6.58 C ATOM 729 C VAL A 45 25.242 35.940 10.138 1.00 6.12 C ATOM 730 O VAL A 45 24.141 35.815 10.636 1.00 5.14 O ATOM 731 CB VAL A 45 24.454 35.586 7.799 1.00 5.25 C ATOM 732 CG1 VAL A 45 24.136 37.082 7.786 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.882 35.140 6.399 1.00 2.33 C ATOM 0 H VAL A 45 24.894 33.287 8.866 1.00 6.10 H new ATOM 0 HA VAL A 45 26.523 35.738 8.438 1.00 6.58 H new ATOM 0 HB VAL A 45 23.564 35.034 8.102 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.329 37.276 7.079 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.829 37.397 8.783 1.00 2.00 H new ATOM 0 HG13 VAL A 45 25.023 37.640 7.486 1.00 2.00 H new ATOM 0 HG21 VAL A 45 24.077 35.339 5.692 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.773 35.691 6.098 1.00 2.33 H new ATOM 0 HG23 VAL A 45 25.101 34.072 6.408 1.00 2.33 H new ATOM 743 N ASP A 46 26.176 36.647 10.714 1.00 6.79 N ATOM 744 CA ASP A 46 25.912 37.326 12.010 1.00 6.49 C ATOM 745 C ASP A 46 25.200 38.651 11.727 1.00 9.11 C ATOM 746 O ASP A 46 25.816 39.631 11.357 1.00 7.52 O ATOM 747 CB ASP A 46 27.239 37.591 12.722 1.00 7.84 C ATOM 748 CG ASP A 46 28.041 36.291 12.807 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.574 35.293 12.282 1.00 10.50 O ATOM 750 OD2 ASP A 46 29.109 36.314 13.398 1.00 15.32 O ATOM 0 H ASP A 46 27.115 36.783 10.339 1.00 6.79 H new ATOM 0 HA ASP A 46 25.287 36.699 12.646 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.809 38.348 12.182 1.00 7.84 H new ATOM 0 HB3 ASP A 46 27.055 37.983 13.722 1.00 7.84 H new ATOM 755 N ILE A 47 23.906 38.684 11.875 1.00 8.21 N ATOM 756 CA ILE A 47 23.150 39.938 11.591 1.00 8.33 C ATOM 757 C ILE A 47 23.598 41.062 12.530 1.00 10.92 C ATOM 758 O ILE A 47 23.031 42.136 12.531 1.00 9.40 O ATOM 759 CB ILE A 47 21.654 39.679 11.772 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.382 39.139 13.177 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.198 38.645 10.744 1.00 3.40 C ATOM 762 CD1 ILE A 47 19.873 39.096 13.419 1.00 7.93 C ATOM 0 H ILE A 47 23.336 37.895 12.181 1.00 8.21 H new ATOM 0 HA ILE A 47 23.349 40.246 10.564 1.00 8.33 H new ATOM 0 HB ILE A 47 21.109 40.613 11.634 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.808 38.141 13.284 1.00 6.34 H new ATOM 0 HG13 ILE A 47 21.863 39.773 13.922 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.132 38.455 10.867 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.385 39.024 9.739 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.751 37.717 10.891 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.676 38.711 14.420 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.461 40.101 13.329 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.405 38.445 12.681 1.00 7.93 H new ATOM 774 N THR A 48 24.603 40.830 13.329 1.00 13.41 N ATOM 775 CA THR A 48 25.071 41.897 14.263 1.00 16.67 C ATOM 776 C THR A 48 26.266 42.634 13.652 1.00 16.58 C ATOM 777 O THR A 48 26.526 43.778 13.966 1.00 18.03 O ATOM 778 CB THR A 48 25.490 41.258 15.589 1.00 15.80 C ATOM 779 OG1 THR A 48 26.743 40.608 15.424 1.00 21.06 O ATOM 780 CG2 THR A 48 24.436 40.236 16.020 1.00 21.72 C ATOM 0 H THR A 48 25.120 39.952 13.377 1.00 13.41 H new ATOM 0 HA THR A 48 24.262 42.607 14.436 1.00 16.67 H new ATOM 0 HB THR A 48 25.578 42.030 16.353 1.00 15.80 H new ATOM 0 HG1 THR A 48 27.014 40.200 16.273 1.00 21.06 H new ATOM 0 HG21 THR A 48 24.735 39.781 16.964 1.00 21.72 H new ATOM 0 HG22 THR A 48 23.475 40.735 16.146 1.00 21.72 H new ATOM 0 HG23 THR A 48 24.346 39.463 15.257 1.00 21.72 H new ATOM 788 N ALA A 49 26.995 41.991 12.783 1.00 15.36 N ATOM 789 CA ALA A 49 28.173 42.659 12.157 1.00 18.08 C ATOM 790 C ALA A 49 27.708 43.599 11.039 1.00 20.63 C ATOM 791 O ALA A 49 28.456 43.911 10.134 1.00 22.45 O ATOM 792 CB ALA A 49 29.108 41.599 11.573 1.00 18.76 C ATOM 0 H ALA A 49 26.827 41.032 12.478 1.00 15.36 H new ATOM 0 HA ALA A 49 28.701 43.237 12.915 1.00 18.08 H new ATOM 0 HB1 ALA A 49 29.969 42.086 11.115 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.447 40.935 12.368 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.575 41.020 10.819 1.00 18.76 H new ATOM 798 N THR A 50 26.482 44.050 11.084 1.00 22.30 N ATOM 799 CA THR A 50 25.989 44.961 10.007 1.00 25.27 C ATOM 800 C THR A 50 24.986 45.971 10.576 1.00 24.34 C ATOM 801 O THR A 50 24.451 46.789 9.855 1.00 25.49 O ATOM 802 CB THR A 50 25.304 44.132 8.919 1.00 22.85 C ATOM 803 OG1 THR A 50 24.944 44.980 7.839 1.00 23.28 O ATOM 804 CG2 THR A 50 24.049 43.471 9.492 1.00 25.63 C ATOM 0 H THR A 50 25.804 43.830 11.814 1.00 22.30 H new ATOM 0 HA THR A 50 26.838 45.502 9.589 1.00 25.27 H new ATOM 0 HB THR A 50 25.987 43.360 8.564 1.00 22.85 H new ATOM 0 HG1 THR A 50 24.819 45.894 8.169 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.562 42.881 8.716 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.327 42.821 10.322 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.363 44.240 9.847 1.00 25.63 H new ATOM 812 N ASN A 51 24.718 45.916 11.853 1.00 0.00 N ATOM 813 CA ASN A 51 23.743 46.874 12.459 1.00 0.00 C ATOM 814 C ASN A 51 22.346 46.591 11.903 1.00 0.00 C ATOM 815 O ASN A 51 22.150 45.673 11.131 1.00 0.00 O ATOM 816 CB ASN A 51 24.144 48.319 12.138 1.00 0.00 C ATOM 817 CG ASN A 51 25.619 48.536 12.482 1.00 0.00 C ATOM 818 OD1 ASN A 51 25.937 49.179 13.462 1.00 0.00 O ATOM 819 ND2 ASN A 51 26.540 48.025 11.712 1.00 0.00 N ATOM 0 H ASN A 51 25.131 45.249 12.505 1.00 0.00 H new ATOM 0 HA ASN A 51 23.742 46.745 13.541 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.973 48.528 11.082 1.00 0.00 H new ATOM 0 HB3 ASN A 51 23.523 49.013 12.705 1.00 0.00 H new ATOM 0 HD21 ASN A 51 27.526 48.166 11.933 1.00 0.00 H new ATOM 0 HD22 ASN A 51 26.274 47.485 10.889 1.00 0.00 H new ATOM 826 N HIS A 52 21.370 47.368 12.287 1.00 0.00 N ATOM 827 CA HIS A 52 19.990 47.132 11.775 1.00 0.00 C ATOM 828 C HIS A 52 19.578 45.697 12.111 1.00 0.00 C ATOM 829 O HIS A 52 18.815 45.073 11.403 1.00 0.00 O ATOM 830 CB HIS A 52 19.956 47.339 10.253 1.00 0.00 C ATOM 831 CG HIS A 52 21.117 48.199 9.833 1.00 0.00 C ATOM 832 ND1 HIS A 52 22.023 47.793 8.866 1.00 0.00 N ATOM 833 CD2 HIS A 52 21.533 49.443 10.238 1.00 0.00 C ATOM 834 CE1 HIS A 52 22.930 48.775 8.722 1.00 0.00 C ATOM 835 NE2 HIS A 52 22.678 49.805 9.535 1.00 0.00 N ATOM 0 H HIS A 52 21.468 48.153 12.931 1.00 0.00 H new ATOM 0 HA HIS A 52 19.299 47.834 12.241 1.00 0.00 H new ATOM 0 HB2 HIS A 52 20.001 46.376 9.744 1.00 0.00 H new ATOM 0 HB3 HIS A 52 19.017 47.810 9.961 1.00 0.00 H new ATOM 0 HD2 HIS A 52 21.046 50.048 10.988 1.00 0.00 H new ATOM 0 HE1 HIS A 52 23.761 48.736 8.033 1.00 0.00 H new ATOM 0 HE2 HIS A 52 23.211 50.671 9.622 1.00 0.00 H new ATOM 843 N THR A 53 20.091 45.169 13.185 1.00 18.27 N ATOM 844 CA THR A 53 19.748 43.773 13.573 1.00 16.01 C ATOM 845 C THR A 53 18.238 43.546 13.434 1.00 16.57 C ATOM 846 O THR A 53 17.796 42.649 12.746 1.00 18.87 O ATOM 847 CB THR A 53 20.169 43.545 15.033 1.00 15.02 C ATOM 848 OG1 THR A 53 21.083 44.562 15.420 1.00 13.32 O ATOM 849 CG2 THR A 53 20.840 42.177 15.181 1.00 9.59 C ATOM 0 H THR A 53 20.736 45.646 13.814 1.00 18.27 H new ATOM 0 HA THR A 53 20.272 43.074 12.920 1.00 16.01 H new ATOM 0 HB THR A 53 19.285 43.577 15.669 1.00 15.02 H new ATOM 0 HG1 THR A 53 21.353 44.422 16.352 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.134 42.026 16.220 1.00 9.59 H new ATOM 0 HG22 THR A 53 20.141 41.395 14.885 1.00 9.59 H new ATOM 0 HG23 THR A 53 21.723 42.134 14.544 1.00 9.59 H new ATOM 857 N ASN A 54 17.448 44.343 14.098 1.00 13.94 N ATOM 858 CA ASN A 54 15.968 44.166 14.030 1.00 18.93 C ATOM 859 C ASN A 54 15.473 44.236 12.583 1.00 16.34 C ATOM 860 O ASN A 54 14.497 43.606 12.231 1.00 15.61 O ATOM 861 CB ASN A 54 15.288 45.265 14.848 1.00 24.12 C ATOM 862 CG ASN A 54 15.757 45.188 16.302 1.00 35.27 C ATOM 863 OD1 ASN A 54 16.237 44.164 16.745 1.00 45.21 O ATOM 864 ND2 ASN A 54 15.636 46.237 17.069 1.00 37.58 N ATOM 0 H ASN A 54 17.764 45.113 14.688 1.00 13.94 H new ATOM 0 HA ASN A 54 15.719 43.185 14.435 1.00 18.93 H new ATOM 0 HB2 ASN A 54 15.526 46.243 14.430 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.205 45.152 14.798 1.00 24.12 H new ATOM 0 HD21 ASN A 54 15.945 46.197 18.040 1.00 37.58 H new ATOM 0 HD22 ASN A 54 15.233 47.097 16.697 1.00 37.58 H new ATOM 871 N GLU A 55 16.116 44.996 11.740 1.00 16.09 N ATOM 872 CA GLU A 55 15.639 45.087 10.330 1.00 15.04 C ATOM 873 C GLU A 55 15.751 43.717 9.657 1.00 15.56 C ATOM 874 O GLU A 55 14.845 43.277 8.979 1.00 18.95 O ATOM 875 CB GLU A 55 16.478 46.110 9.558 1.00 18.55 C ATOM 876 CG GLU A 55 16.011 47.523 9.914 1.00 23.55 C ATOM 877 CD GLU A 55 14.676 47.810 9.224 1.00 30.41 C ATOM 878 OE1 GLU A 55 14.173 46.920 8.558 1.00 33.02 O ATOM 879 OE2 GLU A 55 14.180 48.914 9.374 1.00 31.49 O ATOM 0 H GLU A 55 16.942 45.552 11.962 1.00 16.09 H new ATOM 0 HA GLU A 55 14.597 45.406 10.328 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.533 45.991 9.804 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.380 45.942 8.485 1.00 18.55 H new ATOM 0 HG2 GLU A 55 15.902 47.620 10.994 1.00 23.55 H new ATOM 0 HG3 GLU A 55 16.758 48.253 9.602 1.00 23.55 H new ATOM 886 N ILE A 56 16.850 43.035 9.830 1.00 9.56 N ATOM 887 CA ILE A 56 16.989 41.700 9.184 1.00 8.91 C ATOM 888 C ILE A 56 15.994 40.718 9.810 1.00 7.70 C ATOM 889 O ILE A 56 15.208 40.103 9.118 1.00 9.84 O ATOM 890 CB ILE A 56 18.417 41.179 9.356 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.367 41.973 8.445 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.466 39.695 8.972 1.00 2.31 C ATOM 893 CD1 ILE A 56 19.871 43.218 9.180 1.00 8.03 C ATOM 0 H ILE A 56 17.650 43.340 10.385 1.00 9.56 H new ATOM 0 HA ILE A 56 16.776 41.795 8.119 1.00 8.91 H new ATOM 0 HB ILE A 56 18.725 41.299 10.395 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.210 41.348 8.150 1.00 6.47 H new ATOM 0 HG13 ILE A 56 18.850 42.264 7.530 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.483 39.321 9.094 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.792 39.130 9.616 1.00 2.31 H new ATOM 0 HG23 ILE A 56 18.158 39.578 7.933 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.544 43.777 8.530 1.00 8.03 H new ATOM 0 HD12 ILE A 56 19.024 43.847 9.453 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.405 42.917 10.082 1.00 8.03 H new ATOM 905 N GLN A 57 16.003 40.568 11.108 1.00 7.49 N ATOM 906 CA GLN A 57 15.036 39.623 11.737 1.00 6.88 C ATOM 907 C GLN A 57 13.637 40.058 11.336 1.00 9.50 C ATOM 908 O GLN A 57 12.787 39.253 11.012 1.00 11.03 O ATOM 909 CB GLN A 57 15.162 39.680 13.258 1.00 11.02 C ATOM 910 CG GLN A 57 16.634 39.847 13.643 1.00 12.13 C ATOM 911 CD GLN A 57 16.925 39.061 14.924 1.00 16.77 C ATOM 912 OE1 GLN A 57 17.228 37.885 14.873 1.00 17.49 O ATOM 913 NE2 GLN A 57 16.847 39.664 16.078 1.00 17.84 N ATOM 0 H GLN A 57 16.629 41.052 11.752 1.00 7.49 H new ATOM 0 HA GLN A 57 15.238 38.604 11.407 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.576 40.511 13.651 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.760 38.769 13.701 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.274 39.493 12.835 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.863 40.902 13.792 1.00 12.13 H new ATOM 0 HE21 GLN A 57 16.593 40.651 16.122 1.00 17.84 H new ATOM 0 HE22 GLN A 57 17.040 39.149 16.937 1.00 17.84 H new ATOM 922 N ASP A 58 13.403 41.338 11.329 1.00 13.48 N ATOM 923 CA ASP A 58 12.071 41.834 10.916 1.00 13.94 C ATOM 924 C ASP A 58 11.790 41.260 9.536 1.00 13.32 C ATOM 925 O ASP A 58 10.670 40.939 9.192 1.00 14.28 O ATOM 926 CB ASP A 58 12.093 43.363 10.845 1.00 12.80 C ATOM 927 CG ASP A 58 11.920 43.948 12.248 1.00 17.19 C ATOM 928 OD1 ASP A 58 11.803 43.171 13.182 1.00 15.13 O ATOM 929 OD2 ASP A 58 11.909 45.162 12.366 1.00 18.84 O ATOM 0 H ASP A 58 14.076 42.058 11.591 1.00 13.48 H new ATOM 0 HA ASP A 58 11.302 41.532 11.627 1.00 13.94 H new ATOM 0 HB2 ASP A 58 13.034 43.703 10.413 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.296 43.718 10.192 1.00 12.80 H new ATOM 934 N TYR A 59 12.820 41.107 8.750 1.00 12.69 N ATOM 935 CA TYR A 59 12.640 40.527 7.393 1.00 10.10 C ATOM 936 C TYR A 59 12.515 39.007 7.512 1.00 7.75 C ATOM 937 O TYR A 59 11.615 38.406 6.959 1.00 5.81 O ATOM 938 CB TYR A 59 13.834 40.875 6.506 1.00 12.40 C ATOM 939 CG TYR A 59 13.506 40.504 5.080 1.00 12.76 C ATOM 940 CD1 TYR A 59 13.795 39.218 4.612 1.00 6.81 C ATOM 941 CD2 TYR A 59 12.908 41.442 4.230 1.00 11.52 C ATOM 942 CE1 TYR A 59 13.489 38.869 3.291 1.00 10.94 C ATOM 943 CE2 TYR A 59 12.600 41.092 2.909 1.00 8.47 C ATOM 944 CZ TYR A 59 12.892 39.806 2.440 1.00 9.37 C ATOM 945 OH TYR A 59 12.589 39.461 1.138 1.00 12.99 O ATOM 0 H TYR A 59 13.779 41.359 8.991 1.00 12.69 H new ATOM 0 HA TYR A 59 11.737 40.940 6.942 1.00 10.10 H new ATOM 0 HB2 TYR A 59 14.059 41.939 6.577 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.722 40.338 6.841 1.00 12.40 H new ATOM 0 HD1 TYR A 59 14.254 38.494 5.269 1.00 6.81 H new ATOM 0 HD2 TYR A 59 12.684 42.435 4.592 1.00 11.52 H new ATOM 0 HE1 TYR A 59 13.714 37.877 2.929 1.00 10.94 H new ATOM 0 HE2 TYR A 59 12.137 41.814 2.253 1.00 8.47 H new ATOM 0 HH TYR A 59 12.179 40.226 0.684 1.00 12.99 H new ATOM 955 N LEU A 60 13.405 38.375 8.237 1.00 10.71 N ATOM 956 CA LEU A 60 13.314 36.895 8.387 1.00 11.04 C ATOM 957 C LEU A 60 11.916 36.554 8.889 1.00 10.32 C ATOM 958 O LEU A 60 11.349 35.534 8.553 1.00 14.61 O ATOM 959 CB LEU A 60 14.353 36.395 9.398 1.00 7.24 C ATOM 960 CG LEU A 60 15.756 36.843 8.975 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.774 36.364 10.012 1.00 9.54 C ATOM 962 CD2 LEU A 60 16.100 36.239 7.610 1.00 7.23 C ATOM 0 H LEU A 60 14.183 38.818 8.726 1.00 10.71 H new ATOM 0 HA LEU A 60 13.507 36.416 7.427 1.00 11.04 H new ATOM 0 HB2 LEU A 60 14.123 36.783 10.390 1.00 7.24 H new ATOM 0 HB3 LEU A 60 14.314 35.308 9.464 1.00 7.24 H new ATOM 0 HG LEU A 60 15.784 37.931 8.907 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.773 36.681 9.714 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.532 36.793 10.984 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.743 35.276 10.077 1.00 9.54 H new ATOM 0 HD21 LEU A 60 17.098 36.559 7.312 1.00 7.23 H new ATOM 0 HD22 LEU A 60 16.072 35.151 7.676 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.374 36.576 6.870 1.00 7.23 H new ATOM 974 N GLN A 61 11.355 37.418 9.685 1.00 10.78 N ATOM 975 CA GLN A 61 9.989 37.176 10.212 1.00 11.72 C ATOM 976 C GLN A 61 9.008 37.078 9.040 1.00 14.05 C ATOM 977 O GLN A 61 8.319 36.092 8.875 1.00 14.24 O ATOM 978 CB GLN A 61 9.596 38.351 11.111 1.00 17.47 C ATOM 979 CG GLN A 61 8.229 38.088 11.743 1.00 25.06 C ATOM 980 CD GLN A 61 8.397 37.251 13.013 1.00 31.26 C ATOM 981 OE1 GLN A 61 9.302 36.446 13.107 1.00 40.45 O ATOM 982 NE2 GLN A 61 7.559 37.409 14.001 1.00 30.05 N ATOM 0 H GLN A 61 11.789 38.288 9.994 1.00 10.78 H new ATOM 0 HA GLN A 61 9.964 36.248 10.783 1.00 11.72 H new ATOM 0 HB2 GLN A 61 10.346 38.491 11.890 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.566 39.272 10.528 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.741 39.033 11.981 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.585 37.566 11.035 1.00 25.06 H new ATOM 0 HE21 GLN A 61 6.799 38.085 13.922 1.00 30.05 H new ATOM 0 HE22 GLN A 61 7.664 36.857 14.852 1.00 30.05 H new ATOM 991 N GLN A 62 8.937 38.099 8.231 1.00 15.71 N ATOM 992 CA GLN A 62 7.996 38.075 7.074 1.00 18.54 C ATOM 993 C GLN A 62 8.441 37.019 6.058 1.00 19.36 C ATOM 994 O GLN A 62 7.628 36.365 5.435 1.00 19.52 O ATOM 995 CB GLN A 62 7.982 39.452 6.404 1.00 25.59 C ATOM 996 CG GLN A 62 6.842 39.514 5.385 1.00 34.08 C ATOM 997 CD GLN A 62 5.506 39.649 6.120 1.00 38.28 C ATOM 998 OE1 GLN A 62 4.629 38.823 5.964 1.00 41.81 O ATOM 999 NE2 GLN A 62 5.313 40.661 6.921 1.00 36.81 N ATOM 0 H GLN A 62 9.491 38.951 8.321 1.00 15.71 H new ATOM 0 HA GLN A 62 6.996 37.828 7.430 1.00 18.54 H new ATOM 0 HB2 GLN A 62 7.855 40.232 7.155 1.00 25.59 H new ATOM 0 HB3 GLN A 62 8.936 39.637 5.910 1.00 25.59 H new ATOM 0 HG2 GLN A 62 6.986 40.360 4.713 1.00 34.08 H new ATOM 0 HG3 GLN A 62 6.841 38.614 4.769 1.00 34.08 H new ATOM 0 HE21 GLN A 62 6.049 41.355 7.052 1.00 36.81 H new ATOM 0 HE22 GLN A 62 4.426 40.758 7.416 1.00 36.81 H new ATOM 1008 N LEU A 63 9.722 36.849 5.879 1.00 17.09 N ATOM 1009 CA LEU A 63 10.204 35.837 4.893 1.00 16.00 C ATOM 1010 C LEU A 63 9.814 34.437 5.360 1.00 11.34 C ATOM 1011 O LEU A 63 9.278 33.647 4.609 1.00 10.68 O ATOM 1012 CB LEU A 63 11.730 35.923 4.761 1.00 19.91 C ATOM 1013 CG LEU A 63 12.227 34.908 3.720 1.00 21.77 C ATOM 1014 CD1 LEU A 63 11.856 35.378 2.310 1.00 21.25 C ATOM 1015 CD2 LEU A 63 13.749 34.776 3.828 1.00 19.51 C ATOM 0 H LEU A 63 10.454 37.363 6.369 1.00 17.09 H new ATOM 0 HA LEU A 63 9.746 36.039 3.925 1.00 16.00 H new ATOM 0 HB2 LEU A 63 12.021 36.931 4.466 1.00 19.91 H new ATOM 0 HB3 LEU A 63 12.198 35.726 5.725 1.00 19.91 H new ATOM 0 HG LEU A 63 11.758 33.942 3.909 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.212 34.652 1.579 1.00 21.25 H new ATOM 0 HD12 LEU A 63 10.773 35.471 2.231 1.00 21.25 H new ATOM 0 HD13 LEU A 63 12.318 36.346 2.116 1.00 21.25 H new ATOM 0 HD21 LEU A 63 14.105 34.056 3.091 1.00 19.51 H new ATOM 0 HD22 LEU A 63 14.212 35.745 3.643 1.00 19.51 H new ATOM 0 HD23 LEU A 63 14.014 34.432 4.828 1.00 19.51 H new ATOM 1027 N THR A 64 10.090 34.124 6.592 1.00 10.04 N ATOM 1028 CA THR A 64 9.752 32.771 7.122 1.00 8.87 C ATOM 1029 C THR A 64 8.593 32.884 8.112 1.00 10.75 C ATOM 1030 O THR A 64 7.502 32.412 7.857 1.00 11.38 O ATOM 1031 CB THR A 64 10.983 32.187 7.823 1.00 7.78 C ATOM 1032 OG1 THR A 64 11.034 32.660 9.162 1.00 6.36 O ATOM 1033 CG2 THR A 64 12.249 32.621 7.079 1.00 6.96 C ATOM 0 H THR A 64 10.538 34.749 7.262 1.00 10.04 H new ATOM 0 HA THR A 64 9.455 32.116 6.303 1.00 8.87 H new ATOM 0 HB THR A 64 10.918 31.099 7.824 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.548 33.494 9.195 1.00 6.36 H new ATOM 0 HG21 THR A 64 13.125 32.206 7.578 1.00 6.96 H new ATOM 0 HG22 THR A 64 12.210 32.258 6.052 1.00 6.96 H new ATOM 0 HG23 THR A 64 12.315 33.709 7.077 1.00 6.96 H new ATOM 1041 N GLY A 65 8.808 33.510 9.239 1.00 10.19 N ATOM 1042 CA GLY A 65 7.697 33.644 10.220 1.00 13.28 C ATOM 1043 C GLY A 65 8.237 33.974 11.614 1.00 14.66 C ATOM 1044 O GLY A 65 7.753 34.873 12.270 1.00 14.79 O ATOM 0 H GLY A 65 9.695 33.929 9.519 1.00 10.19 H new ATOM 0 HA2 GLY A 65 7.013 34.428 9.896 1.00 13.28 H new ATOM 0 HA3 GLY A 65 7.125 32.717 10.257 1.00 13.28 H new ATOM 1048 N ALA A 66 9.216 33.247 12.087 1.00 12.02 N ATOM 1049 CA ALA A 66 9.751 33.525 13.454 1.00 9.85 C ATOM 1050 C ALA A 66 11.011 34.386 13.378 1.00 14.04 C ATOM 1051 O ALA A 66 11.894 34.155 12.577 1.00 17.81 O ATOM 1052 CB ALA A 66 10.075 32.198 14.153 1.00 13.74 C ATOM 0 H ALA A 66 9.666 32.478 11.590 1.00 12.02 H new ATOM 0 HA ALA A 66 8.996 34.068 14.022 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.466 32.398 15.151 1.00 13.74 H new ATOM 0 HB2 ALA A 66 9.169 31.598 14.232 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.821 31.654 13.574 1.00 13.74 H new ATOM 1058 N ARG A 67 11.110 35.360 14.237 1.00 15.81 N ATOM 1059 CA ARG A 67 12.314 36.222 14.262 1.00 16.07 C ATOM 1060 C ARG A 67 13.273 35.630 15.290 1.00 14.37 C ATOM 1061 O ARG A 67 14.090 36.314 15.875 1.00 14.43 O ATOM 1062 CB ARG A 67 11.911 37.633 14.690 1.00 15.97 C ATOM 1063 CG ARG A 67 11.098 37.571 15.996 1.00 17.12 C ATOM 1064 CD ARG A 67 11.869 38.269 17.117 1.00 22.31 C ATOM 1065 NE ARG A 67 12.000 39.717 16.798 1.00 23.80 N ATOM 1066 CZ ARG A 67 12.343 40.563 17.729 1.00 23.98 C ATOM 1067 NH1 ARG A 67 12.581 40.138 18.940 1.00 29.76 N ATOM 1068 NH2 ARG A 67 12.449 41.833 17.451 1.00 21.50 N ATOM 0 H ARG A 67 10.398 35.595 14.929 1.00 15.81 H new ATOM 0 HA ARG A 67 12.784 36.271 13.280 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.800 38.247 14.833 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.320 38.106 13.905 1.00 15.97 H new ATOM 0 HG2 ARG A 67 10.129 38.050 15.855 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.905 36.533 16.266 1.00 17.12 H new ATOM 0 HD2 ARG A 67 11.349 38.140 18.066 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.855 37.819 17.230 1.00 22.31 H new ATOM 0 HE ARG A 67 11.821 40.048 15.850 1.00 23.80 H new ATOM 0 HH11 ARG A 67 12.499 39.145 19.157 1.00 29.76 H new ATOM 0 HH12 ARG A 67 12.849 40.799 19.669 1.00 29.76 H new ATOM 0 HH21 ARG A 67 12.263 42.165 16.505 1.00 21.50 H new ATOM 0 HH22 ARG A 67 12.717 42.494 18.180 1.00 21.50 H new ATOM 1082 N THR A 68 13.149 34.352 15.526 1.00 13.52 N ATOM 1083 CA THR A 68 14.010 33.677 16.531 1.00 14.97 C ATOM 1084 C THR A 68 15.391 33.394 15.940 1.00 12.85 C ATOM 1085 O THR A 68 15.617 33.529 14.754 1.00 10.80 O ATOM 1086 CB THR A 68 13.339 32.357 16.945 1.00 13.06 C ATOM 1087 OG1 THR A 68 12.073 32.259 16.309 1.00 18.26 O ATOM 1088 CG2 THR A 68 13.143 32.321 18.463 1.00 14.06 C ATOM 0 H THR A 68 12.479 33.742 15.058 1.00 13.52 H new ATOM 0 HA THR A 68 14.133 34.323 17.401 1.00 14.97 H new ATOM 0 HB THR A 68 13.974 31.523 16.646 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.987 31.379 15.885 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.667 31.382 18.746 1.00 14.06 H new ATOM 0 HG22 THR A 68 14.111 32.400 18.957 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.511 33.155 18.768 1.00 14.06 H new ATOM 1096 N VAL A 69 16.312 33.000 16.774 1.00 8.20 N ATOM 1097 CA VAL A 69 17.691 32.695 16.306 1.00 5.92 C ATOM 1098 C VAL A 69 17.992 31.228 16.640 1.00 5.25 C ATOM 1099 O VAL A 69 17.701 30.794 17.734 1.00 5.78 O ATOM 1100 CB VAL A 69 18.682 33.595 17.057 1.00 4.36 C ATOM 1101 CG1 VAL A 69 20.010 33.647 16.304 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.110 35.010 17.187 1.00 4.08 C ATOM 0 H VAL A 69 16.164 32.875 17.775 1.00 8.20 H new ATOM 0 HA VAL A 69 17.780 32.868 15.234 1.00 5.92 H new ATOM 0 HB VAL A 69 18.848 33.183 18.052 1.00 4.36 H new ATOM 0 HG11 VAL A 69 20.709 34.287 16.842 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.424 32.642 16.227 1.00 2.07 H new ATOM 0 HG13 VAL A 69 19.846 34.049 15.304 1.00 2.07 H new ATOM 0 HG21 VAL A 69 18.820 35.642 17.721 1.00 4.08 H new ATOM 0 HG22 VAL A 69 17.932 35.423 16.194 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.170 34.973 17.738 1.00 4.08 H new ATOM 1112 N PRO A 70 18.563 30.494 15.715 1.00 5.33 N ATOM 1113 CA PRO A 70 18.938 30.973 14.369 1.00 6.04 C ATOM 1114 C PRO A 70 17.739 30.914 13.417 1.00 7.79 C ATOM 1115 O PRO A 70 16.603 30.737 13.813 1.00 7.15 O ATOM 1116 CB PRO A 70 19.981 29.946 13.906 1.00 3.22 C ATOM 1117 CG PRO A 70 19.756 28.670 14.755 1.00 6.88 C ATOM 1118 CD PRO A 70 18.906 29.086 15.967 1.00 6.17 C ATOM 0 HA PRO A 70 19.294 32.003 14.381 1.00 6.04 H new ATOM 0 HB2 PRO A 70 19.866 29.729 12.844 1.00 3.22 H new ATOM 0 HB3 PRO A 70 20.991 30.331 14.045 1.00 3.22 H new ATOM 0 HG2 PRO A 70 19.248 27.902 14.172 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.708 28.247 15.077 1.00 6.88 H new ATOM 0 HD2 PRO A 70 18.011 28.470 16.054 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.462 28.974 16.898 1.00 6.17 H new ATOM 1126 N ARG A 71 18.024 31.013 12.153 1.00 6.15 N ATOM 1127 CA ARG A 71 16.982 30.919 11.098 1.00 7.10 C ATOM 1128 C ARG A 71 17.714 30.386 9.863 1.00 4.23 C ATOM 1129 O ARG A 71 18.345 31.120 9.129 1.00 6.47 O ATOM 1130 CB ARG A 71 16.354 32.304 10.846 1.00 10.23 C ATOM 1131 CG ARG A 71 15.351 32.248 9.676 1.00 15.67 C ATOM 1132 CD ARG A 71 13.902 32.156 10.188 1.00 20.29 C ATOM 1133 NE ARG A 71 13.837 31.307 11.413 1.00 26.05 N ATOM 1134 CZ ARG A 71 12.745 31.265 12.125 1.00 19.78 C ATOM 1135 NH1 ARG A 71 11.704 31.959 11.759 1.00 22.60 N ATOM 1136 NH2 ARG A 71 12.694 30.524 13.199 1.00 23.53 N ATOM 0 H ARG A 71 18.968 31.160 11.796 1.00 6.15 H new ATOM 0 HA ARG A 71 16.157 30.263 11.376 1.00 7.10 H new ATOM 0 HB2 ARG A 71 15.848 32.648 11.748 1.00 10.23 H new ATOM 0 HB3 ARG A 71 17.138 33.028 10.624 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.464 33.136 9.054 1.00 15.67 H new ATOM 0 HG3 ARG A 71 15.572 31.387 9.045 1.00 15.67 H new ATOM 0 HD2 ARG A 71 13.523 33.154 10.409 1.00 20.29 H new ATOM 0 HD3 ARG A 71 13.261 31.736 9.412 1.00 20.29 H new ATOM 0 HE ARG A 71 14.649 30.758 11.695 1.00 26.05 H new ATOM 0 HH11 ARG A 71 11.744 32.534 10.917 1.00 22.60 H new ATOM 0 HH12 ARG A 71 10.849 31.927 12.314 1.00 22.60 H new ATOM 0 HH21 ARG A 71 13.508 29.978 13.481 1.00 23.53 H new ATOM 0 HH22 ARG A 71 11.840 30.491 13.756 1.00 23.53 H new ATOM 1150 N VAL A 72 17.695 29.092 9.688 1.00 4.55 N ATOM 1151 CA VAL A 72 18.455 28.460 8.569 1.00 6.53 C ATOM 1152 C VAL A 72 17.684 28.514 7.253 1.00 8.68 C ATOM 1153 O VAL A 72 16.483 28.701 7.220 1.00 6.48 O ATOM 1154 CB VAL A 72 18.719 26.999 8.934 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.492 26.319 7.802 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.539 26.934 10.229 1.00 3.35 C ATOM 0 H VAL A 72 17.180 28.439 10.278 1.00 4.55 H new ATOM 0 HA VAL A 72 19.386 29.010 8.430 1.00 6.53 H new ATOM 0 HB VAL A 72 17.769 26.485 9.081 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.679 25.278 8.064 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.906 26.363 6.884 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.442 26.832 7.651 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.727 25.892 10.489 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.489 27.449 10.084 1.00 3.35 H new ATOM 0 HG23 VAL A 72 18.985 27.415 11.035 1.00 3.35 H new ATOM 1166 N PHE A 73 18.392 28.355 6.161 1.00 5.39 N ATOM 1167 CA PHE A 73 17.742 28.399 4.825 1.00 6.90 C ATOM 1168 C PHE A 73 18.410 27.409 3.869 1.00 7.16 C ATOM 1169 O PHE A 73 19.343 27.753 3.171 1.00 14.07 O ATOM 1170 CB PHE A 73 17.895 29.798 4.233 1.00 6.44 C ATOM 1171 CG PHE A 73 17.027 30.776 4.983 1.00 9.57 C ATOM 1172 CD1 PHE A 73 17.528 31.431 6.113 1.00 3.78 C ATOM 1173 CD2 PHE A 73 15.727 31.037 4.539 1.00 12.42 C ATOM 1174 CE1 PHE A 73 16.726 32.348 6.800 1.00 6.98 C ATOM 1175 CE2 PHE A 73 14.925 31.953 5.227 1.00 11.45 C ATOM 1176 CZ PHE A 73 15.424 32.608 6.356 1.00 7.54 C ATOM 0 H PHE A 73 19.399 28.196 6.144 1.00 5.39 H new ATOM 0 HA PHE A 73 16.690 28.140 4.948 1.00 6.90 H new ATOM 0 HB2 PHE A 73 18.938 30.111 4.285 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.617 29.788 3.179 1.00 6.44 H new ATOM 0 HD1 PHE A 73 18.533 31.229 6.454 1.00 3.78 H new ATOM 0 HD2 PHE A 73 15.343 30.532 3.665 1.00 12.42 H new ATOM 0 HE1 PHE A 73 17.111 32.855 7.672 1.00 6.98 H new ATOM 0 HE2 PHE A 73 13.920 32.154 4.886 1.00 11.45 H new ATOM 0 HZ PHE A 73 14.804 33.316 6.887 1.00 7.54 H new ATOM 1186 N ILE A 74 17.927 26.202 3.782 1.00 5.91 N ATOM 1187 CA ILE A 74 18.539 25.254 2.810 1.00 7.08 C ATOM 1188 C ILE A 74 18.116 25.741 1.430 1.00 8.52 C ATOM 1189 O ILE A 74 16.973 25.606 1.043 1.00 6.64 O ATOM 1190 CB ILE A 74 18.008 23.839 3.049 1.00 6.37 C ATOM 1191 CG1 ILE A 74 17.908 23.584 4.557 1.00 6.27 C ATOM 1192 CG2 ILE A 74 18.948 22.810 2.403 1.00 4.80 C ATOM 1193 CD1 ILE A 74 19.257 23.865 5.226 1.00 9.34 C ATOM 0 H ILE A 74 17.149 25.835 4.331 1.00 5.91 H new ATOM 0 HA ILE A 74 19.624 25.221 2.912 1.00 7.08 H new ATOM 0 HB ILE A 74 17.020 23.741 2.599 1.00 6.37 H new ATOM 0 HG12 ILE A 74 17.137 24.221 4.992 1.00 6.27 H new ATOM 0 HG13 ILE A 74 17.610 22.552 4.741 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.563 21.805 2.578 1.00 4.80 H new ATOM 0 HG22 ILE A 74 19.007 22.994 1.330 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.942 22.899 2.842 1.00 4.80 H new ATOM 0 HD11 ILE A 74 19.177 23.681 6.297 1.00 9.34 H new ATOM 0 HD12 ILE A 74 20.017 23.210 4.801 1.00 9.34 H new ATOM 0 HD13 ILE A 74 19.538 24.904 5.056 1.00 9.34 H new ATOM 1205 N GLY A 75 18.998 26.367 0.708 1.00 9.27 N ATOM 1206 CA GLY A 75 18.581 26.917 -0.606 1.00 9.68 C ATOM 1207 C GLY A 75 17.597 28.046 -0.300 1.00 12.42 C ATOM 1208 O GLY A 75 17.686 28.675 0.736 1.00 11.15 O ATOM 0 H GLY A 75 19.973 26.520 0.965 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.441 27.290 -1.163 1.00 9.68 H new ATOM 0 HA3 GLY A 75 18.113 26.147 -1.220 1.00 9.68 H new ATOM 1212 N LYS A 76 16.651 28.308 -1.151 1.00 14.40 N ATOM 1213 CA LYS A 76 15.678 29.392 -0.834 1.00 16.68 C ATOM 1214 C LYS A 76 14.555 28.823 0.043 1.00 16.27 C ATOM 1215 O LYS A 76 13.651 29.528 0.445 1.00 14.00 O ATOM 1216 CB LYS A 76 15.097 29.961 -2.130 1.00 23.46 C ATOM 1217 CG LYS A 76 16.215 30.639 -2.933 1.00 30.10 C ATOM 1218 CD LYS A 76 15.622 31.727 -3.833 1.00 38.66 C ATOM 1219 CE LYS A 76 14.542 31.119 -4.728 1.00 42.17 C ATOM 1220 NZ LYS A 76 14.340 31.986 -5.922 1.00 44.86 N ATOM 0 H LYS A 76 16.507 27.829 -2.040 1.00 14.40 H new ATOM 0 HA LYS A 76 16.184 30.193 -0.296 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.643 29.164 -2.719 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.309 30.679 -1.904 1.00 23.46 H new ATOM 0 HG2 LYS A 76 16.949 31.075 -2.255 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.740 29.900 -3.538 1.00 30.10 H new ATOM 0 HD2 LYS A 76 15.197 32.525 -3.224 1.00 38.66 H new ATOM 0 HD3 LYS A 76 16.406 32.175 -4.444 1.00 38.66 H new ATOM 0 HE2 LYS A 76 14.835 30.116 -5.039 1.00 42.17 H new ATOM 0 HE3 LYS A 76 13.608 31.021 -4.174 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 13.605 31.573 -6.531 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 14.043 32.934 -5.616 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 15.231 32.057 -6.454 1.00 44.86 H new ATOM 1234 N ASP A 77 14.605 27.549 0.340 1.00 0.00 N ATOM 1235 CA ASP A 77 13.542 26.927 1.189 1.00 0.00 C ATOM 1236 C ASP A 77 13.924 27.023 2.672 1.00 0.00 C ATOM 1237 O ASP A 77 14.851 26.381 3.124 1.00 0.00 O ATOM 1238 CB ASP A 77 13.385 25.455 0.805 1.00 0.00 C ATOM 1239 CG ASP A 77 12.698 25.354 -0.557 1.00 0.00 C ATOM 1240 OD1 ASP A 77 12.306 26.386 -1.077 1.00 0.00 O ATOM 1241 OD2 ASP A 77 12.578 24.249 -1.058 1.00 0.00 O ATOM 0 H ASP A 77 15.338 26.911 0.031 1.00 0.00 H new ATOM 0 HA ASP A 77 12.604 27.457 1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.361 24.972 0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.798 24.932 1.560 1.00 0.00 H new ATOM 1246 N SER A 78 13.211 27.809 3.435 1.00 0.00 N ATOM 1247 CA SER A 78 13.532 27.930 4.889 1.00 0.00 C ATOM 1248 C SER A 78 13.106 26.655 5.623 1.00 0.00 C ATOM 1249 O SER A 78 12.128 26.026 5.269 1.00 0.00 O ATOM 1250 CB SER A 78 12.782 29.122 5.483 1.00 0.00 C ATOM 1251 OG SER A 78 13.002 29.162 6.888 1.00 0.00 O ATOM 0 H SER A 78 12.422 28.371 3.116 1.00 0.00 H new ATOM 0 HA SER A 78 14.606 28.076 5.004 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.125 30.049 5.023 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.716 29.037 5.272 1.00 0.00 H new ATOM 0 HG SER A 78 12.169 29.408 7.343 1.00 0.00 H new ATOM 1257 N ILE A 79 13.819 26.280 6.657 1.00 14.84 N ATOM 1258 CA ILE A 79 13.437 25.057 7.426 1.00 16.24 C ATOM 1259 C ILE A 79 13.027 25.467 8.841 1.00 13.64 C ATOM 1260 O ILE A 79 12.323 24.749 9.523 1.00 15.36 O ATOM 1261 CB ILE A 79 14.618 24.084 7.503 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.899 24.839 7.895 1.00 18.59 C ATOM 1263 CG2 ILE A 79 14.809 23.408 6.142 1.00 15.93 C ATOM 1264 CD1 ILE A 79 16.751 23.967 8.827 1.00 20.45 C ATOM 0 H ILE A 79 14.647 26.767 7.000 1.00 14.84 H new ATOM 0 HA ILE A 79 12.607 24.563 6.921 1.00 16.24 H new ATOM 0 HB ILE A 79 14.411 23.327 8.259 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.468 25.097 7.002 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.643 25.775 8.391 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.649 22.715 6.195 1.00 15.93 H new ATOM 0 HG22 ILE A 79 13.904 22.862 5.877 1.00 15.93 H new ATOM 0 HG23 ILE A 79 15.010 24.166 5.385 1.00 15.93 H new ATOM 0 HD11 ILE A 79 17.657 24.506 9.102 1.00 20.45 H new ATOM 0 HD12 ILE A 79 16.182 23.732 9.726 1.00 20.45 H new ATOM 0 HD13 ILE A 79 17.020 23.043 8.316 1.00 20.45 H new ATOM 1276 N GLY A 80 13.452 26.621 9.286 1.00 12.42 N ATOM 1277 CA GLY A 80 13.075 27.081 10.655 1.00 13.73 C ATOM 1278 C GLY A 80 14.320 27.535 11.421 1.00 12.94 C ATOM 1279 O GLY A 80 15.270 28.027 10.846 1.00 13.82 O ATOM 0 H GLY A 80 14.044 27.264 8.760 1.00 12.42 H new ATOM 0 HA2 GLY A 80 12.361 27.902 10.587 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.581 26.273 11.195 1.00 13.73 H new ATOM 1283 N GLY A 81 14.312 27.382 12.720 1.00 12.24 N ATOM 1284 CA GLY A 81 15.483 27.810 13.542 1.00 10.24 C ATOM 1285 C GLY A 81 16.249 26.595 14.048 1.00 11.98 C ATOM 1286 O GLY A 81 16.440 25.624 13.343 1.00 12.42 O ATOM 0 H GLY A 81 13.540 26.977 13.249 1.00 12.24 H new ATOM 0 HA2 GLY A 81 16.142 28.441 12.946 1.00 10.24 H new ATOM 0 HA3 GLY A 81 15.143 28.411 14.386 1.00 10.24 H new ATOM 1290 N SER A 82 16.706 26.658 15.263 1.00 0.00 N ATOM 1291 CA SER A 82 17.486 25.532 15.832 1.00 0.00 C ATOM 1292 C SER A 82 16.579 24.326 16.073 1.00 0.00 C ATOM 1293 O SER A 82 16.728 23.293 15.452 1.00 0.00 O ATOM 1294 CB SER A 82 18.103 25.985 17.150 1.00 0.00 C ATOM 1295 OG SER A 82 17.113 26.646 17.926 1.00 0.00 O ATOM 0 H SER A 82 16.571 27.450 15.892 1.00 0.00 H new ATOM 0 HA SER A 82 18.269 25.239 15.132 1.00 0.00 H new ATOM 0 HB2 SER A 82 18.497 25.127 17.695 1.00 0.00 H new ATOM 0 HB3 SER A 82 18.942 26.655 16.961 1.00 0.00 H new ATOM 0 HG SER A 82 16.829 26.062 18.660 1.00 0.00 H new ATOM 1301 N SER A 83 15.646 24.448 16.971 1.00 0.00 N ATOM 1302 CA SER A 83 14.733 23.304 17.262 1.00 0.00 C ATOM 1303 C SER A 83 14.144 22.772 15.959 1.00 0.00 C ATOM 1304 O SER A 83 13.808 21.611 15.844 1.00 0.00 O ATOM 1305 CB SER A 83 13.602 23.772 18.181 1.00 0.00 C ATOM 1306 OG SER A 83 12.523 22.848 18.106 1.00 0.00 O ATOM 0 H SER A 83 15.473 25.291 17.519 1.00 0.00 H new ATOM 0 HA SER A 83 15.296 22.511 17.754 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.960 23.848 19.208 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.266 24.766 17.886 1.00 0.00 H new ATOM 0 HG SER A 83 11.797 23.144 18.695 1.00 0.00 H new ATOM 1312 N ASP A 84 14.022 23.611 14.976 1.00 12.98 N ATOM 1313 CA ASP A 84 13.460 23.156 13.677 1.00 14.53 C ATOM 1314 C ASP A 84 14.500 22.305 12.945 1.00 11.28 C ATOM 1315 O ASP A 84 14.214 21.221 12.475 1.00 12.09 O ATOM 1316 CB ASP A 84 13.104 24.375 12.828 1.00 17.72 C ATOM 1317 CG ASP A 84 12.227 25.327 13.645 1.00 19.35 C ATOM 1318 OD1 ASP A 84 12.522 25.518 14.814 1.00 27.06 O ATOM 1319 OD2 ASP A 84 11.276 25.849 13.087 1.00 21.94 O ATOM 0 H ASP A 84 14.287 24.595 15.014 1.00 12.98 H new ATOM 0 HA ASP A 84 12.564 22.561 13.851 1.00 14.53 H new ATOM 0 HB2 ASP A 84 14.012 24.885 12.507 1.00 17.72 H new ATOM 0 HB3 ASP A 84 12.578 24.062 11.926 1.00 17.72 H new ATOM 1324 N LEU A 85 15.703 22.795 12.841 1.00 11.34 N ATOM 1325 CA LEU A 85 16.772 22.030 12.135 1.00 11.04 C ATOM 1326 C LEU A 85 16.935 20.642 12.758 1.00 12.09 C ATOM 1327 O LEU A 85 16.795 19.631 12.098 1.00 11.43 O ATOM 1328 CB LEU A 85 18.101 22.780 12.259 1.00 9.45 C ATOM 1329 CG LEU A 85 19.113 22.216 11.248 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.328 23.147 11.148 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.578 20.821 11.695 1.00 15.31 C ATOM 0 H LEU A 85 15.995 23.697 13.216 1.00 11.34 H new ATOM 0 HA LEU A 85 16.491 21.926 11.087 1.00 11.04 H new ATOM 0 HB2 LEU A 85 17.947 23.844 12.079 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.492 22.682 13.272 1.00 9.45 H new ATOM 0 HG LEU A 85 18.631 22.143 10.273 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.040 22.740 10.430 1.00 12.34 H new ATOM 0 HD12 LEU A 85 20.004 24.134 10.818 1.00 12.34 H new ATOM 0 HD13 LEU A 85 20.805 23.229 12.125 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.295 20.428 10.974 1.00 15.31 H new ATOM 0 HD22 LEU A 85 20.051 20.892 12.675 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.719 20.153 11.754 1.00 15.31 H new ATOM 1343 N VAL A 86 17.264 20.586 14.020 1.00 0.00 N ATOM 1344 CA VAL A 86 17.479 19.263 14.675 1.00 0.00 C ATOM 1345 C VAL A 86 16.316 18.320 14.358 1.00 0.00 C ATOM 1346 O VAL A 86 16.523 17.184 13.991 1.00 0.00 O ATOM 1347 CB VAL A 86 17.609 19.439 16.199 1.00 0.00 C ATOM 1348 CG1 VAL A 86 19.090 19.400 16.595 1.00 0.00 C ATOM 1349 CG2 VAL A 86 17.009 20.780 16.625 1.00 0.00 C ATOM 0 H VAL A 86 17.393 21.397 14.625 1.00 0.00 H new ATOM 0 HA VAL A 86 18.401 18.830 14.288 1.00 0.00 H new ATOM 0 HB VAL A 86 17.073 18.631 16.696 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.182 19.525 17.674 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.520 18.442 16.303 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.623 20.206 16.090 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.106 20.895 17.705 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.538 21.591 16.125 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.955 20.811 16.350 1.00 0.00 H new ATOM 1359 N SER A 87 15.101 18.767 14.488 1.00 14.12 N ATOM 1360 CA SER A 87 13.955 17.860 14.186 1.00 14.37 C ATOM 1361 C SER A 87 14.176 17.195 12.822 1.00 13.29 C ATOM 1362 O SER A 87 14.001 16.003 12.665 1.00 11.18 O ATOM 1363 CB SER A 87 12.652 18.665 14.158 1.00 13.30 C ATOM 1364 OG SER A 87 11.560 17.794 14.423 1.00 21.79 O ATOM 0 H SER A 87 14.850 19.709 14.787 1.00 14.12 H new ATOM 0 HA SER A 87 13.888 17.094 14.958 1.00 14.37 H new ATOM 0 HB2 SER A 87 12.686 19.462 14.901 1.00 13.30 H new ATOM 0 HB3 SER A 87 12.525 19.141 13.186 1.00 13.30 H new ATOM 0 HG SER A 87 10.723 18.304 14.408 1.00 21.79 H new ATOM 1370 N LEU A 88 14.552 17.960 11.834 1.00 0.00 N ATOM 1371 CA LEU A 88 14.779 17.384 10.477 1.00 0.00 C ATOM 1372 C LEU A 88 16.034 16.504 10.460 1.00 0.00 C ATOM 1373 O LEU A 88 16.073 15.478 9.810 1.00 0.00 O ATOM 1374 CB LEU A 88 14.957 18.525 9.475 1.00 0.00 C ATOM 1375 CG LEU A 88 13.756 19.470 9.550 1.00 0.00 C ATOM 1376 CD1 LEU A 88 14.026 20.704 8.689 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.502 18.755 9.034 1.00 0.00 C ATOM 0 H LEU A 88 14.713 18.965 11.908 1.00 0.00 H new ATOM 0 HA LEU A 88 13.919 16.770 10.210 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.875 19.071 9.691 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.054 18.124 8.466 1.00 0.00 H new ATOM 0 HG LEU A 88 13.599 19.772 10.586 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.171 21.378 8.741 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.915 21.216 9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.184 20.398 7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.649 19.431 9.089 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.657 18.450 7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.307 17.875 9.646 1.00 0.00 H new ATOM 1389 N GLN A 89 17.069 16.908 11.143 1.00 0.00 N ATOM 1390 CA GLN A 89 18.329 16.111 11.138 1.00 0.00 C ATOM 1391 C GLN A 89 18.089 14.707 11.698 1.00 0.00 C ATOM 1392 O GLN A 89 18.340 13.717 11.041 1.00 0.00 O ATOM 1393 CB GLN A 89 19.370 16.822 11.999 1.00 0.00 C ATOM 1394 CG GLN A 89 20.742 16.188 11.776 1.00 0.00 C ATOM 1395 CD GLN A 89 21.272 16.573 10.394 1.00 0.00 C ATOM 1396 OE1 GLN A 89 21.987 17.544 10.254 1.00 0.00 O ATOM 1397 NE2 GLN A 89 20.951 15.845 9.361 1.00 0.00 N ATOM 0 H GLN A 89 17.097 17.758 11.706 1.00 0.00 H new ATOM 0 HA GLN A 89 18.681 16.020 10.111 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.403 17.882 11.746 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.094 16.754 13.051 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.436 16.521 12.548 1.00 0.00 H new ATOM 0 HG3 GLN A 89 20.669 15.104 11.859 1.00 0.00 H new ATOM 0 HE21 GLN A 89 20.350 15.029 9.479 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.301 16.091 8.435 1.00 0.00 H new ATOM 1406 N GLN A 90 17.620 14.610 12.909 1.00 0.00 N ATOM 1407 CA GLN A 90 17.388 13.262 13.503 1.00 0.00 C ATOM 1408 C GLN A 90 16.369 12.510 12.652 1.00 0.00 C ATOM 1409 O GLN A 90 16.331 11.296 12.632 1.00 0.00 O ATOM 1410 CB GLN A 90 16.874 13.387 14.948 1.00 0.00 C ATOM 1411 CG GLN A 90 16.521 14.841 15.265 1.00 0.00 C ATOM 1412 CD GLN A 90 16.035 14.945 16.709 1.00 0.00 C ATOM 1413 OE1 GLN A 90 14.861 14.796 16.983 1.00 0.00 O ATOM 1414 NE2 GLN A 90 16.899 15.199 17.653 1.00 0.00 N ATOM 0 H GLN A 90 17.388 15.399 13.512 1.00 0.00 H new ATOM 0 HA GLN A 90 18.330 12.714 13.522 1.00 0.00 H new ATOM 0 HB2 GLN A 90 15.996 12.755 15.084 1.00 0.00 H new ATOM 0 HB3 GLN A 90 17.634 13.031 15.643 1.00 0.00 H new ATOM 0 HG2 GLN A 90 17.393 15.478 15.117 1.00 0.00 H new ATOM 0 HG3 GLN A 90 15.748 15.195 14.584 1.00 0.00 H new ATOM 0 HE21 GLN A 90 17.885 15.324 17.422 1.00 0.00 H new ATOM 0 HE22 GLN A 90 16.589 15.273 18.622 1.00 0.00 H new ATOM 1423 N SER A 91 15.548 13.229 11.949 1.00 0.00 N ATOM 1424 CA SER A 91 14.524 12.572 11.088 1.00 0.00 C ATOM 1425 C SER A 91 15.174 12.111 9.784 1.00 0.00 C ATOM 1426 O SER A 91 14.938 11.017 9.313 1.00 0.00 O ATOM 1427 CB SER A 91 13.405 13.566 10.776 1.00 0.00 C ATOM 1428 OG SER A 91 12.694 13.866 11.970 1.00 0.00 O ATOM 0 H SER A 91 15.539 14.249 11.931 1.00 0.00 H new ATOM 0 HA SER A 91 14.109 11.711 11.611 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.822 14.478 10.349 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.728 13.147 10.032 1.00 0.00 H new ATOM 0 HG SER A 91 13.204 14.513 12.501 1.00 0.00 H new ATOM 1434 N GLY A 92 15.991 12.944 9.203 1.00 19.34 N ATOM 1435 CA GLY A 92 16.670 12.575 7.924 1.00 19.37 C ATOM 1436 C GLY A 92 16.105 13.426 6.785 1.00 22.29 C ATOM 1437 O GLY A 92 16.627 13.439 5.688 1.00 25.64 O ATOM 0 H GLY A 92 16.221 13.872 9.560 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.745 12.732 8.012 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.519 11.517 7.711 1.00 19.37 H new ATOM 1441 N GLU A 93 15.046 14.142 7.041 1.00 22.54 N ATOM 1442 CA GLU A 93 14.451 14.998 5.979 1.00 24.53 C ATOM 1443 C GLU A 93 15.414 16.150 5.672 1.00 23.48 C ATOM 1444 O GLU A 93 15.421 16.703 4.591 1.00 22.85 O ATOM 1445 CB GLU A 93 13.110 15.553 6.474 1.00 27.50 C ATOM 1446 CG GLU A 93 12.646 16.704 5.574 1.00 36.43 C ATOM 1447 CD GLU A 93 12.712 16.274 4.107 1.00 44.30 C ATOM 1448 OE1 GLU A 93 12.349 15.145 3.823 1.00 42.86 O ATOM 1449 OE2 GLU A 93 13.123 17.085 3.293 1.00 50.26 O ATOM 0 H GLU A 93 14.567 14.171 7.941 1.00 22.54 H new ATOM 0 HA GLU A 93 14.285 14.415 5.073 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.361 14.761 6.479 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.211 15.903 7.501 1.00 27.50 H new ATOM 0 HG2 GLU A 93 11.627 16.992 5.833 1.00 36.43 H new ATOM 0 HG3 GLU A 93 13.275 17.580 5.734 1.00 36.43 H new ATOM 1456 N LEU A 94 16.224 16.515 6.624 1.00 24.17 N ATOM 1457 CA LEU A 94 17.193 17.627 6.409 1.00 22.19 C ATOM 1458 C LEU A 94 18.110 17.306 5.239 1.00 22.62 C ATOM 1459 O LEU A 94 18.120 17.987 4.233 1.00 21.76 O ATOM 1460 CB LEU A 94 18.050 17.789 7.656 1.00 23.15 C ATOM 1461 CG LEU A 94 18.923 19.044 7.532 1.00 23.80 C ATOM 1462 CD1 LEU A 94 18.052 20.308 7.576 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.927 19.066 8.688 1.00 21.18 C ATOM 0 H LEU A 94 16.258 16.088 7.550 1.00 24.17 H new ATOM 0 HA LEU A 94 16.638 18.542 6.200 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.414 17.864 8.538 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.680 16.910 7.792 1.00 23.15 H new ATOM 0 HG LEU A 94 19.453 19.023 6.580 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.686 21.190 7.487 1.00 18.74 H new ATOM 0 HD12 LEU A 94 17.340 20.288 6.751 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.511 20.344 8.521 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.553 19.955 8.609 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.390 19.083 9.636 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.554 18.175 8.642 1.00 21.18 H new ATOM 1475 N LEU A 95 18.901 16.281 5.377 1.00 0.00 N ATOM 1476 CA LEU A 95 19.846 15.926 4.288 1.00 0.00 C ATOM 1477 C LEU A 95 19.065 15.792 2.993 1.00 0.00 C ATOM 1478 O LEU A 95 19.559 16.072 1.919 1.00 0.00 O ATOM 1479 CB LEU A 95 20.549 14.605 4.644 1.00 0.00 C ATOM 1480 CG LEU A 95 19.782 13.389 4.091 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.263 13.069 2.669 1.00 0.00 C ATOM 1482 CD2 LEU A 95 20.041 12.176 4.994 1.00 0.00 C ATOM 0 H LEU A 95 18.933 15.675 6.197 1.00 0.00 H new ATOM 0 HA LEU A 95 20.604 16.700 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.562 14.611 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.637 14.519 5.727 1.00 0.00 H new ATOM 0 HG LEU A 95 18.716 13.617 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.716 12.208 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 95 20.086 13.929 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.329 12.843 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.500 11.312 4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.109 11.957 5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.698 12.395 6.005 1.00 0.00 H new ATOM 1494 N THR A 96 17.839 15.386 3.094 1.00 15.75 N ATOM 1495 CA THR A 96 17.008 15.252 1.871 1.00 17.89 C ATOM 1496 C THR A 96 16.851 16.639 1.254 1.00 14.96 C ATOM 1497 O THR A 96 16.988 16.814 0.062 1.00 17.84 O ATOM 1498 CB THR A 96 15.635 14.663 2.228 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.705 13.245 2.163 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.570 15.162 1.246 1.00 28.03 C ATOM 0 H THR A 96 17.374 15.141 3.968 1.00 15.75 H new ATOM 0 HA THR A 96 17.486 14.579 1.159 1.00 17.89 H new ATOM 0 HB THR A 96 15.363 14.979 3.235 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.832 12.864 2.392 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.602 14.736 1.511 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.513 16.250 1.293 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.836 14.856 0.234 1.00 28.03 H new ATOM 1508 N ARG A 97 16.585 17.633 2.063 1.00 12.39 N ATOM 1509 CA ARG A 97 16.437 19.012 1.521 1.00 13.82 C ATOM 1510 C ARG A 97 17.757 19.418 0.868 1.00 14.98 C ATOM 1511 O ARG A 97 17.785 20.096 -0.135 1.00 16.48 O ATOM 1512 CB ARG A 97 16.103 19.980 2.666 1.00 18.70 C ATOM 1513 CG ARG A 97 15.340 21.196 2.121 1.00 27.27 C ATOM 1514 CD ARG A 97 13.841 20.888 2.071 1.00 36.05 C ATOM 1515 NE ARG A 97 13.122 22.009 1.402 1.00 38.76 N ATOM 1516 CZ ARG A 97 11.895 21.839 0.992 1.00 40.02 C ATOM 1517 NH1 ARG A 97 11.305 20.688 1.165 1.00 39.86 N ATOM 1518 NH2 ARG A 97 11.257 22.817 0.407 1.00 40.96 N ATOM 0 H ARG A 97 16.465 17.547 3.072 1.00 12.39 H new ATOM 0 HA ARG A 97 15.633 19.044 0.786 1.00 13.82 H new ATOM 0 HB2 ARG A 97 15.502 19.471 3.420 1.00 18.70 H new ATOM 0 HB3 ARG A 97 17.020 20.306 3.157 1.00 18.70 H new ATOM 0 HG2 ARG A 97 15.521 22.064 2.754 1.00 27.27 H new ATOM 0 HG3 ARG A 97 15.702 21.447 1.124 1.00 27.27 H new ATOM 0 HD2 ARG A 97 13.669 19.958 1.530 1.00 36.05 H new ATOM 0 HD3 ARG A 97 13.455 20.746 3.080 1.00 36.05 H new ATOM 0 HE ARG A 97 13.588 22.906 1.265 1.00 38.76 H new ATOM 0 HH11 ARG A 97 11.803 19.923 1.620 1.00 39.86 H new ATOM 0 HH12 ARG A 97 10.346 20.553 0.845 1.00 39.86 H new ATOM 0 HH21 ARG A 97 11.718 23.717 0.270 1.00 40.96 H new ATOM 0 HH22 ARG A 97 10.298 22.681 0.087 1.00 40.96 H new ATOM 1532 N LEU A 98 18.850 18.991 1.429 1.00 12.44 N ATOM 1533 CA LEU A 98 20.174 19.320 0.845 1.00 12.45 C ATOM 1534 C LEU A 98 20.345 18.540 -0.463 1.00 14.25 C ATOM 1535 O LEU A 98 20.901 19.023 -1.430 1.00 12.19 O ATOM 1536 CB LEU A 98 21.262 18.895 1.836 1.00 13.23 C ATOM 1537 CG LEU A 98 21.452 19.966 2.913 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.244 19.985 3.850 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.707 19.640 3.722 1.00 15.05 C ATOM 0 H LEU A 98 18.882 18.423 2.275 1.00 12.44 H new ATOM 0 HA LEU A 98 20.249 20.389 0.647 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.989 17.948 2.301 1.00 13.23 H new ATOM 0 HB3 LEU A 98 22.201 18.732 1.307 1.00 13.23 H new ATOM 0 HG LEU A 98 21.553 20.942 2.438 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.388 20.750 4.613 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.343 20.208 3.278 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.139 19.011 4.328 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.851 20.398 4.492 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.594 18.663 4.191 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.573 19.626 3.060 1.00 15.05 H new ATOM 1551 N LYS A 99 19.889 17.318 -0.471 1.00 0.00 N ATOM 1552 CA LYS A 99 20.026 16.447 -1.675 1.00 0.00 C ATOM 1553 C LYS A 99 19.211 16.977 -2.866 1.00 0.00 C ATOM 1554 O LYS A 99 19.732 17.137 -3.953 1.00 0.00 O ATOM 1555 CB LYS A 99 19.537 15.042 -1.313 1.00 0.00 C ATOM 1556 CG LYS A 99 19.946 14.034 -2.400 1.00 0.00 C ATOM 1557 CD LYS A 99 18.770 13.781 -3.349 1.00 0.00 C ATOM 1558 CE LYS A 99 19.112 12.624 -4.290 1.00 0.00 C ATOM 1559 NZ LYS A 99 20.386 12.920 -5.005 1.00 0.00 N ATOM 0 H LYS A 99 19.419 16.878 0.320 1.00 0.00 H new ATOM 0 HA LYS A 99 21.074 16.435 -1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 99 19.956 14.741 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.453 15.045 -1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 99 20.800 14.416 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.260 13.097 -1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.872 13.545 -2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.554 14.681 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.208 11.698 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.306 12.476 -5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.472 12.297 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.387 13.912 -5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.189 12.757 -4.365 1.00 0.00 H new ATOM 1573 N GLN A 100 17.936 17.215 -2.693 1.00 18.17 N ATOM 1574 CA GLN A 100 17.111 17.689 -3.845 1.00 18.02 C ATOM 1575 C GLN A 100 17.811 18.847 -4.563 1.00 18.05 C ATOM 1576 O GLN A 100 17.680 19.003 -5.760 1.00 19.19 O ATOM 1577 CB GLN A 100 15.728 18.147 -3.359 1.00 20.45 C ATOM 1578 CG GLN A 100 15.826 18.679 -1.929 1.00 29.25 C ATOM 1579 CD GLN A 100 14.717 19.704 -1.681 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.851 20.859 -2.031 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.619 19.326 -1.083 1.00 38.64 N ATOM 0 H GLN A 100 17.434 17.103 -1.812 1.00 18.17 H new ATOM 0 HA GLN A 100 16.989 16.859 -4.541 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.340 18.923 -4.019 1.00 20.45 H new ATOM 0 HB3 GLN A 100 15.025 17.315 -3.399 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.740 17.857 -1.219 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.801 19.138 -1.768 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.506 18.356 -0.789 1.00 38.64 H new ATOM 0 HE22 GLN A 100 12.874 20.001 -0.910 1.00 38.64 H new ATOM 1590 N ILE A 101 18.550 19.660 -3.856 1.00 0.00 N ATOM 1591 CA ILE A 101 19.244 20.798 -4.528 1.00 0.00 C ATOM 1592 C ILE A 101 20.730 20.472 -4.685 1.00 0.00 C ATOM 1593 O ILE A 101 21.440 21.111 -5.434 1.00 0.00 O ATOM 1594 CB ILE A 101 19.074 22.069 -3.697 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.583 21.832 -2.274 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.594 22.451 -3.645 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.506 23.139 -1.475 1.00 0.00 C ATOM 0 H ILE A 101 18.703 19.587 -2.850 1.00 0.00 H new ATOM 0 HA ILE A 101 18.807 20.957 -5.514 1.00 0.00 H new ATOM 0 HB ILE A 101 19.647 22.875 -4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 101 18.986 21.061 -1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.611 21.470 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.473 23.358 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 101 17.228 22.627 -4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 101 17.025 21.641 -3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 101 19.869 22.968 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 101 20.122 23.898 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.472 23.482 -1.437 1.00 0.00 H new ATOM 1609 N GLY A 102 21.200 19.471 -3.995 1.00 11.15 N ATOM 1610 CA GLY A 102 22.637 19.092 -4.115 1.00 12.21 C ATOM 1611 C GLY A 102 23.505 20.036 -3.284 1.00 14.73 C ATOM 1612 O GLY A 102 24.531 20.505 -3.733 1.00 18.54 O ATOM 0 H GLY A 102 20.652 18.898 -3.353 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.779 18.065 -3.778 1.00 12.21 H new ATOM 0 HA3 GLY A 102 22.944 19.130 -5.160 1.00 12.21 H new ATOM 1616 N ALA A 103 23.107 20.313 -2.077 1.00 10.84 N ATOM 1617 CA ALA A 103 23.919 21.223 -1.217 1.00 9.88 C ATOM 1618 C ALA A 103 25.004 20.409 -0.507 1.00 9.21 C ATOM 1619 O ALA A 103 25.916 20.952 0.086 1.00 7.47 O ATOM 1620 CB ALA A 103 23.010 21.894 -0.177 1.00 4.30 C ATOM 0 H ALA A 103 22.256 19.951 -1.646 1.00 10.84 H new ATOM 0 HA ALA A 103 24.385 21.992 -1.833 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.604 22.558 0.451 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.238 22.470 -0.687 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.542 21.130 0.444 1.00 4.30 H new ATOM 1626 N LEU A 104 24.904 19.108 -0.559 1.00 0.00 N ATOM 1627 CA LEU A 104 25.917 18.245 0.114 1.00 0.00 C ATOM 1628 C LEU A 104 26.976 17.794 -0.892 1.00 0.00 C ATOM 1629 O LEU A 104 26.949 18.161 -2.049 1.00 0.00 O ATOM 1630 CB LEU A 104 25.218 17.021 0.726 1.00 0.00 C ATOM 1631 CG LEU A 104 24.920 15.964 -0.350 1.00 0.00 C ATOM 1632 CD1 LEU A 104 24.121 14.818 0.274 1.00 0.00 C ATOM 1633 CD2 LEU A 104 24.099 16.586 -1.483 1.00 0.00 C ATOM 0 H LEU A 104 24.160 18.603 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 104 26.407 18.814 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.849 16.588 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.289 17.330 1.205 1.00 0.00 H new ATOM 0 HG LEU A 104 25.862 15.589 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.908 14.067 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 104 24.701 14.366 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 104 23.184 15.204 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 104 23.893 15.830 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 104 23.158 16.966 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 104 24.661 17.405 -1.932 1.00 0.00 H new ATOM 1645 N GLN A 105 27.907 16.994 -0.452 1.00 0.00 N ATOM 1646 CA GLN A 105 28.973 16.507 -1.369 1.00 0.00 C ATOM 1647 C GLN A 105 28.436 15.346 -2.210 1.00 0.00 C ATOM 1648 O GLN A 105 28.216 15.549 -3.393 1.00 0.00 O ATOM 1649 CB GLN A 105 30.170 16.030 -0.542 1.00 0.00 C ATOM 1650 CG GLN A 105 30.953 17.240 -0.024 1.00 0.00 C ATOM 1651 CD GLN A 105 31.868 17.775 -1.128 1.00 0.00 C ATOM 1652 OE1 GLN A 105 31.402 18.272 -2.134 1.00 0.00 O ATOM 1653 NE2 GLN A 105 33.163 17.696 -0.981 1.00 0.00 N ATOM 1654 OXT GLN A 105 28.253 14.275 -1.657 1.00 0.00 O ATOM 0 H GLN A 105 27.975 16.656 0.508 1.00 0.00 H new ATOM 0 HA GLN A 105 29.284 17.316 -2.030 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.827 15.421 0.294 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.817 15.399 -1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 105 30.264 18.020 0.300 1.00 0.00 H new ATOM 0 HG3 GLN A 105 31.545 16.957 0.846 1.00 0.00 H new ATOM 0 HE21 GLN A 105 33.556 17.279 -0.137 1.00 0.00 H new ATOM 0 HE22 GLN A 105 33.782 18.051 -1.710 1.00 0.00 H new TER 1663 GLN A 105 HETATM 1664 N1 GSH A 106 14.742 27.290 19.261 1.00 0.00 N HETATM 1665 CA1 GSH A 106 14.407 28.584 18.607 1.00 0.00 C HETATM 1666 C1 GSH A 106 14.011 28.333 17.150 1.00 0.00 C HETATM 1667 O11 GSH A 106 13.208 29.095 16.636 1.00 0.00 O HETATM 1668 O12 GSH A 106 14.516 27.384 16.574 1.00 0.00 O HETATM 1669 CB1 GSH A 106 15.628 29.509 18.656 1.00 0.00 C HETATM 1670 CG1 GSH A 106 15.896 29.944 20.106 1.00 0.00 C HETATM 1671 CD1 GSH A 106 16.113 31.460 20.164 1.00 0.00 C HETATM 1672 OE1 GSH A 106 16.554 32.073 19.214 1.00 0.00 O HETATM 1673 N2 GSH A 106 15.836 32.065 21.283 1.00 0.00 N HETATM 1674 CA2 GSH A 106 16.112 33.524 21.427 1.00 0.00 C HETATM 1675 C2 GSH A 106 15.151 34.329 20.544 1.00 0.00 C HETATM 1676 O2 GSH A 106 13.951 34.141 20.595 1.00 0.00 O HETATM 1677 CB2 GSH A 106 17.563 33.809 21.010 1.00 0.00 C HETATM 1678 SG2 GSH A 106 18.572 32.327 21.263 1.00 0.00 S HETATM 1679 N3 GSH A 106 15.639 35.388 19.952 1.00 0.00 N HETATM 1680 CA3 GSH A 106 14.731 36.359 19.270 1.00 0.00 C HETATM 1681 C3 GSH A 106 14.448 37.535 20.206 1.00 0.00 C HETATM 1682 O31 GSH A 106 15.385 38.016 20.822 1.00 0.00 O HETATM 1683 O32 GSH A 106 13.302 37.950 20.274 1.00 0.00 O HETATM 0 HN12 GSH A 106 15.029 27.272 20.240 1.00 0.00 H new HETATM 0 HN11 GSH A 106 14.685 26.421 18.731 1.00 0.00 H new HETATM 0 HG13 GSH A 106 15.055 29.664 20.740 1.00 0.00 H new HETATM 0 HG12 GSH A 106 16.774 29.427 20.494 1.00 0.00 H new HETATM 0 HB23 GSH A 106 17.598 34.111 19.963 1.00 0.00 H new HETATM 0 HB22 GSH A 106 17.963 34.638 21.594 1.00 0.00 H new HETATM 0 HB13 GSH A 106 16.501 28.995 18.254 1.00 0.00 H new HETATM 0 HB12 GSH A 106 15.457 30.385 18.030 1.00 0.00 H new HETATM 0 HA32 GSH A 106 15.189 36.716 18.348 1.00 0.00 H new HETATM 0 HA31 GSH A 106 13.798 35.868 18.993 1.00 0.00 H new HETATM 0 HN3 GSH A 106 16.646 35.552 19.956 1.00 0.00 H new HETATM 0 HN2 GSH A 106 15.431 31.542 22.060 1.00 0.00 H new HETATM 0 HA2 GSH A 106 15.966 33.819 22.466 1.00 0.00 H new HETATM 0 HA1 GSH A 106 13.574 29.053 19.131 1.00 0.00 H new