USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 845 hydrogens (30 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 44 HIS HE2 : A 44 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD Set 1.1: A 76 SER OG : rot 180:sc= 0.0311 USER MOD Set 1.2: A 400 HEM CMB :methyl -30:sc= -0.211 (180deg=-0.097) USER MOD Set 2.1: A 54 GLN : amide:sc= -0.308 K(o=-0.32,f=-0.86) USER MOD Set 2.2: A 62 ASN : amide:sc=-0.00877 K(o=-0.32,f=-0.86) USER MOD Set 3.1: A 26 THR OG1 : rot 84:sc= 0.268 USER MOD Set 3.2: A 38 THR OG1 : rot -71:sc= 1.91 USER MOD Set 4.1: A 13 THR OG1 : rot 79:sc= 1.18 USER MOD Set 4.2: A 85 HIS : no HE2:sc= 0.709 K(o=1.9,f=-2.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 5 SER OG : rot 180:sc= -0.06 USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 1.14 (180deg=1.07) USER MOD Single : A 10 LYS NZ :NH3+ -160:sc= -0.323 (180deg=-0.822) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 166:sc= -0.208 (180deg=-0.668) USER MOD Single : A 20 HIS : no HE2:sc= 0.741 K(o=0.74,f=-2.3!) USER MOD Single : A 21 ASN : amide:sc= 1.08 K(o=1.1,f=-6.4!) USER MOD Single : A 22 HIS : no HD1:sc= -0.0679 X(o=-0.068,f=0) USER MOD Single : A 23 SER OG : rot 180:sc=-0.00796 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.165 USER MOD Single : A 31 HIS : no HD1:sc= 0.477 K(o=0.48,f=-5.2!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -113:sc= 1.18 (180deg=-0.26!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 74:sc= 2.1 USER MOD Single : A 69 SER OG : rot -55:sc= 0.556 USER MOD Single : A 70 THR OG1 : rot 93:sc= 0.0945 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -37:sc= 0.732 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -166:sc=-0.00896 (180deg=-0.136) USER MOD Single : A 93 SER OG : rot 180:sc= -0.491 USER MOD Single : A 94 LYS NZ :NH3+ -171:sc= 2.19 (180deg=1.76) USER MOD Single : A 96 MET CE :methyl 169:sc= -0.0151 (180deg=-0.206) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 400 HEM CMA :methyl 150:sc= -0.767 (180deg=-0.767) USER MOD Single : A 400 HEM CMC :methyl -30:sc= -0.917 (180deg=-4.32!) USER MOD Single : A 400 HEM CMD :methyl -30:sc= -0.262 (180deg=-0.534) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.656 -13.852 17.498 1.00 1.40 N ATOM 2 CA MET A 1 19.773 -13.472 18.627 1.00 1.19 C ATOM 3 C MET A 1 18.569 -12.668 18.134 1.00 1.07 C ATOM 4 O MET A 1 17.420 -13.076 18.319 1.00 1.47 O ATOM 5 CB MET A 1 20.554 -12.657 19.660 1.00 1.39 C ATOM 6 CG MET A 1 19.711 -12.213 20.845 1.00 1.77 C ATOM 7 SD MET A 1 20.684 -11.394 22.127 1.00 2.23 S ATOM 8 CE MET A 1 19.397 -10.959 23.296 1.00 2.70 C ATOM 0 H1 MET A 1 21.465 -14.397 17.858 1.00 1.40 H new ATOM 0 H2 MET A 1 20.122 -14.433 16.820 1.00 1.40 H new ATOM 0 H3 MET A 1 21.000 -12.994 17.023 1.00 1.40 H new ATOM 0 HA MET A 1 19.409 -14.388 19.093 1.00 1.19 H new ATOM 0 HB2 MET A 1 21.392 -13.252 20.023 1.00 1.39 H new ATOM 0 HB3 MET A 1 20.975 -11.777 19.174 1.00 1.39 H new ATOM 0 HG2 MET A 1 18.932 -11.535 20.497 1.00 1.77 H new ATOM 0 HG3 MET A 1 19.210 -13.081 21.274 1.00 1.77 H new ATOM 0 HE1 MET A 1 19.839 -10.444 24.149 1.00 2.70 H new ATOM 0 HE2 MET A 1 18.672 -10.304 22.812 1.00 2.70 H new ATOM 0 HE3 MET A 1 18.896 -11.864 23.639 1.00 2.70 H new ATOM 20 N ALA A 2 18.833 -11.534 17.501 1.00 0.86 N ATOM 21 CA ALA A 2 17.772 -10.677 16.993 1.00 0.87 C ATOM 22 C ALA A 2 17.899 -10.488 15.486 1.00 0.72 C ATOM 23 O ALA A 2 18.130 -9.381 15.000 1.00 0.87 O ATOM 24 CB ALA A 2 17.784 -9.328 17.704 1.00 1.10 C ATOM 0 H ALA A 2 19.776 -11.185 17.327 1.00 0.86 H new ATOM 0 HA ALA A 2 16.818 -11.165 17.195 1.00 0.87 H new ATOM 0 HB1 ALA A 2 16.983 -8.702 17.310 1.00 1.10 H new ATOM 0 HB2 ALA A 2 17.634 -9.479 18.773 1.00 1.10 H new ATOM 0 HB3 ALA A 2 18.743 -8.838 17.538 1.00 1.10 H new ATOM 30 N ALA A 3 17.764 -11.580 14.752 1.00 0.71 N ATOM 31 CA ALA A 3 17.854 -11.543 13.303 1.00 0.72 C ATOM 32 C ALA A 3 16.871 -12.522 12.684 1.00 0.70 C ATOM 33 O ALA A 3 16.725 -13.647 13.158 1.00 1.05 O ATOM 34 CB ALA A 3 19.267 -11.859 12.853 1.00 0.96 C ATOM 0 H ALA A 3 17.591 -12.508 15.139 1.00 0.71 H new ATOM 0 HA ALA A 3 17.599 -10.538 12.967 1.00 0.72 H new ATOM 0 HB1 ALA A 3 19.318 -11.827 11.765 1.00 0.96 H new ATOM 0 HB2 ALA A 3 19.955 -11.123 13.270 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.546 -12.854 13.200 1.00 0.96 H new ATOM 40 N GLN A 4 16.192 -12.091 11.634 1.00 0.66 N ATOM 41 CA GLN A 4 15.223 -12.936 10.959 1.00 0.68 C ATOM 42 C GLN A 4 15.107 -12.544 9.496 1.00 0.66 C ATOM 43 O GLN A 4 15.518 -11.449 9.104 1.00 0.81 O ATOM 44 CB GLN A 4 13.858 -12.837 11.644 1.00 0.83 C ATOM 45 CG GLN A 4 13.238 -11.444 11.609 1.00 0.97 C ATOM 46 CD GLN A 4 11.873 -11.397 12.270 1.00 1.33 C ATOM 47 OE1 GLN A 4 11.604 -12.122 13.227 1.00 1.79 O ATOM 48 NE2 GLN A 4 10.997 -10.548 11.758 1.00 1.63 N ATOM 0 H GLN A 4 16.295 -11.160 11.231 1.00 0.66 H new ATOM 0 HA GLN A 4 15.567 -13.969 11.017 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.174 -13.539 11.167 1.00 0.83 H new ATOM 0 HB3 GLN A 4 13.962 -13.150 12.683 1.00 0.83 H new ATOM 0 HG2 GLN A 4 13.904 -10.741 12.109 1.00 0.97 H new ATOM 0 HG3 GLN A 4 13.148 -11.116 10.573 1.00 0.97 H new ATOM 0 HE21 GLN A 4 11.258 -9.963 10.964 1.00 1.63 H new ATOM 0 HE22 GLN A 4 10.061 -10.478 12.157 1.00 1.63 H new ATOM 57 N SER A 5 14.559 -13.443 8.694 1.00 0.71 N ATOM 58 CA SER A 5 14.385 -13.199 7.271 1.00 0.76 C ATOM 59 C SER A 5 13.147 -13.938 6.772 1.00 0.73 C ATOM 60 O SER A 5 13.079 -15.163 6.852 1.00 1.11 O ATOM 61 CB SER A 5 15.630 -13.651 6.501 1.00 0.98 C ATOM 62 OG SER A 5 16.804 -13.070 7.053 1.00 1.18 O ATOM 0 H SER A 5 14.225 -14.354 9.007 1.00 0.71 H new ATOM 0 HA SER A 5 14.249 -12.131 7.103 1.00 0.76 H new ATOM 0 HB2 SER A 5 15.708 -14.738 6.532 1.00 0.98 H new ATOM 0 HB3 SER A 5 15.537 -13.368 5.452 1.00 0.98 H new ATOM 0 HG SER A 5 17.587 -13.373 6.548 1.00 1.18 H new ATOM 68 N ASP A 6 12.169 -13.190 6.280 1.00 0.62 N ATOM 69 CA ASP A 6 10.930 -13.780 5.781 1.00 0.68 C ATOM 70 C ASP A 6 10.257 -12.851 4.780 1.00 0.58 C ATOM 71 O ASP A 6 10.281 -11.631 4.937 1.00 0.80 O ATOM 72 CB ASP A 6 9.966 -14.069 6.940 1.00 0.89 C ATOM 73 CG ASP A 6 8.598 -14.526 6.464 1.00 1.54 C ATOM 74 OD1 ASP A 6 7.741 -13.659 6.174 1.00 1.98 O ATOM 75 OD2 ASP A 6 8.370 -15.752 6.371 1.00 2.18 O ATOM 0 H ASP A 6 12.208 -12.173 6.215 1.00 0.62 H new ATOM 0 HA ASP A 6 11.181 -14.716 5.283 1.00 0.68 H new ATOM 0 HB2 ASP A 6 10.397 -14.836 7.583 1.00 0.89 H new ATOM 0 HB3 ASP A 6 9.854 -13.170 7.547 1.00 0.89 H new ATOM 80 N LYS A 7 9.667 -13.436 3.750 1.00 0.54 N ATOM 81 CA LYS A 7 8.964 -12.677 2.730 1.00 0.58 C ATOM 82 C LYS A 7 7.729 -13.447 2.288 1.00 0.53 C ATOM 83 O LYS A 7 7.411 -13.519 1.099 1.00 0.85 O ATOM 84 CB LYS A 7 9.883 -12.380 1.539 1.00 0.81 C ATOM 85 CG LYS A 7 10.594 -11.038 1.644 1.00 1.05 C ATOM 86 CD LYS A 7 9.616 -9.879 1.510 1.00 1.24 C ATOM 87 CE LYS A 7 9.813 -8.841 2.606 1.00 1.58 C ATOM 88 NZ LYS A 7 9.282 -9.299 3.920 1.00 1.91 N ATOM 0 H LYS A 7 9.662 -14.445 3.598 1.00 0.54 H new ATOM 0 HA LYS A 7 8.653 -11.720 3.149 1.00 0.58 H new ATOM 0 HB2 LYS A 7 10.628 -13.172 1.458 1.00 0.81 H new ATOM 0 HB3 LYS A 7 9.295 -12.400 0.622 1.00 0.81 H new ATOM 0 HG2 LYS A 7 11.110 -10.972 2.602 1.00 1.05 H new ATOM 0 HG3 LYS A 7 11.355 -10.966 0.867 1.00 1.05 H new ATOM 0 HD2 LYS A 7 9.744 -9.407 0.536 1.00 1.24 H new ATOM 0 HD3 LYS A 7 8.595 -10.259 1.549 1.00 1.24 H new ATOM 0 HE2 LYS A 7 10.875 -8.617 2.704 1.00 1.58 H new ATOM 0 HE3 LYS A 7 9.316 -7.914 2.319 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 9.408 -8.546 4.627 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 8.270 -9.521 3.827 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 9.797 -10.150 4.225 1.00 1.91 H new ATOM 102 N ASP A 8 7.042 -14.023 3.268 1.00 0.50 N ATOM 103 CA ASP A 8 5.833 -14.798 3.017 1.00 0.54 C ATOM 104 C ASP A 8 4.722 -13.879 2.520 1.00 0.51 C ATOM 105 O ASP A 8 4.196 -13.059 3.273 1.00 0.83 O ATOM 106 CB ASP A 8 5.396 -15.525 4.295 1.00 0.75 C ATOM 107 CG ASP A 8 4.926 -16.940 4.031 1.00 1.00 C ATOM 108 OD1 ASP A 8 5.774 -17.859 4.019 1.00 1.72 O ATOM 109 OD2 ASP A 8 3.708 -17.144 3.849 1.00 1.44 O ATOM 0 H ASP A 8 7.305 -13.967 4.252 1.00 0.50 H new ATOM 0 HA ASP A 8 6.041 -15.544 2.250 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.229 -15.548 4.998 1.00 0.75 H new ATOM 0 HB3 ASP A 8 4.593 -14.963 4.771 1.00 0.75 H new ATOM 114 N VAL A 9 4.388 -14.000 1.244 1.00 0.39 N ATOM 115 CA VAL A 9 3.362 -13.166 0.636 1.00 0.35 C ATOM 116 C VAL A 9 1.961 -13.600 1.063 1.00 0.33 C ATOM 117 O VAL A 9 1.577 -14.765 0.928 1.00 0.44 O ATOM 118 CB VAL A 9 3.478 -13.160 -0.909 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.374 -14.567 -1.474 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.433 -12.241 -1.529 1.00 0.47 C ATOM 0 H VAL A 9 4.815 -14.672 0.606 1.00 0.39 H new ATOM 0 HA VAL A 9 3.526 -12.149 0.993 1.00 0.35 H new ATOM 0 HB VAL A 9 4.463 -12.772 -1.169 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.459 -14.530 -2.560 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.177 -15.182 -1.068 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.412 -14.999 -1.200 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.535 -12.254 -2.614 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.436 -12.586 -1.254 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.579 -11.225 -1.163 1.00 0.47 H new ATOM 130 N LYS A 10 1.206 -12.657 1.599 1.00 0.30 N ATOM 131 CA LYS A 10 -0.150 -12.927 2.039 1.00 0.34 C ATOM 132 C LYS A 10 -1.152 -12.330 1.061 1.00 0.34 C ATOM 133 O LYS A 10 -0.819 -11.428 0.297 1.00 0.48 O ATOM 134 CB LYS A 10 -0.387 -12.350 3.436 1.00 0.42 C ATOM 135 CG LYS A 10 0.548 -12.912 4.492 1.00 0.93 C ATOM 136 CD LYS A 10 0.099 -12.533 5.895 1.00 0.98 C ATOM 137 CE LYS A 10 -0.783 -13.610 6.511 1.00 1.27 C ATOM 138 NZ LYS A 10 -2.139 -13.653 5.897 1.00 1.97 N ATOM 0 H LYS A 10 1.511 -11.694 1.740 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.287 -14.008 2.076 1.00 0.34 H new ATOM 0 HB2 LYS A 10 -0.269 -11.267 3.398 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -1.417 -12.548 3.732 1.00 0.42 H new ATOM 0 HG2 LYS A 10 0.588 -13.998 4.403 1.00 0.93 H new ATOM 0 HG3 LYS A 10 1.558 -12.540 4.320 1.00 0.93 H new ATOM 0 HD2 LYS A 10 0.973 -12.372 6.526 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -0.447 -11.590 5.861 1.00 0.98 H new ATOM 0 HE2 LYS A 10 -0.302 -14.581 6.392 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -0.878 -13.430 7.582 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 -2.797 -14.137 6.541 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -2.473 -12.683 5.725 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -2.096 -14.169 4.995 1.00 1.97 H new ATOM 152 N TYR A 11 -2.370 -12.840 1.075 1.00 0.34 N ATOM 153 CA TYR A 11 -3.408 -12.334 0.195 1.00 0.35 C ATOM 154 C TYR A 11 -4.427 -11.555 1.010 1.00 0.33 C ATOM 155 O TYR A 11 -5.210 -12.133 1.764 1.00 0.39 O ATOM 156 CB TYR A 11 -4.073 -13.479 -0.570 1.00 0.43 C ATOM 157 CG TYR A 11 -3.193 -14.053 -1.661 1.00 0.50 C ATOM 158 CD1 TYR A 11 -3.214 -13.522 -2.945 1.00 0.81 C ATOM 159 CD2 TYR A 11 -2.334 -15.117 -1.404 1.00 0.85 C ATOM 160 CE1 TYR A 11 -2.404 -14.034 -3.945 1.00 0.95 C ATOM 161 CE2 TYR A 11 -1.523 -15.636 -2.398 1.00 0.96 C ATOM 162 CZ TYR A 11 -1.558 -15.092 -3.665 1.00 0.83 C ATOM 163 OH TYR A 11 -0.745 -15.607 -4.656 1.00 1.03 O ATOM 0 H TYR A 11 -2.665 -13.603 1.685 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.961 -11.665 -0.540 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -4.337 -14.271 0.130 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -5.003 -13.121 -1.012 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -3.873 -12.696 -3.167 1.00 0.81 H new ATOM 0 HD2 TYR A 11 -2.300 -15.545 -0.413 1.00 0.85 H new ATOM 0 HE1 TYR A 11 -2.433 -13.610 -4.938 1.00 0.95 H new ATOM 0 HE2 TYR A 11 -0.865 -16.465 -2.182 1.00 0.96 H new ATOM 0 HH TYR A 11 -0.213 -16.345 -4.292 1.00 1.03 H new ATOM 173 N TYR A 12 -4.395 -10.241 0.868 1.00 0.37 N ATOM 174 CA TYR A 12 -5.291 -9.368 1.606 1.00 0.41 C ATOM 175 C TYR A 12 -6.501 -8.993 0.774 1.00 0.42 C ATOM 176 O TYR A 12 -6.523 -9.190 -0.446 1.00 0.45 O ATOM 177 CB TYR A 12 -4.556 -8.098 2.039 1.00 0.45 C ATOM 178 CG TYR A 12 -3.419 -8.344 3.002 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.669 -8.593 4.343 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.096 -8.323 2.572 1.00 0.70 C ATOM 181 CE1 TYR A 12 -2.639 -8.814 5.230 1.00 0.91 C ATOM 182 CE2 TYR A 12 -1.058 -8.546 3.458 1.00 0.82 C ATOM 183 CZ TYR A 12 -1.337 -8.792 4.786 1.00 0.82 C ATOM 184 OH TYR A 12 -0.311 -9.016 5.677 1.00 1.02 O ATOM 0 H TYR A 12 -3.753 -9.753 0.244 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.632 -9.911 2.488 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -4.166 -7.596 1.153 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.270 -7.417 2.502 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -4.689 -8.614 4.698 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.877 -8.130 1.532 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -2.853 -9.004 6.271 1.00 0.91 H new ATOM 0 HE2 TYR A 12 -0.035 -8.528 3.112 1.00 0.82 H new ATOM 0 HH TYR A 12 0.547 -8.968 5.206 1.00 1.02 H new ATOM 194 N THR A 13 -7.508 -8.460 1.448 1.00 0.47 N ATOM 195 CA THR A 13 -8.735 -8.029 0.801 1.00 0.51 C ATOM 196 C THR A 13 -8.665 -6.535 0.483 1.00 0.47 C ATOM 197 O THR A 13 -7.965 -5.782 1.168 1.00 0.46 O ATOM 198 CB THR A 13 -9.955 -8.315 1.701 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.643 -9.381 2.611 1.00 0.77 O ATOM 200 CG2 THR A 13 -11.171 -8.698 0.867 1.00 0.86 C ATOM 0 H THR A 13 -7.497 -8.315 2.458 1.00 0.47 H new ATOM 0 HA THR A 13 -8.848 -8.589 -0.127 1.00 0.51 H new ATOM 0 HB THR A 13 -10.190 -7.408 2.258 1.00 0.62 H new ATOM 0 HG1 THR A 13 -9.112 -9.030 3.356 1.00 0.77 H new ATOM 0 HG21 THR A 13 -12.017 -8.894 1.526 1.00 0.86 H new ATOM 0 HG22 THR A 13 -11.420 -7.881 0.190 1.00 0.86 H new ATOM 0 HG23 THR A 13 -10.947 -9.593 0.287 1.00 0.86 H new ATOM 208 N LEU A 14 -9.380 -6.113 -0.554 1.00 0.50 N ATOM 209 CA LEU A 14 -9.389 -4.710 -0.960 1.00 0.51 C ATOM 210 C LEU A 14 -9.853 -3.809 0.183 1.00 0.48 C ATOM 211 O LEU A 14 -9.171 -2.852 0.551 1.00 0.51 O ATOM 212 CB LEU A 14 -10.291 -4.518 -2.183 1.00 0.58 C ATOM 213 CG LEU A 14 -10.398 -3.079 -2.695 1.00 0.73 C ATOM 214 CD1 LEU A 14 -9.105 -2.653 -3.374 1.00 1.00 C ATOM 215 CD2 LEU A 14 -11.576 -2.942 -3.650 1.00 0.95 C ATOM 0 H LEU A 14 -9.962 -6.722 -1.130 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.369 -4.428 -1.222 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -9.919 -5.147 -2.991 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.291 -4.874 -1.936 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.567 -2.421 -1.842 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -9.202 -1.628 -3.731 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.283 -2.713 -2.661 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -8.903 -3.313 -4.218 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -11.639 -1.913 -4.005 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -11.436 -3.611 -4.499 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.498 -3.203 -3.130 1.00 0.95 H new ATOM 227 N GLU A 15 -10.995 -4.144 0.766 1.00 0.50 N ATOM 228 CA GLU A 15 -11.564 -3.365 1.861 1.00 0.53 C ATOM 229 C GLU A 15 -10.846 -3.640 3.183 1.00 0.51 C ATOM 230 O GLU A 15 -11.173 -3.048 4.211 1.00 0.61 O ATOM 231 CB GLU A 15 -13.061 -3.660 2.014 1.00 0.61 C ATOM 232 CG GLU A 15 -13.404 -5.142 2.079 1.00 0.67 C ATOM 233 CD GLU A 15 -13.681 -5.740 0.714 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.714 -6.001 -0.032 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.862 -5.952 0.379 1.00 1.05 O ATOM 0 H GLU A 15 -11.551 -4.956 0.498 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.428 -2.312 1.613 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.424 -3.175 2.920 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.595 -3.212 1.176 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.580 -5.681 2.547 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -14.278 -5.281 2.716 1.00 0.67 H new ATOM 242 N GLU A 16 -9.864 -4.532 3.148 1.00 0.46 N ATOM 243 CA GLU A 16 -9.103 -4.883 4.343 1.00 0.50 C ATOM 244 C GLU A 16 -7.887 -3.974 4.495 1.00 0.46 C ATOM 245 O GLU A 16 -7.587 -3.490 5.590 1.00 0.51 O ATOM 246 CB GLU A 16 -8.667 -6.351 4.274 1.00 0.58 C ATOM 247 CG GLU A 16 -7.684 -6.761 5.358 1.00 1.05 C ATOM 248 CD GLU A 16 -7.298 -8.224 5.267 1.00 1.60 C ATOM 249 OE1 GLU A 16 -7.554 -8.849 4.210 1.00 2.19 O ATOM 250 OE2 GLU A 16 -6.736 -8.755 6.252 1.00 2.32 O ATOM 0 H GLU A 16 -9.575 -5.027 2.304 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.742 -4.744 5.215 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -9.551 -6.985 4.343 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -8.215 -6.539 3.300 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -6.787 -6.146 5.282 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -8.123 -6.564 6.336 1.00 1.05 H new ATOM 257 N ILE A 17 -7.186 -3.733 3.394 1.00 0.42 N ATOM 258 CA ILE A 17 -6.002 -2.885 3.426 1.00 0.44 C ATOM 259 C ILE A 17 -6.376 -1.407 3.491 1.00 0.43 C ATOM 260 O ILE A 17 -5.707 -0.622 4.163 1.00 0.48 O ATOM 261 CB ILE A 17 -5.082 -3.134 2.214 1.00 0.50 C ATOM 262 CG1 ILE A 17 -5.858 -2.987 0.902 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.451 -4.516 2.313 1.00 0.58 C ATOM 264 CD1 ILE A 17 -4.979 -3.044 -0.324 1.00 0.98 C ATOM 0 H ILE A 17 -7.415 -4.110 2.474 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.456 -3.151 4.331 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.289 -2.386 2.221 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -6.606 -3.777 0.841 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -6.396 -2.039 0.911 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -3.803 -4.683 1.453 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.863 -4.583 3.228 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.235 -5.273 2.329 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -5.593 -2.934 -1.218 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -4.247 -2.237 -0.285 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -4.461 -4.003 -0.356 1.00 0.98 H new ATOM 276 N LYS A 18 -7.466 -1.032 2.824 1.00 0.42 N ATOM 277 CA LYS A 18 -7.905 0.363 2.817 1.00 0.48 C ATOM 278 C LYS A 18 -8.697 0.705 4.079 1.00 0.50 C ATOM 279 O LYS A 18 -9.445 1.681 4.111 1.00 0.63 O ATOM 280 CB LYS A 18 -8.731 0.678 1.562 1.00 0.56 C ATOM 281 CG LYS A 18 -10.101 0.010 1.520 1.00 0.53 C ATOM 282 CD LYS A 18 -11.088 0.809 0.676 1.00 0.87 C ATOM 283 CE LYS A 18 -10.648 0.888 -0.777 1.00 1.05 C ATOM 284 NZ LYS A 18 -11.221 2.072 -1.470 1.00 1.48 N ATOM 0 H LYS A 18 -8.056 -1.667 2.286 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.010 0.985 2.802 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -8.865 1.757 1.493 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.164 0.370 0.683 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.004 -0.996 1.112 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.488 -0.093 2.534 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.074 0.347 0.733 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.184 1.816 1.083 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -9.560 0.932 -0.824 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -10.953 -0.020 -1.298 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -10.896 2.087 -2.458 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -12.259 2.018 -1.448 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -10.909 2.940 -0.989 1.00 1.48 H new ATOM 298 N LYS A 19 -8.525 -0.107 5.112 1.00 0.47 N ATOM 299 CA LYS A 19 -9.201 0.110 6.382 1.00 0.53 C ATOM 300 C LYS A 19 -8.170 0.217 7.500 1.00 0.54 C ATOM 301 O LYS A 19 -8.512 0.325 8.676 1.00 0.67 O ATOM 302 CB LYS A 19 -10.173 -1.033 6.678 1.00 0.60 C ATOM 303 CG LYS A 19 -11.364 -0.606 7.524 1.00 0.84 C ATOM 304 CD LYS A 19 -12.496 -0.062 6.665 1.00 1.09 C ATOM 305 CE LYS A 19 -13.112 -1.146 5.792 1.00 1.31 C ATOM 306 NZ LYS A 19 -13.327 -2.409 6.545 1.00 1.68 N ATOM 0 H LYS A 19 -7.919 -0.927 5.094 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.769 1.038 6.321 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.534 -1.446 5.736 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -9.638 -1.832 7.192 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -11.723 -1.457 8.103 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -11.050 0.156 8.237 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -13.265 0.369 7.307 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -12.119 0.743 6.034 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -14.064 -0.794 5.394 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -12.461 -1.338 4.939 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -13.954 -3.035 6.001 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -12.413 -2.882 6.698 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -13.765 -2.195 7.464 1.00 1.68 H new ATOM 320 N HIS A 20 -6.899 0.180 7.120 1.00 0.55 N ATOM 321 CA HIS A 20 -5.812 0.266 8.089 1.00 0.59 C ATOM 322 C HIS A 20 -4.943 1.483 7.814 1.00 0.58 C ATOM 323 O HIS A 20 -3.961 1.736 8.510 1.00 0.66 O ATOM 324 CB HIS A 20 -4.973 -1.016 8.065 1.00 0.68 C ATOM 325 CG HIS A 20 -5.643 -2.167 8.747 1.00 0.74 C ATOM 326 ND1 HIS A 20 -6.287 -3.177 8.068 1.00 0.90 N ATOM 327 CD2 HIS A 20 -5.782 -2.455 10.061 1.00 0.98 C ATOM 328 CE1 HIS A 20 -6.792 -4.033 8.934 1.00 1.07 C ATOM 329 NE2 HIS A 20 -6.503 -3.620 10.153 1.00 1.13 N ATOM 0 H HIS A 20 -6.595 0.091 6.150 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.244 0.376 9.084 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -4.763 -1.287 7.030 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -4.014 -0.825 8.546 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.362 -3.251 7.053 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -5.397 -1.875 10.887 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -7.350 -4.924 8.687 1.00 1.07 H new ATOM 338 N ASN A 21 -5.339 2.252 6.814 1.00 0.58 N ATOM 339 CA ASN A 21 -4.616 3.450 6.412 1.00 0.61 C ATOM 340 C ASN A 21 -4.845 4.587 7.408 1.00 0.60 C ATOM 341 O ASN A 21 -5.570 5.546 7.134 1.00 0.75 O ATOM 342 CB ASN A 21 -5.030 3.872 4.991 1.00 0.72 C ATOM 343 CG ASN A 21 -6.538 4.001 4.800 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.331 3.381 5.511 1.00 0.96 O ATOM 345 ND2 ASN A 21 -6.943 4.792 3.820 1.00 0.88 N ATOM 0 H ASN A 21 -6.172 2.064 6.256 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.550 3.223 6.407 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.561 4.827 4.755 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -4.644 3.142 4.279 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -7.940 4.904 3.633 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.259 5.290 3.251 1.00 0.88 H new ATOM 352 N HIS A 22 -4.232 4.461 8.573 1.00 0.64 N ATOM 353 CA HIS A 22 -4.364 5.464 9.615 1.00 0.76 C ATOM 354 C HIS A 22 -3.027 6.148 9.892 1.00 0.88 C ATOM 355 O HIS A 22 -2.754 7.221 9.356 1.00 1.61 O ATOM 356 CB HIS A 22 -4.930 4.840 10.894 1.00 0.83 C ATOM 357 CG HIS A 22 -6.392 4.521 10.810 1.00 0.87 C ATOM 358 ND1 HIS A 22 -6.945 3.367 11.326 1.00 1.32 N ATOM 359 CD2 HIS A 22 -7.420 5.214 10.266 1.00 1.17 C ATOM 360 CE1 HIS A 22 -8.245 3.366 11.100 1.00 1.29 C ATOM 361 NE2 HIS A 22 -8.557 4.474 10.463 1.00 1.09 N ATOM 0 H HIS A 22 -3.636 3.671 8.821 1.00 0.64 H new ATOM 0 HA HIS A 22 -5.062 6.225 9.265 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -4.379 3.926 11.117 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -4.763 5.524 11.726 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -7.356 6.171 9.770 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -8.936 2.588 11.389 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -9.495 4.740 10.164 1.00 1.09 H new ATOM 370 N SER A 23 -2.189 5.526 10.718 1.00 0.60 N ATOM 371 CA SER A 23 -0.888 6.111 11.046 1.00 0.62 C ATOM 372 C SER A 23 0.173 5.041 11.311 1.00 0.52 C ATOM 373 O SER A 23 1.321 5.183 10.892 1.00 0.62 O ATOM 374 CB SER A 23 -1.008 7.038 12.265 1.00 0.84 C ATOM 375 OG SER A 23 -2.366 7.221 12.645 1.00 1.32 O ATOM 0 H SER A 23 -2.381 4.631 11.167 1.00 0.60 H new ATOM 0 HA SER A 23 -0.569 6.689 10.179 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.448 6.618 13.100 1.00 0.84 H new ATOM 0 HB3 SER A 23 -0.559 8.004 12.035 1.00 0.84 H new ATOM 0 HG SER A 23 -2.411 7.814 13.424 1.00 1.32 H new ATOM 381 N LYS A 24 -0.209 3.963 11.992 1.00 0.51 N ATOM 382 CA LYS A 24 0.737 2.897 12.317 1.00 0.51 C ATOM 383 C LYS A 24 0.467 1.642 11.494 1.00 0.44 C ATOM 384 O LYS A 24 0.917 0.550 11.837 1.00 0.45 O ATOM 385 CB LYS A 24 0.688 2.573 13.816 1.00 0.71 C ATOM 386 CG LYS A 24 -0.720 2.479 14.386 1.00 0.97 C ATOM 387 CD LYS A 24 -0.708 2.542 15.903 1.00 1.41 C ATOM 388 CE LYS A 24 -2.117 2.503 16.473 1.00 1.88 C ATOM 389 NZ LYS A 24 -2.164 2.983 17.879 1.00 2.36 N ATOM 0 H LYS A 24 -1.159 3.804 12.327 1.00 0.51 H new ATOM 0 HA LYS A 24 1.736 3.253 12.066 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.202 1.628 13.989 1.00 0.71 H new ATOM 0 HB3 LYS A 24 1.238 3.340 14.361 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -1.329 3.292 13.991 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -1.184 1.547 14.063 1.00 0.97 H new ATOM 0 HD2 LYS A 24 -0.131 1.706 16.298 1.00 1.41 H new ATOM 0 HD3 LYS A 24 -0.209 3.455 16.226 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -2.774 3.118 15.858 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -2.499 1.483 16.425 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -3.143 2.940 18.228 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 -1.558 2.381 18.472 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -1.824 3.965 17.922 1.00 2.36 H new ATOM 403 N SER A 25 -0.271 1.809 10.406 1.00 0.43 N ATOM 404 CA SER A 25 -0.602 0.706 9.512 1.00 0.42 C ATOM 405 C SER A 25 -0.809 1.242 8.099 1.00 0.42 C ATOM 406 O SER A 25 -1.596 0.707 7.321 1.00 0.50 O ATOM 407 CB SER A 25 -1.871 -0.007 9.995 1.00 0.48 C ATOM 408 OG SER A 25 -1.865 -0.173 11.403 1.00 0.83 O ATOM 0 H SER A 25 -0.656 2.708 10.118 1.00 0.43 H new ATOM 0 HA SER A 25 0.219 -0.011 9.510 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.749 0.567 9.698 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.949 -0.981 9.512 1.00 0.48 H new ATOM 0 HG SER A 25 -2.686 -0.629 11.682 1.00 0.83 H new ATOM 414 N THR A 26 -0.083 2.305 7.782 1.00 0.42 N ATOM 415 CA THR A 26 -0.181 2.963 6.490 1.00 0.43 C ATOM 416 C THR A 26 0.366 2.091 5.359 1.00 0.36 C ATOM 417 O THR A 26 1.581 1.957 5.190 1.00 0.41 O ATOM 418 CB THR A 26 0.571 4.302 6.525 1.00 0.51 C ATOM 419 OG1 THR A 26 0.310 4.958 7.774 1.00 0.64 O ATOM 420 CG2 THR A 26 0.142 5.202 5.380 1.00 0.56 C ATOM 0 H THR A 26 0.591 2.735 8.416 1.00 0.42 H new ATOM 0 HA THR A 26 -1.238 3.138 6.291 1.00 0.43 H new ATOM 0 HB THR A 26 1.637 4.103 6.420 1.00 0.51 H new ATOM 0 HG1 THR A 26 0.919 4.611 8.459 1.00 0.64 H new ATOM 0 HG21 THR A 26 0.691 6.142 5.431 1.00 0.56 H new ATOM 0 HG22 THR A 26 0.353 4.709 4.431 1.00 0.56 H new ATOM 0 HG23 THR A 26 -0.927 5.402 5.455 1.00 0.56 H new ATOM 428 N TRP A 27 -0.541 1.495 4.599 1.00 0.35 N ATOM 429 CA TRP A 27 -0.175 0.650 3.476 1.00 0.33 C ATOM 430 C TRP A 27 -0.511 1.353 2.169 1.00 0.32 C ATOM 431 O TRP A 27 -1.524 2.048 2.073 1.00 0.36 O ATOM 432 CB TRP A 27 -0.916 -0.690 3.554 1.00 0.38 C ATOM 433 CG TRP A 27 -0.443 -1.577 4.665 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.760 -1.516 5.304 1.00 0.43 C ATOM 435 CD2 TRP A 27 -1.160 -2.663 5.263 1.00 0.48 C ATOM 436 NE1 TRP A 27 0.837 -2.495 6.260 1.00 0.48 N ATOM 437 CE2 TRP A 27 -0.329 -3.213 6.256 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.425 -3.221 5.057 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -0.720 -4.296 7.037 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -2.812 -4.297 5.835 1.00 0.68 C ATOM 441 CH2 TRP A 27 -1.961 -4.823 6.815 1.00 0.71 C ATOM 0 H TRP A 27 -1.547 1.584 4.744 1.00 0.35 H new ATOM 0 HA TRP A 27 0.898 0.459 3.515 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -1.981 -0.499 3.682 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.798 -1.216 2.606 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.539 -0.800 5.088 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.634 -2.662 6.875 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -3.088 -2.819 4.305 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 -0.066 -4.706 7.792 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -3.786 -4.739 5.684 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -2.293 -5.663 7.408 1.00 0.71 H new ATOM 452 N LEU A 28 0.339 1.184 1.172 1.00 0.32 N ATOM 453 CA LEU A 28 0.122 1.805 -0.129 1.00 0.33 C ATOM 454 C LEU A 28 0.144 0.756 -1.232 1.00 0.32 C ATOM 455 O LEU A 28 0.928 -0.194 -1.177 1.00 0.32 O ATOM 456 CB LEU A 28 1.191 2.869 -0.397 1.00 0.36 C ATOM 457 CG LEU A 28 0.661 4.291 -0.600 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.399 5.265 0.303 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.797 4.710 -2.054 1.00 0.99 C ATOM 0 H LEU A 28 1.188 0.622 1.235 1.00 0.32 H new ATOM 0 HA LEU A 28 -0.857 2.283 -0.121 1.00 0.33 H new ATOM 0 HB2 LEU A 28 1.891 2.876 0.438 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.755 2.579 -1.284 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.396 4.305 -0.336 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.011 6.271 0.147 1.00 0.85 H new ATOM 0 HD12 LEU A 28 1.254 4.977 1.344 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.463 5.246 0.066 1.00 0.85 H new ATOM 0 HD21 LEU A 28 0.415 5.723 -2.178 1.00 0.99 H new ATOM 0 HD22 LEU A 28 1.847 4.680 -2.345 1.00 0.99 H new ATOM 0 HD23 LEU A 28 0.227 4.028 -2.684 1.00 0.99 H new ATOM 471 N ILE A 29 -0.721 0.922 -2.225 1.00 0.35 N ATOM 472 CA ILE A 29 -0.789 -0.009 -3.339 1.00 0.36 C ATOM 473 C ILE A 29 -0.005 0.535 -4.525 1.00 0.36 C ATOM 474 O ILE A 29 -0.267 1.642 -5.001 1.00 0.39 O ATOM 475 CB ILE A 29 -2.246 -0.275 -3.777 1.00 0.42 C ATOM 476 CG1 ILE A 29 -3.100 -0.688 -2.577 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.290 -1.347 -4.858 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.587 -0.697 -2.866 1.00 0.80 C ATOM 0 H ILE A 29 -1.385 1.694 -2.279 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.354 -0.950 -3.001 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.656 0.647 -4.189 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.796 -1.682 -2.250 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -2.903 -0.006 -1.750 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.324 -1.522 -5.155 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.715 -1.015 -5.723 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -1.862 -2.272 -4.471 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -5.130 -0.999 -1.970 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -4.906 0.302 -3.164 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.797 -1.400 -3.672 1.00 0.80 H new ATOM 490 N LEU A 30 0.974 -0.231 -4.976 1.00 0.34 N ATOM 491 CA LEU A 30 1.795 0.161 -6.110 1.00 0.37 C ATOM 492 C LEU A 30 2.024 -1.035 -7.015 1.00 0.38 C ATOM 493 O LEU A 30 2.582 -2.042 -6.587 1.00 0.38 O ATOM 494 CB LEU A 30 3.138 0.719 -5.639 1.00 0.38 C ATOM 495 CG LEU A 30 3.068 2.055 -4.901 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.385 2.339 -4.207 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.734 3.181 -5.861 1.00 0.48 C ATOM 0 H LEU A 30 1.221 -1.134 -4.571 1.00 0.34 H new ATOM 0 HA LEU A 30 1.272 0.941 -6.663 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.608 -0.015 -4.984 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.788 0.835 -6.506 1.00 0.38 H new ATOM 0 HG LEU A 30 2.278 1.992 -4.153 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.323 3.294 -3.685 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.597 1.546 -3.490 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.184 2.382 -4.947 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.689 4.123 -5.315 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.504 3.244 -6.630 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.769 2.986 -6.329 1.00 0.48 H new ATOM 509 N HIS A 31 1.571 -0.926 -8.260 1.00 0.41 N ATOM 510 CA HIS A 31 1.725 -2.000 -9.243 1.00 0.43 C ATOM 511 C HIS A 31 1.003 -3.266 -8.778 1.00 0.42 C ATOM 512 O HIS A 31 1.470 -4.381 -9.013 1.00 0.45 O ATOM 513 CB HIS A 31 3.211 -2.302 -9.504 1.00 0.47 C ATOM 514 CG HIS A 31 3.894 -1.307 -10.393 1.00 0.66 C ATOM 515 ND1 HIS A 31 4.392 -1.630 -11.635 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.179 0.006 -10.209 1.00 1.10 C ATOM 517 CE1 HIS A 31 4.949 -0.565 -12.176 1.00 1.22 C ATOM 518 NE2 HIS A 31 4.833 0.443 -11.334 1.00 1.18 N ATOM 0 H HIS A 31 1.091 -0.100 -8.617 1.00 0.41 H new ATOM 0 HA HIS A 31 1.275 -1.664 -10.177 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.736 -2.339 -8.549 1.00 0.47 H new ATOM 0 HB3 HIS A 31 3.296 -3.292 -9.953 1.00 0.47 H new ATOM 0 HD2 HIS A 31 3.936 0.598 -9.339 1.00 1.10 H new ATOM 0 HE1 HIS A 31 5.421 -0.525 -13.146 1.00 1.22 H new ATOM 0 HE2 HIS A 31 5.173 1.391 -11.492 1.00 1.18 H new ATOM 527 N HIS A 32 -0.142 -3.068 -8.111 1.00 0.42 N ATOM 528 CA HIS A 32 -0.973 -4.165 -7.589 1.00 0.44 C ATOM 529 C HIS A 32 -0.315 -4.858 -6.395 1.00 0.40 C ATOM 530 O HIS A 32 -0.763 -5.922 -5.963 1.00 0.44 O ATOM 531 CB HIS A 32 -1.289 -5.205 -8.675 1.00 0.52 C ATOM 532 CG HIS A 32 -2.127 -4.677 -9.795 1.00 0.68 C ATOM 533 ND1 HIS A 32 -1.618 -4.380 -11.039 1.00 1.01 N ATOM 534 CD2 HIS A 32 -3.446 -4.387 -9.853 1.00 0.85 C ATOM 535 CE1 HIS A 32 -2.588 -3.931 -11.813 1.00 1.09 C ATOM 536 NE2 HIS A 32 -3.711 -3.922 -11.118 1.00 0.97 N ATOM 0 H HIS A 32 -0.520 -2.141 -7.917 1.00 0.42 H new ATOM 0 HA HIS A 32 -1.906 -3.710 -7.257 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -0.353 -5.585 -9.083 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -1.803 -6.050 -8.217 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.161 -4.500 -9.051 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -2.481 -3.623 -12.842 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -4.622 -3.620 -11.463 1.00 0.97 H new ATOM 545 N LYS A 33 0.740 -4.256 -5.867 1.00 0.37 N ATOM 546 CA LYS A 33 1.448 -4.813 -4.723 1.00 0.37 C ATOM 547 C LYS A 33 1.241 -3.926 -3.502 1.00 0.33 C ATOM 548 O LYS A 33 1.206 -2.700 -3.620 1.00 0.36 O ATOM 549 CB LYS A 33 2.946 -4.933 -5.028 1.00 0.40 C ATOM 550 CG LYS A 33 3.256 -5.592 -6.365 1.00 0.57 C ATOM 551 CD LYS A 33 3.191 -7.105 -6.271 1.00 0.79 C ATOM 552 CE LYS A 33 3.422 -7.755 -7.624 1.00 0.94 C ATOM 553 NZ LYS A 33 3.591 -9.226 -7.509 1.00 1.02 N ATOM 0 H LYS A 33 1.126 -3.378 -6.214 1.00 0.37 H new ATOM 0 HA LYS A 33 1.050 -5.807 -4.518 1.00 0.37 H new ATOM 0 HB2 LYS A 33 3.390 -3.938 -5.014 1.00 0.40 H new ATOM 0 HB3 LYS A 33 3.423 -5.506 -4.233 1.00 0.40 H new ATOM 0 HG2 LYS A 33 2.548 -5.243 -7.116 1.00 0.57 H new ATOM 0 HG3 LYS A 33 4.249 -5.290 -6.699 1.00 0.57 H new ATOM 0 HD2 LYS A 33 3.940 -7.459 -5.563 1.00 0.79 H new ATOM 0 HD3 LYS A 33 2.218 -7.405 -5.883 1.00 0.79 H new ATOM 0 HE2 LYS A 33 2.580 -7.536 -8.281 1.00 0.94 H new ATOM 0 HE3 LYS A 33 4.308 -7.323 -8.088 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 4.566 -9.484 -7.762 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 3.397 -9.522 -6.531 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 2.928 -9.703 -8.153 1.00 1.02 H new ATOM 567 N VAL A 34 1.089 -4.540 -2.337 1.00 0.30 N ATOM 568 CA VAL A 34 0.890 -3.794 -1.104 1.00 0.30 C ATOM 569 C VAL A 34 2.219 -3.621 -0.380 1.00 0.27 C ATOM 570 O VAL A 34 2.870 -4.605 -0.017 1.00 0.28 O ATOM 571 CB VAL A 34 -0.114 -4.493 -0.158 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.492 -3.575 0.993 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.354 -4.940 -0.919 1.00 0.35 C ATOM 0 H VAL A 34 1.100 -5.553 -2.221 1.00 0.30 H new ATOM 0 HA VAL A 34 0.479 -2.822 -1.377 1.00 0.30 H new ATOM 0 HB VAL A 34 0.368 -5.380 0.254 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.199 -4.084 1.648 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.402 -3.313 1.558 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -0.951 -2.668 0.599 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.045 -5.429 -0.233 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -1.839 -4.072 -1.366 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.067 -5.639 -1.704 1.00 0.35 H new ATOM 583 N TYR A 35 2.620 -2.375 -0.179 1.00 0.28 N ATOM 584 CA TYR A 35 3.875 -2.079 0.493 1.00 0.28 C ATOM 585 C TYR A 35 3.636 -1.333 1.804 1.00 0.30 C ATOM 586 O TYR A 35 2.818 -0.413 1.863 1.00 0.32 O ATOM 587 CB TYR A 35 4.782 -1.245 -0.417 1.00 0.31 C ATOM 588 CG TYR A 35 5.240 -1.973 -1.664 1.00 0.31 C ATOM 589 CD1 TYR A 35 6.094 -3.064 -1.582 1.00 0.35 C ATOM 590 CD2 TYR A 35 4.815 -1.568 -2.925 1.00 0.43 C ATOM 591 CE1 TYR A 35 6.515 -3.730 -2.717 1.00 0.40 C ATOM 592 CE2 TYR A 35 5.233 -2.229 -4.065 1.00 0.47 C ATOM 593 CZ TYR A 35 6.081 -3.310 -3.954 1.00 0.41 C ATOM 594 OH TYR A 35 6.500 -3.968 -5.088 1.00 0.48 O ATOM 0 H TYR A 35 2.094 -1.552 -0.472 1.00 0.28 H new ATOM 0 HA TYR A 35 4.364 -3.027 0.719 1.00 0.28 H new ATOM 0 HB2 TYR A 35 4.251 -0.340 -0.711 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.658 -0.930 0.150 1.00 0.31 H new ATOM 0 HD1 TYR A 35 6.436 -3.398 -0.614 1.00 0.35 H new ATOM 0 HD2 TYR A 35 4.148 -0.724 -3.015 1.00 0.43 H new ATOM 0 HE1 TYR A 35 7.181 -4.576 -2.634 1.00 0.40 H new ATOM 0 HE2 TYR A 35 4.897 -1.900 -5.037 1.00 0.47 H new ATOM 0 HH TYR A 35 6.101 -3.546 -5.877 1.00 0.48 H new ATOM 604 N ASP A 36 4.344 -1.745 2.849 1.00 0.32 N ATOM 605 CA ASP A 36 4.232 -1.107 4.156 1.00 0.36 C ATOM 606 C ASP A 36 5.299 -0.040 4.294 1.00 0.38 C ATOM 607 O ASP A 36 6.493 -0.319 4.175 1.00 0.50 O ATOM 608 CB ASP A 36 4.381 -2.131 5.288 1.00 0.43 C ATOM 609 CG ASP A 36 3.982 -1.588 6.657 1.00 0.57 C ATOM 610 OD1 ASP A 36 4.326 -0.429 6.983 1.00 0.90 O ATOM 611 OD2 ASP A 36 3.329 -2.337 7.424 1.00 1.28 O ATOM 0 H ASP A 36 5.005 -2.521 2.816 1.00 0.32 H new ATOM 0 HA ASP A 36 3.243 -0.655 4.231 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.770 -3.004 5.060 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.417 -2.469 5.328 1.00 0.43 H new ATOM 616 N LEU A 37 4.868 1.180 4.532 1.00 0.37 N ATOM 617 CA LEU A 37 5.789 2.288 4.691 1.00 0.43 C ATOM 618 C LEU A 37 5.402 3.108 5.907 1.00 0.37 C ATOM 619 O LEU A 37 5.818 4.256 6.055 1.00 0.40 O ATOM 620 CB LEU A 37 5.807 3.168 3.438 1.00 0.56 C ATOM 621 CG LEU A 37 4.560 4.027 3.212 1.00 0.66 C ATOM 622 CD1 LEU A 37 4.904 5.229 2.351 1.00 0.86 C ATOM 623 CD2 LEU A 37 3.453 3.208 2.563 1.00 0.80 C ATOM 0 H LEU A 37 3.883 1.432 4.620 1.00 0.37 H new ATOM 0 HA LEU A 37 6.792 1.887 4.835 1.00 0.43 H new ATOM 0 HB2 LEU A 37 6.674 3.826 3.491 1.00 0.56 H new ATOM 0 HB3 LEU A 37 5.946 2.527 2.568 1.00 0.56 H new ATOM 0 HG LEU A 37 4.201 4.378 4.179 1.00 0.66 H new ATOM 0 HD11 LEU A 37 4.010 5.833 2.196 1.00 0.86 H new ATOM 0 HD12 LEU A 37 5.665 5.828 2.850 1.00 0.86 H new ATOM 0 HD13 LEU A 37 5.284 4.890 1.387 1.00 0.86 H new ATOM 0 HD21 LEU A 37 2.576 3.837 2.411 1.00 0.80 H new ATOM 0 HD22 LEU A 37 3.798 2.828 1.601 1.00 0.80 H new ATOM 0 HD23 LEU A 37 3.192 2.372 3.211 1.00 0.80 H new ATOM 635 N THR A 38 4.633 2.500 6.801 1.00 0.34 N ATOM 636 CA THR A 38 4.176 3.183 7.999 1.00 0.36 C ATOM 637 C THR A 38 5.353 3.521 8.914 1.00 0.38 C ATOM 638 O THR A 38 5.277 4.437 9.733 1.00 0.44 O ATOM 639 CB THR A 38 3.117 2.341 8.750 1.00 0.41 C ATOM 640 OG1 THR A 38 2.082 3.198 9.244 1.00 0.48 O ATOM 641 CG2 THR A 38 3.723 1.554 9.909 1.00 0.48 C ATOM 0 H THR A 38 4.314 1.535 6.717 1.00 0.34 H new ATOM 0 HA THR A 38 3.705 4.117 7.694 1.00 0.36 H new ATOM 0 HB THR A 38 2.706 1.622 8.041 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.431 3.741 9.982 1.00 0.48 H new ATOM 0 HG21 THR A 38 2.942 0.979 10.406 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.487 0.876 9.528 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.174 2.245 10.622 1.00 0.48 H new ATOM 649 N LYS A 39 6.448 2.792 8.747 1.00 0.39 N ATOM 650 CA LYS A 39 7.642 3.012 9.547 1.00 0.47 C ATOM 651 C LYS A 39 8.671 3.818 8.761 1.00 0.47 C ATOM 652 O LYS A 39 9.784 4.050 9.231 1.00 0.59 O ATOM 653 CB LYS A 39 8.242 1.668 9.974 1.00 0.56 C ATOM 654 CG LYS A 39 7.597 1.078 11.216 1.00 0.75 C ATOM 655 CD LYS A 39 7.823 1.976 12.418 1.00 0.92 C ATOM 656 CE LYS A 39 8.137 1.178 13.672 1.00 1.27 C ATOM 657 NZ LYS A 39 8.730 2.032 14.733 1.00 1.50 N ATOM 0 H LYS A 39 6.533 2.041 8.062 1.00 0.39 H new ATOM 0 HA LYS A 39 7.365 3.577 10.437 1.00 0.47 H new ATOM 0 HB2 LYS A 39 8.143 0.959 9.152 1.00 0.56 H new ATOM 0 HB3 LYS A 39 9.309 1.798 10.156 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.528 0.948 11.049 1.00 0.75 H new ATOM 0 HG3 LYS A 39 8.012 0.089 11.412 1.00 0.75 H new ATOM 0 HD2 LYS A 39 8.644 2.662 12.209 1.00 0.92 H new ATOM 0 HD3 LYS A 39 6.935 2.585 12.588 1.00 0.92 H new ATOM 0 HE2 LYS A 39 7.224 0.714 14.046 1.00 1.27 H new ATOM 0 HE3 LYS A 39 8.827 0.371 13.426 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 8.931 1.453 15.573 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 9.614 2.455 14.385 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 8.061 2.787 14.985 1.00 1.50 H new ATOM 671 N PHE A 40 8.289 4.241 7.562 1.00 0.40 N ATOM 672 CA PHE A 40 9.184 5.002 6.700 1.00 0.44 C ATOM 673 C PHE A 40 8.503 6.266 6.182 1.00 0.40 C ATOM 674 O PHE A 40 9.004 6.916 5.269 1.00 0.42 O ATOM 675 CB PHE A 40 9.632 4.137 5.513 1.00 0.52 C ATOM 676 CG PHE A 40 10.583 3.028 5.881 1.00 1.16 C ATOM 677 CD1 PHE A 40 10.125 1.882 6.514 1.00 1.66 C ATOM 678 CD2 PHE A 40 11.933 3.132 5.594 1.00 1.77 C ATOM 679 CE1 PHE A 40 10.997 0.864 6.854 1.00 2.39 C ATOM 680 CE2 PHE A 40 12.809 2.117 5.932 1.00 2.45 C ATOM 681 CZ PHE A 40 12.341 0.983 6.564 1.00 2.68 C ATOM 0 H PHE A 40 7.365 4.070 7.165 1.00 0.40 H new ATOM 0 HA PHE A 40 10.054 5.293 7.289 1.00 0.44 H new ATOM 0 HB2 PHE A 40 8.751 3.703 5.041 1.00 0.52 H new ATOM 0 HB3 PHE A 40 10.108 4.777 4.771 1.00 0.52 H new ATOM 0 HD1 PHE A 40 9.074 1.783 6.744 1.00 1.66 H new ATOM 0 HD2 PHE A 40 12.307 4.017 5.100 1.00 1.77 H new ATOM 0 HE1 PHE A 40 10.627 -0.023 7.346 1.00 2.39 H new ATOM 0 HE2 PHE A 40 13.860 2.212 5.701 1.00 2.45 H new ATOM 0 HZ PHE A 40 13.025 0.191 6.831 1.00 2.68 H new ATOM 691 N LEU A 41 7.369 6.616 6.776 1.00 0.39 N ATOM 692 CA LEU A 41 6.617 7.802 6.364 1.00 0.43 C ATOM 693 C LEU A 41 7.449 9.074 6.520 1.00 0.44 C ATOM 694 O LEU A 41 7.463 9.934 5.642 1.00 0.47 O ATOM 695 CB LEU A 41 5.328 7.927 7.183 1.00 0.49 C ATOM 696 CG LEU A 41 4.241 6.905 6.847 1.00 0.48 C ATOM 697 CD1 LEU A 41 3.129 6.953 7.883 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.682 7.154 5.452 1.00 0.59 C ATOM 0 H LEU A 41 6.947 6.097 7.546 1.00 0.39 H new ATOM 0 HA LEU A 41 6.368 7.683 5.310 1.00 0.43 H new ATOM 0 HB2 LEU A 41 5.578 7.834 8.240 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.920 8.928 7.039 1.00 0.49 H new ATOM 0 HG LEU A 41 4.687 5.911 6.864 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.363 6.220 7.629 1.00 0.55 H new ATOM 0 HD12 LEU A 41 3.538 6.725 8.867 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.687 7.949 7.896 1.00 0.55 H new ATOM 0 HD21 LEU A 41 2.910 6.416 5.232 1.00 0.59 H new ATOM 0 HD22 LEU A 41 3.252 8.154 5.406 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.484 7.070 4.718 1.00 0.59 H new ATOM 710 N GLU A 42 8.154 9.171 7.637 1.00 0.49 N ATOM 711 CA GLU A 42 8.992 10.330 7.923 1.00 0.56 C ATOM 712 C GLU A 42 10.362 10.188 7.266 1.00 0.54 C ATOM 713 O GLU A 42 11.147 11.132 7.237 1.00 0.66 O ATOM 714 CB GLU A 42 9.147 10.495 9.435 1.00 0.67 C ATOM 715 CG GLU A 42 9.519 9.205 10.148 1.00 0.72 C ATOM 716 CD GLU A 42 9.588 9.364 11.649 1.00 0.93 C ATOM 717 OE1 GLU A 42 8.524 9.512 12.288 1.00 1.40 O ATOM 718 OE2 GLU A 42 10.707 9.326 12.201 1.00 1.50 O ATOM 0 H GLU A 42 8.163 8.457 8.366 1.00 0.49 H new ATOM 0 HA GLU A 42 8.509 11.216 7.511 1.00 0.56 H new ATOM 0 HB2 GLU A 42 9.912 11.245 9.635 1.00 0.67 H new ATOM 0 HB3 GLU A 42 8.213 10.874 9.849 1.00 0.67 H new ATOM 0 HG2 GLU A 42 8.787 8.435 9.902 1.00 0.72 H new ATOM 0 HG3 GLU A 42 10.484 8.857 9.779 1.00 0.72 H new ATOM 725 N GLU A 43 10.638 9.001 6.741 1.00 0.48 N ATOM 726 CA GLU A 43 11.911 8.736 6.085 1.00 0.50 C ATOM 727 C GLU A 43 11.782 8.923 4.579 1.00 0.43 C ATOM 728 O GLU A 43 12.746 8.764 3.832 1.00 0.54 O ATOM 729 CB GLU A 43 12.388 7.317 6.394 1.00 0.58 C ATOM 730 CG GLU A 43 12.471 7.009 7.877 1.00 0.76 C ATOM 731 CD GLU A 43 13.608 6.063 8.206 1.00 0.96 C ATOM 732 OE1 GLU A 43 13.445 4.837 8.030 1.00 1.56 O ATOM 733 OE2 GLU A 43 14.676 6.546 8.634 1.00 1.46 O ATOM 0 H GLU A 43 9.998 8.207 6.757 1.00 0.48 H new ATOM 0 HA GLU A 43 12.646 9.445 6.467 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.711 6.605 5.922 1.00 0.58 H new ATOM 0 HB3 GLU A 43 13.370 7.168 5.946 1.00 0.58 H new ATOM 0 HG2 GLU A 43 12.602 7.938 8.432 1.00 0.76 H new ATOM 0 HG3 GLU A 43 11.529 6.571 8.208 1.00 0.76 H new ATOM 740 N HIS A 44 10.577 9.254 4.145 1.00 0.43 N ATOM 741 CA HIS A 44 10.295 9.466 2.736 1.00 0.39 C ATOM 742 C HIS A 44 10.572 10.919 2.359 1.00 0.43 C ATOM 743 O HIS A 44 10.135 11.839 3.056 1.00 0.51 O ATOM 744 CB HIS A 44 8.834 9.103 2.443 1.00 0.41 C ATOM 745 CG HIS A 44 8.479 9.100 0.990 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.859 10.150 0.353 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.666 8.144 0.045 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.693 9.813 -0.929 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.166 8.605 -1.170 1.00 0.41 N ATOM 0 H HIS A 44 9.771 9.383 4.756 1.00 0.43 H new ATOM 0 HA HIS A 44 10.944 8.826 2.138 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.627 8.116 2.857 1.00 0.41 H new ATOM 0 HB3 HIS A 44 8.186 9.809 2.962 1.00 0.41 H new ATOM 0 HD1 HIS A 44 7.576 11.030 0.784 1.00 0.42 H new ATOM 0 HD2 HIS A 44 9.128 7.182 0.209 1.00 0.41 H new ATOM 0 HE1 HIS A 44 7.232 10.447 -1.672 1.00 0.40 H new ATOM 757 N PRO A 45 11.302 11.146 1.252 1.00 0.44 N ATOM 758 CA PRO A 45 11.627 12.497 0.794 1.00 0.53 C ATOM 759 C PRO A 45 10.408 13.226 0.236 1.00 0.62 C ATOM 760 O PRO A 45 9.421 12.601 -0.161 1.00 1.11 O ATOM 761 CB PRO A 45 12.670 12.259 -0.301 1.00 0.58 C ATOM 762 CG PRO A 45 12.392 10.887 -0.806 1.00 0.56 C ATOM 763 CD PRO A 45 11.861 10.107 0.361 1.00 0.44 C ATOM 0 HA PRO A 45 11.985 13.132 1.605 1.00 0.53 H new ATOM 0 HB2 PRO A 45 12.582 12.998 -1.097 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.683 12.336 0.095 1.00 0.58 H new ATOM 0 HG2 PRO A 45 11.667 10.912 -1.619 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.298 10.427 -1.201 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.098 9.393 0.051 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.649 9.538 0.854 1.00 0.44 H new ATOM 771 N GLY A 46 10.468 14.547 0.228 1.00 0.75 N ATOM 772 CA GLY A 46 9.365 15.337 -0.280 1.00 0.82 C ATOM 773 C GLY A 46 8.337 15.650 0.790 1.00 0.83 C ATOM 774 O GLY A 46 7.996 16.810 1.012 1.00 1.38 O ATOM 0 H GLY A 46 11.263 15.089 0.565 1.00 0.75 H new ATOM 0 HA2 GLY A 46 9.750 16.269 -0.694 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.883 14.800 -1.097 1.00 0.82 H new ATOM 778 N GLY A 47 7.840 14.616 1.451 1.00 0.66 N ATOM 779 CA GLY A 47 6.858 14.810 2.493 1.00 0.67 C ATOM 780 C GLY A 47 6.040 13.565 2.745 1.00 0.60 C ATOM 781 O GLY A 47 6.179 12.569 2.032 1.00 0.64 O ATOM 0 H GLY A 47 8.101 13.644 1.283 1.00 0.66 H new ATOM 0 HA2 GLY A 47 7.361 15.105 3.414 1.00 0.67 H new ATOM 0 HA3 GLY A 47 6.194 15.629 2.216 1.00 0.67 H new ATOM 785 N GLU A 48 5.177 13.625 3.750 1.00 0.61 N ATOM 786 CA GLU A 48 4.336 12.493 4.108 1.00 0.63 C ATOM 787 C GLU A 48 2.887 12.735 3.695 1.00 0.63 C ATOM 788 O GLU A 48 2.089 11.799 3.623 1.00 0.65 O ATOM 789 CB GLU A 48 4.413 12.235 5.614 1.00 0.76 C ATOM 790 CG GLU A 48 3.856 13.370 6.457 1.00 0.95 C ATOM 791 CD GLU A 48 4.106 13.171 7.935 1.00 1.21 C ATOM 792 OE1 GLU A 48 3.390 12.363 8.564 1.00 1.79 O ATOM 793 OE2 GLU A 48 5.019 13.825 8.478 1.00 1.86 O ATOM 0 H GLU A 48 5.041 14.450 4.334 1.00 0.61 H new ATOM 0 HA GLU A 48 4.703 11.616 3.574 1.00 0.63 H new ATOM 0 HB2 GLU A 48 3.867 11.320 5.845 1.00 0.76 H new ATOM 0 HB3 GLU A 48 5.453 12.064 5.892 1.00 0.76 H new ATOM 0 HG2 GLU A 48 4.307 14.310 6.139 1.00 0.95 H new ATOM 0 HG3 GLU A 48 2.784 13.456 6.282 1.00 0.95 H new ATOM 800 N GLU A 49 2.557 13.993 3.411 1.00 0.66 N ATOM 801 CA GLU A 49 1.201 14.363 3.019 1.00 0.74 C ATOM 802 C GLU A 49 0.768 13.605 1.768 1.00 0.68 C ATOM 803 O GLU A 49 -0.338 13.069 1.705 1.00 0.72 O ATOM 804 CB GLU A 49 1.114 15.870 2.771 1.00 0.86 C ATOM 805 CG GLU A 49 -0.304 16.414 2.826 1.00 1.10 C ATOM 806 CD GLU A 49 -0.864 16.423 4.233 1.00 1.32 C ATOM 807 OE1 GLU A 49 -0.480 17.313 5.018 1.00 1.81 O ATOM 808 OE2 GLU A 49 -1.693 15.547 4.561 1.00 1.69 O ATOM 0 H GLU A 49 3.212 14.774 3.445 1.00 0.66 H new ATOM 0 HA GLU A 49 0.529 14.095 3.834 1.00 0.74 H new ATOM 0 HB2 GLU A 49 1.722 16.388 3.513 1.00 0.86 H new ATOM 0 HB3 GLU A 49 1.543 16.095 1.794 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -0.317 17.428 2.426 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -0.947 15.810 2.186 1.00 1.10 H new ATOM 815 N VAL A 50 1.662 13.535 0.793 1.00 0.63 N ATOM 816 CA VAL A 50 1.382 12.848 -0.463 1.00 0.60 C ATOM 817 C VAL A 50 1.163 11.350 -0.249 1.00 0.54 C ATOM 818 O VAL A 50 0.510 10.687 -1.051 1.00 0.54 O ATOM 819 CB VAL A 50 2.519 13.058 -1.489 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.568 14.507 -1.946 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.864 12.638 -0.912 1.00 0.62 C ATOM 0 H VAL A 50 2.593 13.948 0.847 1.00 0.63 H new ATOM 0 HA VAL A 50 0.464 13.284 -0.858 1.00 0.60 H new ATOM 0 HB VAL A 50 2.309 12.427 -2.353 1.00 0.64 H new ATOM 0 HG11 VAL A 50 3.375 14.634 -2.668 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.619 14.774 -2.412 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.745 15.154 -1.087 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.645 12.797 -1.656 1.00 0.62 H new ATOM 0 HG22 VAL A 50 4.081 13.233 -0.025 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.830 11.583 -0.641 1.00 0.62 H new ATOM 831 N LEU A 51 1.689 10.829 0.848 1.00 0.52 N ATOM 832 CA LEU A 51 1.560 9.413 1.156 1.00 0.50 C ATOM 833 C LEU A 51 0.289 9.132 1.945 1.00 0.53 C ATOM 834 O LEU A 51 -0.400 8.148 1.694 1.00 0.55 O ATOM 835 CB LEU A 51 2.769 8.937 1.958 1.00 0.48 C ATOM 836 CG LEU A 51 4.124 9.187 1.305 1.00 0.46 C ATOM 837 CD1 LEU A 51 5.237 8.935 2.306 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.297 8.303 0.082 1.00 0.47 C ATOM 0 H LEU A 51 2.210 11.366 1.541 1.00 0.52 H new ATOM 0 HA LEU A 51 1.508 8.871 0.211 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.756 9.430 2.930 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.664 7.868 2.141 1.00 0.48 H new ATOM 0 HG LEU A 51 4.171 10.227 0.983 1.00 0.46 H new ATOM 0 HD11 LEU A 51 6.201 9.116 1.831 1.00 0.49 H new ATOM 0 HD12 LEU A 51 5.120 9.606 3.157 1.00 0.49 H new ATOM 0 HD13 LEU A 51 5.190 7.902 2.650 1.00 0.49 H new ATOM 0 HD21 LEU A 51 5.270 8.495 -0.371 1.00 0.47 H new ATOM 0 HD22 LEU A 51 4.235 7.256 0.378 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.511 8.523 -0.640 1.00 0.47 H new ATOM 850 N ARG A 52 -0.027 10.011 2.888 1.00 0.59 N ATOM 851 CA ARG A 52 -1.207 9.839 3.730 1.00 0.66 C ATOM 852 C ARG A 52 -2.502 9.958 2.929 1.00 0.65 C ATOM 853 O ARG A 52 -3.519 9.373 3.301 1.00 0.69 O ATOM 854 CB ARG A 52 -1.195 10.841 4.893 1.00 0.79 C ATOM 855 CG ARG A 52 -1.478 12.281 4.492 1.00 0.97 C ATOM 856 CD ARG A 52 -2.865 12.721 4.940 1.00 1.22 C ATOM 857 NE ARG A 52 -3.080 12.477 6.363 1.00 1.50 N ATOM 858 CZ ARG A 52 -2.834 13.371 7.324 1.00 1.90 C ATOM 859 NH1 ARG A 52 -2.380 14.584 7.018 1.00 2.00 N ATOM 860 NH2 ARG A 52 -3.041 13.049 8.594 1.00 2.61 N ATOM 0 H ARG A 52 0.516 10.850 3.090 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.169 8.829 4.139 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -1.936 10.531 5.630 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.222 10.798 5.382 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -0.727 12.937 4.932 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -1.395 12.382 3.410 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -2.995 13.783 4.730 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -3.620 12.187 4.362 1.00 1.22 H new ATOM 0 HE ARG A 52 -3.441 11.565 6.641 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -2.217 14.837 6.043 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -2.195 15.261 7.758 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -3.387 12.120 8.835 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -2.854 13.730 9.330 1.00 2.61 H new ATOM 874 N GLU A 53 -2.468 10.707 1.830 1.00 0.64 N ATOM 875 CA GLU A 53 -3.657 10.872 0.999 1.00 0.68 C ATOM 876 C GLU A 53 -3.781 9.731 -0.006 1.00 0.65 C ATOM 877 O GLU A 53 -4.838 9.523 -0.603 1.00 0.78 O ATOM 878 CB GLU A 53 -3.645 12.226 0.277 1.00 0.72 C ATOM 879 CG GLU A 53 -2.513 12.387 -0.726 1.00 0.67 C ATOM 880 CD GLU A 53 -2.915 13.217 -1.927 1.00 0.81 C ATOM 881 OE1 GLU A 53 -3.574 12.670 -2.835 1.00 1.35 O ATOM 882 OE2 GLU A 53 -2.581 14.422 -1.969 1.00 1.26 O ATOM 0 H GLU A 53 -1.641 11.204 1.497 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.526 10.847 1.656 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.595 12.358 -0.240 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -3.573 13.021 1.020 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.660 12.855 -0.234 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.187 11.403 -1.062 1.00 0.67 H new ATOM 889 N GLN A 54 -2.701 8.987 -0.182 1.00 0.57 N ATOM 890 CA GLN A 54 -2.692 7.864 -1.107 1.00 0.58 C ATOM 891 C GLN A 54 -2.684 6.552 -0.336 1.00 0.57 C ATOM 892 O GLN A 54 -2.633 5.469 -0.921 1.00 0.60 O ATOM 893 CB GLN A 54 -1.479 7.941 -2.035 1.00 0.57 C ATOM 894 CG GLN A 54 -1.520 9.122 -2.994 1.00 0.64 C ATOM 895 CD GLN A 54 -2.637 9.007 -4.015 1.00 0.81 C ATOM 896 OE1 GLN A 54 -2.446 8.458 -5.095 1.00 1.13 O ATOM 897 NE2 GLN A 54 -3.807 9.535 -3.686 1.00 0.96 N ATOM 0 H GLN A 54 -1.818 9.140 0.304 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.594 7.909 -1.717 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.574 8.005 -1.431 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.413 7.018 -2.611 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.647 10.043 -2.425 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -0.565 9.197 -3.513 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -3.927 9.983 -2.778 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -4.588 9.493 -4.341 1.00 0.96 H new ATOM 906 N ALA A 55 -2.736 6.664 0.984 1.00 0.58 N ATOM 907 CA ALA A 55 -2.735 5.506 1.857 1.00 0.60 C ATOM 908 C ALA A 55 -4.012 4.698 1.675 1.00 0.61 C ATOM 909 O ALA A 55 -5.114 5.244 1.727 1.00 0.68 O ATOM 910 CB ALA A 55 -2.586 5.946 3.304 1.00 0.65 C ATOM 0 H ALA A 55 -2.780 7.557 1.475 1.00 0.58 H new ATOM 0 HA ALA A 55 -1.889 4.871 1.594 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -2.586 5.070 3.953 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -1.647 6.487 3.425 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.417 6.597 3.574 1.00 0.65 H new ATOM 916 N GLY A 56 -3.855 3.400 1.453 1.00 0.59 N ATOM 917 CA GLY A 56 -5.000 2.536 1.257 1.00 0.64 C ATOM 918 C GLY A 56 -5.508 2.583 -0.171 1.00 0.62 C ATOM 919 O GLY A 56 -6.548 2.006 -0.490 1.00 0.66 O ATOM 0 H GLY A 56 -2.951 2.929 1.405 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -4.729 1.511 1.512 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -5.799 2.833 1.936 1.00 0.64 H new ATOM 923 N GLY A 57 -4.774 3.273 -1.032 1.00 0.63 N ATOM 924 CA GLY A 57 -5.169 3.382 -2.417 1.00 0.65 C ATOM 925 C GLY A 57 -4.025 3.089 -3.359 1.00 0.59 C ATOM 926 O GLY A 57 -2.891 2.874 -2.922 1.00 0.55 O ATOM 0 H GLY A 57 -3.910 3.760 -0.793 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -5.988 2.690 -2.616 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.547 4.386 -2.608 1.00 0.65 H new ATOM 930 N ASP A 58 -4.323 3.076 -4.648 1.00 0.65 N ATOM 931 CA ASP A 58 -3.320 2.812 -5.669 1.00 0.62 C ATOM 932 C ASP A 58 -2.700 4.114 -6.140 1.00 0.61 C ATOM 933 O ASP A 58 -3.401 5.026 -6.587 1.00 0.71 O ATOM 934 CB ASP A 58 -3.946 2.070 -6.850 1.00 0.69 C ATOM 935 CG ASP A 58 -2.937 1.689 -7.920 1.00 0.99 C ATOM 936 OD1 ASP A 58 -1.733 1.946 -7.741 1.00 1.32 O ATOM 937 OD2 ASP A 58 -3.356 1.125 -8.949 1.00 1.51 O ATOM 0 H ASP A 58 -5.259 3.247 -5.015 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.540 2.185 -5.238 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.437 1.168 -6.485 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.719 2.696 -7.295 1.00 0.69 H new ATOM 942 N ALA A 59 -1.388 4.201 -6.037 1.00 0.55 N ATOM 943 CA ALA A 59 -0.674 5.395 -6.445 1.00 0.57 C ATOM 944 C ALA A 59 0.301 5.096 -7.573 1.00 0.54 C ATOM 945 O ALA A 59 1.246 5.855 -7.798 1.00 0.54 O ATOM 946 CB ALA A 59 0.058 6.008 -5.264 1.00 0.60 C ATOM 0 H ALA A 59 -0.793 3.456 -5.673 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.407 6.112 -6.814 1.00 0.57 H new ATOM 0 HB1 ALA A 59 0.588 6.903 -5.589 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -0.661 6.274 -4.489 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.773 5.288 -4.865 1.00 0.60 H new ATOM 952 N THR A 60 0.070 3.995 -8.287 1.00 0.56 N ATOM 953 CA THR A 60 0.931 3.608 -9.401 1.00 0.57 C ATOM 954 C THR A 60 1.071 4.753 -10.406 1.00 0.57 C ATOM 955 O THR A 60 2.153 4.989 -10.941 1.00 0.58 O ATOM 956 CB THR A 60 0.387 2.352 -10.116 1.00 0.64 C ATOM 957 OG1 THR A 60 0.257 1.282 -9.172 1.00 0.67 O ATOM 958 CG2 THR A 60 1.301 1.918 -11.254 1.00 0.71 C ATOM 0 H THR A 60 -0.706 3.356 -8.113 1.00 0.56 H new ATOM 0 HA THR A 60 1.913 3.377 -8.989 1.00 0.57 H new ATOM 0 HB THR A 60 -0.587 2.599 -10.539 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.517 1.448 -8.594 1.00 0.67 H new ATOM 0 HG21 THR A 60 0.888 1.031 -11.735 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.380 2.723 -11.984 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.290 1.688 -10.859 1.00 0.71 H new ATOM 966 N GLU A 61 -0.024 5.479 -10.626 1.00 0.62 N ATOM 967 CA GLU A 61 -0.029 6.609 -11.552 1.00 0.67 C ATOM 968 C GLU A 61 1.002 7.660 -11.141 1.00 0.63 C ATOM 969 O GLU A 61 1.655 8.266 -11.987 1.00 0.74 O ATOM 970 CB GLU A 61 -1.433 7.235 -11.631 1.00 0.78 C ATOM 971 CG GLU A 61 -2.072 7.511 -10.273 1.00 0.83 C ATOM 972 CD GLU A 61 -3.523 7.941 -10.385 1.00 1.06 C ATOM 973 OE1 GLU A 61 -4.330 7.176 -10.951 1.00 1.48 O ATOM 974 OE2 GLU A 61 -3.866 9.046 -9.907 1.00 1.64 O ATOM 0 H GLU A 61 -0.921 5.304 -10.174 1.00 0.62 H new ATOM 0 HA GLU A 61 0.243 6.237 -12.540 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -1.371 8.170 -12.188 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.084 6.569 -12.198 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.010 6.613 -9.658 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -1.505 8.289 -9.761 1.00 0.83 H new ATOM 981 N ASN A 62 1.166 7.851 -9.836 1.00 0.56 N ATOM 982 CA ASN A 62 2.118 8.829 -9.322 1.00 0.55 C ATOM 983 C ASN A 62 3.526 8.254 -9.326 1.00 0.50 C ATOM 984 O ASN A 62 4.494 8.971 -9.556 1.00 0.50 O ATOM 985 CB ASN A 62 1.753 9.262 -7.898 1.00 0.58 C ATOM 986 CG ASN A 62 0.327 9.772 -7.767 1.00 0.82 C ATOM 987 OD1 ASN A 62 -0.270 10.266 -8.726 1.00 1.28 O ATOM 988 ND2 ASN A 62 -0.232 9.652 -6.572 1.00 1.32 N ATOM 0 H ASN A 62 0.653 7.342 -9.116 1.00 0.56 H new ATOM 0 HA ASN A 62 2.078 9.701 -9.975 1.00 0.55 H new ATOM 0 HB2 ASN A 62 1.892 8.418 -7.223 1.00 0.58 H new ATOM 0 HB3 ASN A 62 2.441 10.044 -7.577 1.00 0.58 H new ATOM 0 HD21 ASN A 62 -1.188 9.974 -6.422 1.00 1.32 H new ATOM 0 HD22 ASN A 62 0.294 9.238 -5.802 1.00 1.32 H new ATOM 995 N PHE A 63 3.628 6.955 -9.071 1.00 0.48 N ATOM 996 CA PHE A 63 4.919 6.271 -9.035 1.00 0.46 C ATOM 997 C PHE A 63 5.662 6.449 -10.356 1.00 0.49 C ATOM 998 O PHE A 63 6.840 6.825 -10.374 1.00 0.50 O ATOM 999 CB PHE A 63 4.716 4.780 -8.742 1.00 0.48 C ATOM 1000 CG PHE A 63 5.972 4.057 -8.326 1.00 0.51 C ATOM 1001 CD1 PHE A 63 6.346 3.999 -6.990 1.00 0.63 C ATOM 1002 CD2 PHE A 63 6.774 3.436 -9.270 1.00 0.70 C ATOM 1003 CE1 PHE A 63 7.497 3.336 -6.607 1.00 0.76 C ATOM 1004 CE2 PHE A 63 7.928 2.772 -8.890 1.00 0.77 C ATOM 1005 CZ PHE A 63 8.289 2.722 -7.558 1.00 0.73 C ATOM 0 H PHE A 63 2.828 6.350 -8.885 1.00 0.48 H new ATOM 0 HA PHE A 63 5.520 6.712 -8.240 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.971 4.674 -7.954 1.00 0.48 H new ATOM 0 HB3 PHE A 63 4.310 4.298 -9.631 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.731 4.477 -6.242 1.00 0.63 H new ATOM 0 HD2 PHE A 63 6.496 3.470 -10.313 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.777 3.298 -5.565 1.00 0.76 H new ATOM 0 HE2 PHE A 63 8.546 2.293 -9.635 1.00 0.77 H new ATOM 0 HZ PHE A 63 9.189 2.204 -7.260 1.00 0.73 H new ATOM 1015 N GLU A 64 4.964 6.183 -11.455 1.00 0.53 N ATOM 1016 CA GLU A 64 5.543 6.318 -12.787 1.00 0.58 C ATOM 1017 C GLU A 64 5.783 7.792 -13.113 1.00 0.57 C ATOM 1018 O GLU A 64 6.766 8.143 -13.767 1.00 0.65 O ATOM 1019 CB GLU A 64 4.616 5.703 -13.844 1.00 0.69 C ATOM 1020 CG GLU A 64 3.925 4.422 -13.401 1.00 1.08 C ATOM 1021 CD GLU A 64 4.872 3.247 -13.270 1.00 1.47 C ATOM 1022 OE1 GLU A 64 5.203 2.631 -14.304 1.00 1.89 O ATOM 1023 OE2 GLU A 64 5.273 2.918 -12.133 1.00 1.88 O ATOM 0 H GLU A 64 3.993 5.871 -11.449 1.00 0.53 H new ATOM 0 HA GLU A 64 6.495 5.787 -12.800 1.00 0.58 H new ATOM 0 HB2 GLU A 64 3.857 6.436 -14.116 1.00 0.69 H new ATOM 0 HB3 GLU A 64 5.196 5.497 -14.743 1.00 0.69 H new ATOM 0 HG2 GLU A 64 3.435 4.594 -12.443 1.00 1.08 H new ATOM 0 HG3 GLU A 64 3.143 4.172 -14.118 1.00 1.08 H new ATOM 1030 N ASP A 65 4.881 8.646 -12.633 1.00 0.54 N ATOM 1031 CA ASP A 65 4.965 10.091 -12.865 1.00 0.55 C ATOM 1032 C ASP A 65 6.201 10.693 -12.206 1.00 0.53 C ATOM 1033 O ASP A 65 6.906 11.501 -12.809 1.00 0.58 O ATOM 1034 CB ASP A 65 3.708 10.783 -12.332 1.00 0.57 C ATOM 1035 CG ASP A 65 3.727 12.286 -12.542 1.00 0.69 C ATOM 1036 OD1 ASP A 65 3.415 12.738 -13.665 1.00 0.88 O ATOM 1037 OD2 ASP A 65 4.033 13.027 -11.580 1.00 0.79 O ATOM 0 H ASP A 65 4.076 8.361 -12.076 1.00 0.54 H new ATOM 0 HA ASP A 65 5.043 10.250 -13.941 1.00 0.55 H new ATOM 0 HB2 ASP A 65 2.831 10.363 -12.826 1.00 0.57 H new ATOM 0 HB3 ASP A 65 3.606 10.571 -11.268 1.00 0.57 H new ATOM 1042 N VAL A 66 6.451 10.300 -10.965 1.00 0.50 N ATOM 1043 CA VAL A 66 7.601 10.794 -10.217 1.00 0.52 C ATOM 1044 C VAL A 66 8.905 10.284 -10.817 1.00 0.50 C ATOM 1045 O VAL A 66 9.915 10.992 -10.828 1.00 0.55 O ATOM 1046 CB VAL A 66 7.522 10.376 -8.727 1.00 0.56 C ATOM 1047 CG1 VAL A 66 8.801 10.735 -7.986 1.00 0.67 C ATOM 1048 CG2 VAL A 66 6.321 11.021 -8.056 1.00 0.60 C ATOM 0 H VAL A 66 5.870 9.637 -10.452 1.00 0.50 H new ATOM 0 HA VAL A 66 7.582 11.882 -10.280 1.00 0.52 H new ATOM 0 HB VAL A 66 7.404 9.293 -8.689 1.00 0.56 H new ATOM 0 HG11 VAL A 66 8.715 10.429 -6.943 1.00 0.67 H new ATOM 0 HG12 VAL A 66 9.645 10.221 -8.447 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.961 11.812 -8.036 1.00 0.67 H new ATOM 0 HG21 VAL A 66 6.281 10.716 -7.010 1.00 0.60 H new ATOM 0 HG22 VAL A 66 6.410 12.106 -8.115 1.00 0.60 H new ATOM 0 HG23 VAL A 66 5.408 10.704 -8.561 1.00 0.60 H new ATOM 1058 N GLY A 67 8.871 9.062 -11.333 1.00 0.50 N ATOM 1059 CA GLY A 67 10.060 8.476 -11.915 1.00 0.54 C ATOM 1060 C GLY A 67 11.044 8.062 -10.845 1.00 0.54 C ATOM 1061 O GLY A 67 12.125 8.635 -10.729 1.00 0.82 O ATOM 0 H GLY A 67 8.042 8.468 -11.358 1.00 0.50 H new ATOM 0 HA2 GLY A 67 9.785 7.609 -12.515 1.00 0.54 H new ATOM 0 HA3 GLY A 67 10.530 9.193 -12.588 1.00 0.54 H new ATOM 1065 N HIS A 68 10.657 7.069 -10.059 1.00 0.45 N ATOM 1066 CA HIS A 68 11.496 6.575 -8.972 1.00 0.42 C ATOM 1067 C HIS A 68 12.781 5.958 -9.509 1.00 0.47 C ATOM 1068 O HIS A 68 12.774 5.295 -10.551 1.00 0.58 O ATOM 1069 CB HIS A 68 10.726 5.549 -8.138 1.00 0.39 C ATOM 1070 CG HIS A 68 9.761 6.169 -7.175 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.594 6.802 -7.551 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.809 6.248 -5.822 1.00 0.41 C ATOM 1073 CE1 HIS A 68 7.989 7.240 -6.440 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.685 6.929 -5.365 1.00 0.40 N ATOM 0 H HIS A 68 9.764 6.586 -10.152 1.00 0.45 H new ATOM 0 HA HIS A 68 11.765 7.420 -8.339 1.00 0.42 H new ATOM 0 HB2 HIS A 68 10.182 4.882 -8.807 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.436 4.935 -7.584 1.00 0.39 H new ATOM 0 HD1 HIS A 68 8.253 6.916 -8.506 1.00 0.35 H new ATOM 0 HD2 HIS A 68 10.594 5.846 -5.199 1.00 0.41 H new ATOM 0 HE1 HIS A 68 7.053 7.778 -6.426 1.00 0.35 H new ATOM 1082 N SER A 69 13.875 6.183 -8.798 1.00 0.45 N ATOM 1083 CA SER A 69 15.172 5.658 -9.198 1.00 0.50 C ATOM 1084 C SER A 69 15.227 4.135 -9.087 1.00 0.50 C ATOM 1085 O SER A 69 14.364 3.510 -8.461 1.00 0.46 O ATOM 1086 CB SER A 69 16.271 6.281 -8.336 1.00 0.55 C ATOM 1087 OG SER A 69 15.985 6.118 -6.956 1.00 1.01 O ATOM 0 H SER A 69 13.890 6.729 -7.936 1.00 0.45 H new ATOM 0 HA SER A 69 15.329 5.920 -10.244 1.00 0.50 H new ATOM 0 HB2 SER A 69 17.229 5.817 -8.570 1.00 0.55 H new ATOM 0 HB3 SER A 69 16.365 7.342 -8.569 1.00 0.55 H new ATOM 0 HG SER A 69 15.096 6.480 -6.761 1.00 1.01 H new ATOM 1093 N THR A 70 16.252 3.543 -9.689 1.00 0.59 N ATOM 1094 CA THR A 70 16.438 2.101 -9.657 1.00 0.64 C ATOM 1095 C THR A 70 16.643 1.603 -8.226 1.00 0.61 C ATOM 1096 O THR A 70 16.240 0.496 -7.881 1.00 0.66 O ATOM 1097 CB THR A 70 17.644 1.693 -10.519 1.00 0.78 C ATOM 1098 OG1 THR A 70 17.899 2.707 -11.502 1.00 0.89 O ATOM 1099 CG2 THR A 70 17.391 0.358 -11.207 1.00 1.08 C ATOM 0 H THR A 70 16.971 4.046 -10.209 1.00 0.59 H new ATOM 0 HA THR A 70 15.535 1.643 -10.061 1.00 0.64 H new ATOM 0 HB THR A 70 18.514 1.586 -9.871 1.00 0.78 H new ATOM 0 HG1 THR A 70 18.559 3.342 -11.153 1.00 0.89 H new ATOM 0 HG21 THR A 70 18.258 0.090 -11.811 1.00 1.08 H new ATOM 0 HG22 THR A 70 17.221 -0.412 -10.455 1.00 1.08 H new ATOM 0 HG23 THR A 70 16.513 0.440 -11.848 1.00 1.08 H new ATOM 1107 N ASP A 71 17.253 2.439 -7.396 1.00 0.60 N ATOM 1108 CA ASP A 71 17.506 2.090 -6.002 1.00 0.61 C ATOM 1109 C ASP A 71 16.219 2.166 -5.187 1.00 0.54 C ATOM 1110 O ASP A 71 16.000 1.368 -4.271 1.00 0.56 O ATOM 1111 CB ASP A 71 18.558 3.028 -5.404 1.00 0.70 C ATOM 1112 CG ASP A 71 18.591 2.983 -3.886 1.00 0.97 C ATOM 1113 OD1 ASP A 71 18.990 1.943 -3.322 1.00 1.38 O ATOM 1114 OD2 ASP A 71 18.222 3.995 -3.249 1.00 1.29 O ATOM 0 H ASP A 71 17.583 3.366 -7.664 1.00 0.60 H new ATOM 0 HA ASP A 71 17.881 1.067 -5.967 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.540 2.760 -5.792 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.355 4.049 -5.728 1.00 0.70 H new ATOM 1119 N ALA A 72 15.367 3.119 -5.542 1.00 0.48 N ATOM 1120 CA ALA A 72 14.100 3.318 -4.853 1.00 0.44 C ATOM 1121 C ALA A 72 13.209 2.085 -4.948 1.00 0.42 C ATOM 1122 O ALA A 72 12.704 1.596 -3.939 1.00 0.43 O ATOM 1123 CB ALA A 72 13.381 4.530 -5.416 1.00 0.47 C ATOM 0 H ALA A 72 15.533 3.770 -6.309 1.00 0.48 H new ATOM 0 HA ALA A 72 14.319 3.489 -3.799 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.435 4.668 -4.892 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.002 5.416 -5.283 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.189 4.378 -6.478 1.00 0.47 H new ATOM 1129 N ARG A 73 13.028 1.575 -6.164 1.00 0.44 N ATOM 1130 CA ARG A 73 12.188 0.395 -6.382 1.00 0.48 C ATOM 1131 C ARG A 73 12.770 -0.836 -5.690 1.00 0.49 C ATOM 1132 O ARG A 73 12.042 -1.766 -5.344 1.00 0.56 O ATOM 1133 CB ARG A 73 11.999 0.130 -7.882 1.00 0.54 C ATOM 1134 CG ARG A 73 13.297 0.064 -8.675 1.00 0.68 C ATOM 1135 CD ARG A 73 13.704 -1.370 -8.981 1.00 0.74 C ATOM 1136 NE ARG A 73 12.973 -1.921 -10.122 1.00 0.90 N ATOM 1137 CZ ARG A 73 12.971 -3.212 -10.454 1.00 1.08 C ATOM 1138 NH1 ARG A 73 13.632 -4.098 -9.716 1.00 1.08 N ATOM 1139 NH2 ARG A 73 12.302 -3.614 -11.529 1.00 1.36 N ATOM 0 H ARG A 73 13.449 1.957 -7.011 1.00 0.44 H new ATOM 0 HA ARG A 73 11.212 0.598 -5.941 1.00 0.48 H new ATOM 0 HB2 ARG A 73 11.462 -0.810 -8.008 1.00 0.54 H new ATOM 0 HB3 ARG A 73 11.370 0.915 -8.301 1.00 0.54 H new ATOM 0 HG2 ARG A 73 13.180 0.615 -9.608 1.00 0.68 H new ATOM 0 HG3 ARG A 73 14.091 0.554 -8.112 1.00 0.68 H new ATOM 0 HD2 ARG A 73 14.774 -1.406 -9.186 1.00 0.74 H new ATOM 0 HD3 ARG A 73 13.526 -1.991 -8.103 1.00 0.74 H new ATOM 0 HE ARG A 73 12.431 -1.278 -10.699 1.00 0.90 H new ATOM 0 HH11 ARG A 73 14.145 -3.792 -8.889 1.00 1.08 H new ATOM 0 HH12 ARG A 73 13.626 -5.084 -9.976 1.00 1.08 H new ATOM 0 HH21 ARG A 73 11.793 -2.936 -12.096 1.00 1.36 H new ATOM 0 HH22 ARG A 73 12.297 -4.601 -11.787 1.00 1.36 H new ATOM 1153 N GLU A 74 14.081 -0.829 -5.485 1.00 0.47 N ATOM 1154 CA GLU A 74 14.756 -1.940 -4.830 1.00 0.51 C ATOM 1155 C GLU A 74 14.495 -1.915 -3.330 1.00 0.49 C ATOM 1156 O GLU A 74 14.453 -2.957 -2.680 1.00 0.55 O ATOM 1157 CB GLU A 74 16.261 -1.888 -5.106 1.00 0.57 C ATOM 1158 CG GLU A 74 16.629 -2.261 -6.532 1.00 0.65 C ATOM 1159 CD GLU A 74 16.186 -3.660 -6.896 1.00 0.75 C ATOM 1160 OE1 GLU A 74 16.919 -4.616 -6.570 1.00 1.01 O ATOM 1161 OE2 GLU A 74 15.114 -3.812 -7.514 1.00 0.84 O ATOM 0 H GLU A 74 14.698 -0.066 -5.763 1.00 0.47 H new ATOM 0 HA GLU A 74 14.358 -2.870 -5.236 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.626 -0.883 -4.896 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.772 -2.563 -4.419 1.00 0.57 H new ATOM 0 HG2 GLU A 74 16.174 -1.548 -7.220 1.00 0.65 H new ATOM 0 HG3 GLU A 74 17.709 -2.181 -6.658 1.00 0.65 H new ATOM 1168 N LEU A 75 14.298 -0.720 -2.787 1.00 0.47 N ATOM 1169 CA LEU A 75 14.040 -0.562 -1.363 1.00 0.48 C ATOM 1170 C LEU A 75 12.654 -1.094 -1.007 1.00 0.43 C ATOM 1171 O LEU A 75 12.434 -1.593 0.095 1.00 0.44 O ATOM 1172 CB LEU A 75 14.161 0.910 -0.962 1.00 0.53 C ATOM 1173 CG LEU A 75 14.060 1.188 0.539 1.00 0.56 C ATOM 1174 CD1 LEU A 75 15.229 0.560 1.285 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.002 2.686 0.796 1.00 0.61 C ATOM 0 H LEU A 75 14.312 0.154 -3.313 1.00 0.47 H new ATOM 0 HA LEU A 75 14.783 -1.138 -0.812 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.117 1.290 -1.322 1.00 0.53 H new ATOM 0 HB3 LEU A 75 13.381 1.474 -1.473 1.00 0.53 H new ATOM 0 HG LEU A 75 13.140 0.737 0.911 1.00 0.56 H new ATOM 0 HD11 LEU A 75 15.136 0.771 2.350 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.225 -0.518 1.127 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.165 0.977 0.913 1.00 0.65 H new ATOM 0 HD21 LEU A 75 13.930 2.869 1.868 1.00 0.61 H new ATOM 0 HD22 LEU A 75 14.905 3.157 0.407 1.00 0.61 H new ATOM 0 HD23 LEU A 75 13.129 3.107 0.297 1.00 0.61 H new ATOM 1187 N SER A 76 11.728 -1.012 -1.957 1.00 0.45 N ATOM 1188 CA SER A 76 10.364 -1.478 -1.744 1.00 0.46 C ATOM 1189 C SER A 76 10.304 -3.005 -1.640 1.00 0.43 C ATOM 1190 O SER A 76 9.298 -3.570 -1.209 1.00 0.45 O ATOM 1191 CB SER A 76 9.471 -0.990 -2.886 1.00 0.55 C ATOM 1192 OG SER A 76 9.904 0.277 -3.357 1.00 0.82 O ATOM 0 H SER A 76 11.899 -0.625 -2.885 1.00 0.45 H new ATOM 0 HA SER A 76 10.006 -1.068 -0.800 1.00 0.46 H new ATOM 0 HB2 SER A 76 9.489 -1.712 -3.702 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.439 -0.922 -2.543 1.00 0.55 H new ATOM 0 HG SER A 76 9.321 0.571 -4.088 1.00 0.82 H new ATOM 1198 N LYS A 77 11.394 -3.664 -2.013 1.00 0.45 N ATOM 1199 CA LYS A 77 11.476 -5.119 -1.977 1.00 0.51 C ATOM 1200 C LYS A 77 11.306 -5.661 -0.556 1.00 0.47 C ATOM 1201 O LYS A 77 10.886 -6.801 -0.364 1.00 0.56 O ATOM 1202 CB LYS A 77 12.818 -5.566 -2.553 1.00 0.63 C ATOM 1203 CG LYS A 77 12.931 -7.062 -2.781 1.00 0.94 C ATOM 1204 CD LYS A 77 14.252 -7.413 -3.438 1.00 1.20 C ATOM 1205 CE LYS A 77 14.403 -8.913 -3.634 1.00 1.60 C ATOM 1206 NZ LYS A 77 15.703 -9.258 -4.269 1.00 1.89 N ATOM 0 H LYS A 77 12.243 -3.208 -2.348 1.00 0.45 H new ATOM 0 HA LYS A 77 10.662 -5.521 -2.580 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.983 -5.052 -3.500 1.00 0.63 H new ATOM 0 HB3 LYS A 77 13.613 -5.252 -1.877 1.00 0.63 H new ATOM 0 HG2 LYS A 77 12.843 -7.586 -1.829 1.00 0.94 H new ATOM 0 HG3 LYS A 77 12.107 -7.401 -3.409 1.00 0.94 H new ATOM 0 HD2 LYS A 77 14.323 -6.911 -4.403 1.00 1.20 H new ATOM 0 HD3 LYS A 77 15.073 -7.042 -2.825 1.00 1.20 H new ATOM 0 HE2 LYS A 77 14.325 -9.415 -2.670 1.00 1.60 H new ATOM 0 HE3 LYS A 77 13.586 -9.283 -4.254 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 15.769 -10.289 -4.386 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 15.767 -8.799 -5.200 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 16.483 -8.927 -3.665 1.00 1.89 H new ATOM 1220 N THR A 78 11.620 -4.844 0.440 1.00 0.42 N ATOM 1221 CA THR A 78 11.496 -5.275 1.824 1.00 0.48 C ATOM 1222 C THR A 78 10.207 -4.743 2.463 1.00 0.43 C ATOM 1223 O THR A 78 9.953 -4.968 3.648 1.00 0.53 O ATOM 1224 CB THR A 78 12.721 -4.838 2.662 1.00 0.59 C ATOM 1225 OG1 THR A 78 12.638 -5.394 3.979 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.819 -3.319 2.753 1.00 0.63 C ATOM 0 H THR A 78 11.959 -3.890 0.317 1.00 0.42 H new ATOM 0 HA THR A 78 11.453 -6.364 1.816 1.00 0.48 H new ATOM 0 HB THR A 78 13.616 -5.209 2.163 1.00 0.59 H new ATOM 0 HG1 THR A 78 11.703 -5.402 4.273 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.690 -3.046 3.348 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.918 -2.900 1.752 1.00 0.63 H new ATOM 0 HG23 THR A 78 11.919 -2.924 3.224 1.00 0.63 H new ATOM 1234 N PHE A 79 9.382 -4.071 1.666 1.00 0.36 N ATOM 1235 CA PHE A 79 8.132 -3.505 2.167 1.00 0.38 C ATOM 1236 C PHE A 79 6.930 -4.338 1.735 1.00 0.32 C ATOM 1237 O PHE A 79 5.807 -4.087 2.170 1.00 0.33 O ATOM 1238 CB PHE A 79 7.947 -2.063 1.678 1.00 0.46 C ATOM 1239 CG PHE A 79 9.045 -1.121 2.091 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.703 -1.278 3.301 1.00 1.10 C ATOM 1241 CD2 PHE A 79 9.417 -0.074 1.265 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.712 -0.412 3.673 1.00 1.16 C ATOM 1243 CE2 PHE A 79 10.424 0.795 1.632 1.00 1.01 C ATOM 1244 CZ PHE A 79 11.073 0.627 2.838 1.00 0.70 C ATOM 0 H PHE A 79 9.554 -3.905 0.674 1.00 0.36 H new ATOM 0 HA PHE A 79 8.193 -3.512 3.255 1.00 0.38 H new ATOM 0 HB2 PHE A 79 7.878 -2.067 0.590 1.00 0.46 H new ATOM 0 HB3 PHE A 79 6.998 -1.683 2.056 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.423 -2.087 3.960 1.00 1.10 H new ATOM 0 HD2 PHE A 79 8.912 0.064 0.320 1.00 0.96 H new ATOM 0 HE1 PHE A 79 11.219 -0.547 4.617 1.00 1.16 H new ATOM 0 HE2 PHE A 79 10.704 1.606 0.976 1.00 1.01 H new ATOM 0 HZ PHE A 79 11.861 1.306 3.128 1.00 0.70 H new ATOM 1254 N ILE A 80 7.161 -5.319 0.870 1.00 0.38 N ATOM 1255 CA ILE A 80 6.079 -6.172 0.389 1.00 0.36 C ATOM 1256 C ILE A 80 5.618 -7.138 1.484 1.00 0.33 C ATOM 1257 O ILE A 80 6.379 -7.996 1.941 1.00 0.42 O ATOM 1258 CB ILE A 80 6.489 -6.964 -0.883 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.417 -7.995 -1.260 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.837 -7.642 -0.697 1.00 0.58 C ATOM 1261 CD1 ILE A 80 4.236 -7.399 -1.991 1.00 0.72 C ATOM 0 H ILE A 80 8.080 -5.543 0.489 1.00 0.38 H new ATOM 0 HA ILE A 80 5.249 -5.517 0.123 1.00 0.36 H new ATOM 0 HB ILE A 80 6.578 -6.249 -1.701 1.00 0.46 H new ATOM 0 HG12 ILE A 80 5.869 -8.765 -1.885 1.00 0.46 H new ATOM 0 HG13 ILE A 80 5.063 -8.486 -0.354 1.00 0.46 H new ATOM 0 HG21 ILE A 80 8.098 -8.189 -1.603 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.599 -6.889 -0.496 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.783 -8.336 0.142 1.00 0.58 H new ATOM 0 HD11 ILE A 80 3.519 -8.185 -2.226 1.00 0.72 H new ATOM 0 HD12 ILE A 80 3.759 -6.649 -1.360 1.00 0.72 H new ATOM 0 HD13 ILE A 80 4.578 -6.932 -2.915 1.00 0.72 H new ATOM 1273 N ILE A 81 4.375 -6.969 1.921 1.00 0.28 N ATOM 1274 CA ILE A 81 3.812 -7.829 2.955 1.00 0.32 C ATOM 1275 C ILE A 81 2.667 -8.674 2.403 1.00 0.29 C ATOM 1276 O ILE A 81 2.130 -9.536 3.098 1.00 0.31 O ATOM 1277 CB ILE A 81 3.311 -7.033 4.189 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.081 -6.171 3.850 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.434 -6.181 4.767 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.403 -4.838 3.207 1.00 0.77 C ATOM 0 H ILE A 81 3.741 -6.248 1.577 1.00 0.28 H new ATOM 0 HA ILE A 81 4.624 -8.479 3.281 1.00 0.32 H new ATOM 0 HB ILE A 81 3.000 -7.754 4.945 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.432 -6.735 3.180 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.516 -5.991 4.765 1.00 0.50 H new ATOM 0 HG21 ILE A 81 4.064 -5.630 5.632 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.259 -6.825 5.073 1.00 0.43 H new ATOM 0 HG23 ILE A 81 4.783 -5.478 4.011 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.478 -4.299 3.003 1.00 0.77 H new ATOM 0 HD12 ILE A 81 3.025 -4.249 3.882 1.00 0.77 H new ATOM 0 HD13 ILE A 81 2.939 -5.005 2.273 1.00 0.77 H new ATOM 1292 N GLY A 82 2.288 -8.426 1.154 1.00 0.32 N ATOM 1293 CA GLY A 82 1.214 -9.189 0.558 1.00 0.35 C ATOM 1294 C GLY A 82 0.643 -8.547 -0.688 1.00 0.31 C ATOM 1295 O GLY A 82 1.084 -7.476 -1.111 1.00 0.34 O ATOM 0 H GLY A 82 2.703 -7.716 0.550 1.00 0.32 H new ATOM 0 HA2 GLY A 82 1.580 -10.185 0.310 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.417 -9.315 1.291 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.339 -9.213 -1.272 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.997 -8.735 -2.476 1.00 0.31 C ATOM 1301 C GLU A 83 -2.511 -8.833 -2.323 1.00 0.32 C ATOM 1302 O GLU A 83 -3.008 -9.280 -1.290 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.558 -9.560 -3.685 1.00 0.37 C ATOM 1304 CG GLU A 83 0.826 -9.214 -4.201 1.00 0.61 C ATOM 1305 CD GLU A 83 1.193 -10.000 -5.443 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.355 -10.097 -6.361 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.325 -10.522 -5.510 1.00 0.86 O ATOM 0 H GLU A 83 -0.702 -10.100 -0.925 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.715 -7.693 -2.630 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.581 -10.617 -3.418 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -1.280 -9.419 -4.489 1.00 0.37 H new ATOM 0 HG2 GLU A 83 0.872 -8.148 -4.422 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.561 -9.409 -3.420 1.00 0.61 H new ATOM 1314 N LEU A 84 -3.234 -8.421 -3.353 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.689 -8.477 -3.336 1.00 0.44 C ATOM 1316 C LEU A 84 -5.175 -9.788 -3.941 1.00 0.40 C ATOM 1317 O LEU A 84 -4.462 -10.420 -4.727 1.00 0.39 O ATOM 1318 CB LEU A 84 -5.294 -7.300 -4.114 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.360 -5.962 -3.366 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -5.789 -6.173 -1.923 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -4.023 -5.242 -3.432 1.00 0.87 C ATOM 0 H LEU A 84 -2.837 -8.043 -4.213 1.00 0.38 H new ATOM 0 HA LEU A 84 -5.014 -8.414 -2.297 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -4.713 -7.156 -5.025 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -6.304 -7.573 -4.419 1.00 0.52 H new ATOM 0 HG LEU A 84 -6.107 -5.336 -3.854 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -5.829 -5.212 -1.411 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -6.775 -6.637 -1.901 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -5.071 -6.822 -1.421 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -4.092 -4.296 -2.895 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -3.252 -5.863 -2.975 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.764 -5.050 -4.473 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.386 -10.190 -3.570 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.983 -11.420 -4.083 1.00 0.48 C ATOM 1335 C HIS A 85 -7.187 -11.321 -5.589 1.00 0.42 C ATOM 1336 O HIS A 85 -7.313 -10.223 -6.127 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.343 -11.679 -3.433 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.299 -11.879 -1.956 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -8.976 -11.066 -1.078 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -7.676 -12.814 -1.206 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -8.770 -11.493 0.155 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -7.984 -12.551 0.103 1.00 1.10 N ATOM 0 H HIS A 85 -6.976 -9.680 -2.913 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.302 -12.238 -3.847 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -9.002 -10.839 -3.653 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.788 -12.562 -3.893 1.00 0.61 H new ATOM 0 HD1 HIS A 85 -9.547 -10.261 -1.337 1.00 1.22 H new ATOM 0 HD2 HIS A 85 -7.053 -13.617 -1.570 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -9.176 -11.051 1.053 1.00 1.48 H new ATOM 1351 N PRO A 86 -7.207 -12.459 -6.298 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.432 -12.468 -7.742 1.00 0.44 C ATOM 1353 C PRO A 86 -8.787 -11.852 -8.090 1.00 0.40 C ATOM 1354 O PRO A 86 -8.936 -11.197 -9.117 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.389 -13.952 -8.121 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.539 -14.700 -6.842 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.988 -13.815 -5.763 1.00 0.53 C ATOM 0 HA PRO A 86 -6.691 -11.879 -8.282 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -8.190 -14.202 -8.817 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.450 -14.203 -8.613 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.586 -14.937 -6.652 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -6.999 -15.646 -6.881 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.507 -13.963 -4.816 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.931 -14.011 -5.582 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.761 -12.046 -7.202 1.00 0.41 N ATOM 1366 CA ASP A 87 -11.106 -11.501 -7.387 1.00 0.43 C ATOM 1367 C ASP A 87 -11.099 -9.993 -7.205 1.00 0.41 C ATOM 1368 O ASP A 87 -11.829 -9.266 -7.880 1.00 0.47 O ATOM 1369 CB ASP A 87 -12.086 -12.122 -6.391 1.00 0.55 C ATOM 1370 CG ASP A 87 -12.568 -13.491 -6.817 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -11.718 -14.361 -7.111 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -13.796 -13.712 -6.855 1.00 1.30 O ATOM 0 H ASP A 87 -9.643 -12.580 -6.341 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.426 -11.743 -8.401 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.606 -12.199 -5.416 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -12.944 -11.461 -6.273 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.254 -9.528 -6.297 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.137 -8.103 -6.015 1.00 0.50 C ATOM 1379 C ASP A 88 -9.218 -7.440 -7.035 1.00 0.49 C ATOM 1380 O ASP A 88 -9.043 -6.221 -7.031 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.575 -7.874 -4.603 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.520 -8.302 -3.490 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -11.707 -7.917 -3.524 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -10.066 -9.022 -2.567 1.00 1.20 O ATOM 0 H ASP A 88 -9.636 -10.119 -5.740 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.132 -7.662 -6.078 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.638 -8.421 -4.502 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.341 -6.816 -4.482 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.633 -8.250 -7.904 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.713 -7.750 -8.911 1.00 0.51 C ATOM 1391 C ARG A 89 -8.308 -7.825 -10.314 1.00 0.57 C ATOM 1392 O ARG A 89 -8.391 -6.818 -11.013 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.409 -8.548 -8.864 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.240 -7.852 -9.545 1.00 0.89 C ATOM 1395 CD ARG A 89 -3.996 -8.725 -9.548 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.722 -9.298 -8.228 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.498 -9.509 -7.743 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.427 -9.161 -8.442 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.341 -10.060 -6.547 1.00 0.81 N ATOM 0 H ARG A 89 -8.780 -9.259 -7.931 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.517 -6.701 -8.687 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.149 -8.741 -7.823 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.569 -9.517 -9.337 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.512 -7.601 -10.570 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -5.026 -6.914 -9.033 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.120 -9.529 -10.273 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -3.139 -8.134 -9.871 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.518 -9.552 -7.643 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.535 -8.728 -9.359 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.495 -9.326 -8.063 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -3.158 -10.324 -5.996 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.404 -10.220 -6.178 1.00 0.81 H new ATOM 1413 N SER A 90 -8.740 -9.013 -10.721 1.00 0.50 N ATOM 1414 CA SER A 90 -9.286 -9.195 -12.058 1.00 0.59 C ATOM 1415 C SER A 90 -10.710 -9.754 -12.029 1.00 0.57 C ATOM 1416 O SER A 90 -10.987 -10.799 -12.621 1.00 0.88 O ATOM 1417 CB SER A 90 -8.367 -10.119 -12.859 1.00 0.71 C ATOM 1418 OG SER A 90 -7.871 -11.175 -12.046 1.00 1.16 O ATOM 0 H SER A 90 -8.723 -9.857 -10.149 1.00 0.50 H new ATOM 0 HA SER A 90 -9.338 -8.217 -12.537 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.912 -10.534 -13.707 1.00 0.71 H new ATOM 0 HB3 SER A 90 -7.534 -9.546 -13.265 1.00 0.71 H new ATOM 0 HG SER A 90 -7.287 -11.753 -12.581 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.608 -9.057 -11.345 1.00 0.52 N ATOM 1425 CA LYS A 91 -13.002 -9.479 -11.262 1.00 0.49 C ATOM 1426 C LYS A 91 -13.867 -8.333 -10.751 1.00 0.51 C ATOM 1427 O LYS A 91 -14.803 -7.907 -11.426 1.00 0.59 O ATOM 1428 CB LYS A 91 -13.152 -10.710 -10.363 1.00 0.47 C ATOM 1429 CG LYS A 91 -14.486 -11.421 -10.526 1.00 1.02 C ATOM 1430 CD LYS A 91 -14.491 -12.773 -9.830 1.00 1.09 C ATOM 1431 CE LYS A 91 -13.701 -13.815 -10.607 1.00 1.24 C ATOM 1432 NZ LYS A 91 -14.385 -14.214 -11.864 1.00 1.76 N ATOM 0 H LYS A 91 -11.397 -8.197 -10.839 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.337 -9.754 -12.262 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.347 -11.411 -10.583 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -13.036 -10.407 -9.323 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -15.282 -10.799 -10.118 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -14.699 -11.557 -11.586 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -14.069 -12.668 -8.831 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -15.519 -13.114 -9.707 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -12.713 -13.419 -10.843 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -13.550 -14.695 -9.982 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -13.946 -15.080 -12.238 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -15.391 -14.392 -11.670 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -14.297 -13.451 -12.565 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.554 -7.857 -9.543 1.00 0.48 N ATOM 1447 CA LEU A 92 -14.269 -6.738 -8.922 1.00 0.55 C ATOM 1448 C LEU A 92 -15.741 -7.060 -8.655 1.00 0.58 C ATOM 1449 O LEU A 92 -16.534 -6.168 -8.359 1.00 0.72 O ATOM 1450 CB LEU A 92 -14.148 -5.467 -9.783 1.00 0.65 C ATOM 1451 CG LEU A 92 -13.002 -4.518 -9.409 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -13.175 -3.996 -7.990 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.656 -5.211 -9.567 1.00 0.90 C ATOM 0 H LEU A 92 -12.800 -8.235 -8.969 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.796 -6.561 -7.956 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -14.023 -5.766 -10.824 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -15.087 -4.917 -9.720 1.00 0.65 H new ATOM 0 HG LEU A 92 -13.030 -3.667 -10.090 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -12.351 -3.325 -7.746 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -14.118 -3.455 -7.914 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -13.180 -4.833 -7.292 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.857 -4.520 -9.297 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.617 -6.084 -8.915 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.528 -5.526 -10.603 1.00 0.90 H new ATOM 1465 N SER A 93 -16.105 -8.332 -8.746 1.00 0.52 N ATOM 1466 CA SER A 93 -17.475 -8.747 -8.496 1.00 0.57 C ATOM 1467 C SER A 93 -17.692 -8.934 -6.998 1.00 0.58 C ATOM 1468 O SER A 93 -17.749 -10.059 -6.503 1.00 0.70 O ATOM 1469 CB SER A 93 -17.778 -10.043 -9.251 1.00 0.62 C ATOM 1470 OG SER A 93 -17.395 -9.936 -10.613 1.00 0.70 O ATOM 0 H SER A 93 -15.470 -9.092 -8.991 1.00 0.52 H new ATOM 0 HA SER A 93 -18.156 -7.974 -8.854 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.248 -10.873 -8.784 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.843 -10.267 -9.185 1.00 0.62 H new ATOM 0 HG SER A 93 -17.596 -10.776 -11.076 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.776 -7.825 -6.275 1.00 0.57 N ATOM 1477 CA LYS A 94 -17.973 -7.873 -4.837 1.00 0.60 C ATOM 1478 C LYS A 94 -18.834 -6.701 -4.371 1.00 0.71 C ATOM 1479 O LYS A 94 -18.521 -5.544 -4.649 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.620 -7.859 -4.118 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.586 -8.721 -2.869 1.00 0.73 C ATOM 1482 CD LYS A 94 -15.198 -9.302 -2.620 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.446 -8.532 -1.547 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.802 -7.304 -2.080 1.00 0.93 N ATOM 0 H LYS A 94 -17.711 -6.884 -6.662 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.493 -8.799 -4.590 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -15.848 -8.202 -4.807 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -16.372 -6.833 -3.848 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.891 -8.126 -2.008 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -17.307 -9.532 -2.967 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -15.290 -10.346 -2.321 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.626 -9.285 -3.547 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -15.135 -8.260 -0.748 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -13.685 -9.176 -1.106 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -13.179 -6.896 -1.354 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -13.241 -7.544 -2.922 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -14.534 -6.612 -2.337 1.00 0.93 H new ATOM 1498 N PRO A 95 -19.947 -6.992 -3.682 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.855 -5.961 -3.173 1.00 0.92 C ATOM 1500 C PRO A 95 -20.323 -5.275 -1.911 1.00 0.95 C ATOM 1501 O PRO A 95 -19.620 -5.887 -1.101 1.00 1.03 O ATOM 1502 CB PRO A 95 -22.135 -6.745 -2.871 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.679 -8.130 -2.566 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.418 -8.354 -3.358 1.00 0.84 C ATOM 0 HA PRO A 95 -20.994 -5.148 -3.886 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.673 -6.312 -2.027 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.815 -6.732 -3.723 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -21.492 -8.250 -1.499 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -22.443 -8.858 -2.840 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.677 -8.905 -2.779 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.612 -8.934 -4.261 1.00 0.84 H new ATOM 1512 N MET A 96 -20.659 -4.003 -1.752 1.00 1.06 N ATOM 1513 CA MET A 96 -20.216 -3.234 -0.598 1.00 1.14 C ATOM 1514 C MET A 96 -21.407 -2.606 0.119 1.00 1.16 C ATOM 1515 O MET A 96 -21.644 -2.888 1.294 1.00 1.25 O ATOM 1516 CB MET A 96 -19.231 -2.146 -1.030 1.00 1.31 C ATOM 1517 CG MET A 96 -18.725 -1.287 0.118 1.00 1.38 C ATOM 1518 SD MET A 96 -17.372 -0.193 -0.372 1.00 1.63 S ATOM 1519 CE MET A 96 -18.194 0.861 -1.566 1.00 1.94 C ATOM 0 H MET A 96 -21.238 -3.481 -2.409 1.00 1.06 H new ATOM 0 HA MET A 96 -19.713 -3.912 0.092 1.00 1.14 H new ATOM 0 HB2 MET A 96 -18.380 -2.615 -1.524 1.00 1.31 H new ATOM 0 HB3 MET A 96 -19.713 -1.504 -1.767 1.00 1.31 H new ATOM 0 HG2 MET A 96 -19.548 -0.688 0.508 1.00 1.38 H new ATOM 0 HG3 MET A 96 -18.389 -1.933 0.929 1.00 1.38 H new ATOM 0 HE1 MET A 96 -17.549 1.705 -1.811 1.00 1.94 H new ATOM 0 HE2 MET A 96 -18.405 0.291 -2.471 1.00 1.94 H new ATOM 0 HE3 MET A 96 -19.129 1.230 -1.143 1.00 1.94 H new ATOM 1529 N GLU A 97 -22.139 -1.763 -0.607 1.00 1.14 N ATOM 1530 CA GLU A 97 -23.318 -1.069 -0.084 1.00 1.22 C ATOM 1531 C GLU A 97 -22.947 -0.099 1.037 1.00 1.29 C ATOM 1532 O GLU A 97 -22.721 -0.494 2.184 1.00 1.36 O ATOM 1533 CB GLU A 97 -24.378 -2.069 0.388 1.00 1.28 C ATOM 1534 CG GLU A 97 -25.784 -1.720 -0.073 1.00 1.50 C ATOM 1535 CD GLU A 97 -25.825 -1.245 -1.510 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -25.398 -2.003 -2.408 1.00 2.38 O ATOM 1537 OE2 GLU A 97 -26.285 -0.110 -1.754 1.00 2.57 O ATOM 0 H GLU A 97 -21.931 -1.540 -1.580 1.00 1.14 H new ATOM 0 HA GLU A 97 -23.742 -0.483 -0.900 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -24.119 -3.062 0.021 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -24.362 -2.117 1.477 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -26.425 -2.595 0.035 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -26.192 -0.944 0.574 1.00 1.50 H new ATOM 1544 N THR A 98 -22.881 1.176 0.690 1.00 1.31 N ATOM 1545 CA THR A 98 -22.542 2.212 1.645 1.00 1.40 C ATOM 1546 C THR A 98 -23.491 3.406 1.496 1.00 1.39 C ATOM 1547 O THR A 98 -24.399 3.380 0.663 1.00 1.35 O ATOM 1548 CB THR A 98 -21.070 2.666 1.470 1.00 1.43 C ATOM 1549 OG1 THR A 98 -20.700 3.599 2.497 1.00 1.57 O ATOM 1550 CG2 THR A 98 -20.849 3.299 0.102 1.00 1.37 C ATOM 0 H THR A 98 -23.060 1.518 -0.254 1.00 1.31 H new ATOM 0 HA THR A 98 -22.653 1.800 2.648 1.00 1.40 H new ATOM 0 HB THR A 98 -20.442 1.779 1.550 1.00 1.43 H new ATOM 0 HG1 THR A 98 -19.767 3.872 2.370 1.00 1.57 H new ATOM 0 HG21 THR A 98 -19.808 3.608 0.008 1.00 1.37 H new ATOM 0 HG22 THR A 98 -21.084 2.574 -0.677 1.00 1.37 H new ATOM 0 HG23 THR A 98 -21.497 4.169 -0.005 1.00 1.37 H new ATOM 1558 N LEU A 99 -23.274 4.434 2.314 1.00 1.46 N ATOM 1559 CA LEU A 99 -24.089 5.650 2.294 1.00 1.48 C ATOM 1560 C LEU A 99 -25.560 5.347 2.586 1.00 1.52 C ATOM 1561 O LEU A 99 -26.426 5.564 1.743 1.00 1.53 O ATOM 1562 CB LEU A 99 -23.949 6.364 0.943 1.00 1.43 C ATOM 1563 CG LEU A 99 -22.522 6.774 0.569 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -22.394 6.962 -0.935 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -22.121 8.048 1.299 1.00 1.61 C ATOM 0 H LEU A 99 -22.528 4.449 3.010 1.00 1.46 H new ATOM 0 HA LEU A 99 -23.723 6.307 3.083 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -24.339 5.711 0.162 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -24.575 7.256 0.955 1.00 1.43 H new ATOM 0 HG LEU A 99 -21.847 5.974 0.875 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -21.372 7.253 -1.180 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -22.636 6.027 -1.440 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -23.082 7.741 -1.264 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -21.104 8.323 1.020 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -22.802 8.854 1.026 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -22.169 7.881 2.375 1.00 1.61 H new ATOM 1577 N ILE A 100 -25.831 4.842 3.785 1.00 1.60 N ATOM 1578 CA ILE A 100 -27.197 4.518 4.192 1.00 1.68 C ATOM 1579 C ILE A 100 -27.486 5.061 5.588 1.00 1.72 C ATOM 1580 O ILE A 100 -28.317 4.524 6.319 1.00 1.83 O ATOM 1581 CB ILE A 100 -27.466 2.997 4.170 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -26.235 2.218 4.647 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -27.880 2.555 2.773 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -26.444 0.717 4.683 1.00 1.79 C ATOM 0 H ILE A 100 -25.123 4.647 4.494 1.00 1.60 H new ATOM 0 HA ILE A 100 -27.861 4.991 3.468 1.00 1.68 H new ATOM 0 HB ILE A 100 -28.284 2.781 4.857 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -25.395 2.444 3.990 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.961 2.562 5.644 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -28.067 1.481 2.771 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -28.788 3.081 2.479 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -27.082 2.786 2.067 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -25.532 0.231 5.030 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -27.263 0.480 5.362 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -26.688 0.359 3.683 1.00 1.79 H new ATOM 1596 N THR A 101 -26.785 6.121 5.955 1.00 1.73 N ATOM 1597 CA THR A 101 -26.961 6.748 7.254 1.00 1.77 C ATOM 1598 C THR A 101 -26.636 8.231 7.162 1.00 1.85 C ATOM 1599 O THR A 101 -25.579 8.607 6.653 1.00 1.80 O ATOM 1600 CB THR A 101 -26.054 6.101 8.322 1.00 1.70 C ATOM 1601 OG1 THR A 101 -26.020 4.677 8.145 1.00 1.85 O ATOM 1602 CG2 THR A 101 -26.546 6.428 9.723 1.00 1.98 C ATOM 0 H THR A 101 -26.083 6.568 5.366 1.00 1.73 H new ATOM 0 HA THR A 101 -28.001 6.608 7.550 1.00 1.77 H new ATOM 0 HB THR A 101 -25.049 6.506 8.202 1.00 1.70 H new ATOM 0 HG1 THR A 101 -25.441 4.276 8.826 1.00 1.85 H new ATOM 0 HG21 THR A 101 -25.890 5.961 10.457 1.00 1.98 H new ATOM 0 HG22 THR A 101 -26.541 7.508 9.868 1.00 1.98 H new ATOM 0 HG23 THR A 101 -27.560 6.050 9.850 1.00 1.98 H new ATOM 1610 N THR A 102 -27.541 9.067 7.641 1.00 2.05 N ATOM 1611 CA THR A 102 -27.337 10.503 7.610 1.00 2.18 C ATOM 1612 C THR A 102 -26.423 10.936 8.754 1.00 2.11 C ATOM 1613 O THR A 102 -26.883 11.355 9.818 1.00 2.23 O ATOM 1614 CB THR A 102 -28.682 11.245 7.697 1.00 2.58 C ATOM 1615 OG1 THR A 102 -29.638 10.606 6.838 1.00 2.89 O ATOM 1616 CG2 THR A 102 -28.531 12.706 7.304 1.00 2.72 C ATOM 0 H THR A 102 -28.425 8.774 8.057 1.00 2.05 H new ATOM 0 HA THR A 102 -26.861 10.759 6.664 1.00 2.18 H new ATOM 0 HB THR A 102 -29.029 11.207 8.729 1.00 2.58 H new ATOM 0 HG1 THR A 102 -30.495 11.078 6.895 1.00 2.89 H new ATOM 0 HG21 THR A 102 -29.498 13.204 7.375 1.00 2.72 H new ATOM 0 HG22 THR A 102 -27.822 13.192 7.975 1.00 2.72 H new ATOM 0 HG23 THR A 102 -28.164 12.771 6.280 1.00 2.72 H new ATOM 1624 N VAL A 103 -25.124 10.812 8.529 1.00 2.05 N ATOM 1625 CA VAL A 103 -24.129 11.181 9.532 1.00 2.08 C ATOM 1626 C VAL A 103 -23.668 12.620 9.334 1.00 2.14 C ATOM 1627 O VAL A 103 -22.625 13.034 9.847 1.00 2.25 O ATOM 1628 CB VAL A 103 -22.906 10.237 9.495 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -23.239 8.909 10.160 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -22.430 10.020 8.065 1.00 1.94 C ATOM 0 H VAL A 103 -24.730 10.457 7.658 1.00 2.05 H new ATOM 0 HA VAL A 103 -24.607 11.087 10.507 1.00 2.08 H new ATOM 0 HB VAL A 103 -22.095 10.707 10.051 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -22.367 8.256 10.125 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -23.521 9.083 11.198 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -24.068 8.436 9.633 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -21.569 9.352 8.066 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -23.233 9.575 7.478 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -22.147 10.977 7.627 1.00 1.94 H new ATOM 1640 N ASP A 104 -24.460 13.378 8.597 1.00 2.18 N ATOM 1641 CA ASP A 104 -24.165 14.772 8.317 1.00 2.30 C ATOM 1642 C ASP A 104 -25.443 15.585 8.431 1.00 2.65 C ATOM 1643 O ASP A 104 -25.393 16.817 8.247 1.00 2.86 O ATOM 1644 CB ASP A 104 -23.575 14.926 6.915 1.00 2.32 C ATOM 1645 CG ASP A 104 -24.632 14.823 5.838 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -25.190 13.721 5.649 1.00 2.82 O ATOM 1647 OD2 ASP A 104 -24.912 15.843 5.173 1.00 2.54 O ATOM 0 H ASP A 104 -25.327 13.044 8.175 1.00 2.18 H new ATOM 0 HA ASP A 104 -23.432 15.132 9.039 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -23.072 15.890 6.838 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -22.818 14.158 6.754 1.00 2.32 H new TER 1652 ASP A 104 HETATM 1653 CHA HEM A 400 11.262 9.780 -3.843 1.00 0.46 C HETATM 1654 CHB HEM A 400 10.535 5.395 -2.082 1.00 0.49 C HETATM 1655 CHC HEM A 400 5.826 5.894 -2.748 1.00 0.41 C HETATM 1656 CHD HEM A 400 6.534 10.350 -4.366 1.00 0.38 C HETATM 1657 C1A HEM A 400 11.475 8.527 -3.325 1.00 0.46 C HETATM 1658 C2A HEM A 400 12.776 7.987 -3.007 1.00 0.53 C HETATM 1659 C3A HEM A 400 12.565 6.757 -2.492 1.00 0.54 C HETATM 1660 C4A HEM A 400 11.141 6.544 -2.508 1.00 0.47 C HETATM 1661 CMA HEM A 400 13.604 5.801 -2.009 1.00 0.63 C HETATM 1662 CAA HEM A 400 14.100 8.638 -3.235 1.00 0.61 C HETATM 1663 CBA HEM A 400 14.885 7.976 -4.371 1.00 0.95 C HETATM 1664 CGA HEM A 400 14.483 8.607 -5.701 1.00 0.91 C HETATM 1665 O1A HEM A 400 14.626 9.840 -5.837 1.00 1.48 O HETATM 1666 O2A HEM A 400 14.042 7.859 -6.598 1.00 1.29 O HETATM 1667 C1B HEM A 400 9.188 5.155 -2.107 1.00 0.46 C HETATM 1668 C2B HEM A 400 8.585 3.930 -1.660 1.00 0.51 C HETATM 1669 C3B HEM A 400 7.254 4.061 -1.853 1.00 0.49 C HETATM 1670 C4B HEM A 400 7.052 5.374 -2.419 1.00 0.42 C HETATM 1671 CMB HEM A 400 9.293 2.752 -1.090 1.00 0.60 C HETATM 1672 CAB HEM A 400 6.281 3.125 -1.553 1.00 0.55 C HETATM 1673 CBB HEM A 400 5.017 3.417 -0.742 1.00 1.07 C HETATM 1674 C1C HEM A 400 5.610 7.150 -3.262 1.00 0.37 C HETATM 1675 C2C HEM A 400 4.307 7.681 -3.572 1.00 0.40 C HETATM 1676 C3C HEM A 400 4.505 8.948 -4.013 1.00 0.40 C HETATM 1677 C4C HEM A 400 5.928 9.177 -3.979 1.00 0.36 C HETATM 1678 CMC HEM A 400 3.003 6.961 -3.454 1.00 0.47 C HETATM 1679 CAC HEM A 400 3.534 9.854 -4.401 1.00 0.45 C HETATM 1680 CBC HEM A 400 2.179 10.029 -3.708 1.00 0.52 C HETATM 1681 C1D HEM A 400 7.889 10.590 -4.355 1.00 0.39 C HETATM 1682 C2D HEM A 400 8.503 11.825 -4.780 1.00 0.45 C HETATM 1683 C3D HEM A 400 9.840 11.655 -4.647 1.00 0.47 C HETATM 1684 C4D HEM A 400 10.035 10.322 -4.133 1.00 0.42 C HETATM 1685 CMD HEM A 400 7.801 13.055 -5.263 1.00 0.50 C HETATM 1686 CAD HEM A 400 10.902 12.647 -4.986 1.00 0.55 C HETATM 1687 CBD HEM A 400 11.682 12.259 -6.241 1.00 0.70 C HETATM 1688 CGD HEM A 400 12.437 13.477 -6.749 1.00 1.09 C HETATM 1689 O1D HEM A 400 13.617 13.636 -6.376 1.00 1.52 O HETATM 1690 O2D HEM A 400 11.839 14.268 -7.510 1.00 1.79 O HETATM 1691 NA HEM A 400 10.471 7.631 -3.024 1.00 0.42 N HETATM 1692 NB HEM A 400 8.246 6.044 -2.571 1.00 0.40 N HETATM 1693 NC HEM A 400 6.606 8.067 -3.521 1.00 0.35 N HETATM 1694 ND HEM A 400 8.834 9.667 -3.952 1.00 0.37 N HETATM 1695 FE HEM A 400 8.538 7.848 -3.279 1.00 0.36 FE HETATM 0 HMA1 HEM A 400 14.528 5.957 -2.565 1.00 0.63 H new HETATM 0 HMA2 HEM A 400 13.257 4.779 -2.161 1.00 0.63 H new HETATM 0 HMA3 HEM A 400 13.787 5.968 -0.948 1.00 0.63 H new HETATM 0 HMB1 HEM A 400 10.295 2.689 -1.514 1.00 0.60 H new HETATM 0 HMB2 HEM A 400 8.740 1.844 -1.330 1.00 0.60 H new HETATM 0 HMB3 HEM A 400 9.363 2.859 -0.008 1.00 0.60 H new HETATM 0 HMC1 HEM A 400 3.160 5.895 -3.619 1.00 0.47 H new HETATM 0 HMC2 HEM A 400 2.307 7.345 -4.199 1.00 0.47 H new HETATM 0 HMC3 HEM A 400 2.590 7.117 -2.457 1.00 0.47 H new HETATM 0 HMD1 HEM A 400 6.867 12.774 -5.750 1.00 0.50 H new HETATM 0 HMD2 HEM A 400 8.437 13.581 -5.975 1.00 0.50 H new HETATM 0 HMD3 HEM A 400 7.587 13.708 -4.417 1.00 0.50 H new HETATM 0 HBB1 HEM A 400 4.297 2.621 -0.549 1.00 1.07 H new HETATM 0 HBB2 HEM A 400 4.836 4.421 -0.357 1.00 1.07 H new HETATM 0 HBC1 HEM A 400 1.469 10.768 -4.079 1.00 0.52 H new HETATM 0 HBC2 HEM A 400 1.925 9.414 -2.844 1.00 0.52 H new HETATM 0 HBA1 HEM A 400 14.685 6.905 -4.389 1.00 0.95 H new HETATM 0 HBA2 HEM A 400 15.956 8.098 -4.207 1.00 0.95 H new HETATM 0 HAA1 HEM A 400 14.687 8.594 -2.317 1.00 0.61 H new HETATM 0 HAA2 HEM A 400 13.949 9.692 -3.467 1.00 0.61 H new HETATM 0 HBD1 HEM A 400 11.002 11.890 -7.009 1.00 0.70 H new HETATM 0 HBD2 HEM A 400 12.378 11.451 -6.017 1.00 0.70 H new HETATM 0 HAD1 HEM A 400 11.591 12.738 -4.147 1.00 0.55 H new HETATM 0 HAD2 HEM A 400 10.447 13.627 -5.133 1.00 0.55 H new HETATM 0 HHA HEM A 400 12.132 10.390 -4.039 1.00 0.46 H new HETATM 0 HHB HEM A 400 11.171 4.613 -1.694 1.00 0.49 H new HETATM 0 HHC HEM A 400 4.961 5.266 -2.590 1.00 0.41 H new HETATM 0 HHD HEM A 400 5.893 11.149 -4.707 1.00 0.38 H new HETATM 0 HAB HEM A 400 6.425 2.109 -1.920 1.00 0.55 H new HETATM 0 HAC HEM A 400 3.748 10.488 -5.261 1.00 0.45 H new