USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1045 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 THR OG1 : rot 180:sc= 0.414 USER MOD Set 1.2: A 38 ASN :FLIP amide:sc= -0.305 F(o=-2.7!,f=0.11) USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 36 TYR OH : rot 180:sc= 0.463 USER MOD Set 2.3: A 77 SER OG : rot -4:sc= 1.02 USER MOD Set 2.4: A 81 GLN :FLIP amide:sc= -0.188 F(o=-0.22,f=1.3) USER MOD Set 3.1: A 18 THR OG1 : rot -70:sc= 0.438 USER MOD Set 3.2: A 65 SER OG : rot -47:sc= 0.372 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0773 X(o=-0.077,f=-0.0035) USER MOD Single : A 3 MET CE :methyl -166:sc= -0.0453 (180deg=-0.372) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 170:sc= -0.197 USER MOD Single : A 9 THR OG1 : rot 44:sc= 0.281 USER MOD Single : A 10 LYS NZ :NH3+ -157:sc= 0.439 (180deg=0.113) USER MOD Single : A 14 THR OG1 : rot -44:sc= 0.667 USER MOD Single : A 15 SER OG : rot 40:sc= 0.122 USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.371 K(o=0.37,f=-0.43) USER MOD Single : A 22 GLN :FLIP amide:sc= -2.36! C(o=-5.4!,f=-2.4!) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0446 USER MOD Single : A 29 ASN : amide:sc= -3.95! C(o=-4!,f=-6.2!) USER MOD Single : A 30 THR OG1 : rot 92:sc= 1.19 USER MOD Single : A 39 SER OG : rot -91:sc= 0.0358 USER MOD Single : A 40 ASN : amide:sc=-0.00458 K(o=-0.0046,f=-0.93) USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= -0.59! (180deg=-1.14!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00265 USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= -0.0356 (180deg=-0.3) USER MOD Single : A 46 ASN : amide:sc= -5.94! C(o=-5.9!,f=-12!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc=-0.00464 F(o=-1,f=-0.0046) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.08) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS :FLIP no HE2:sc= -10.9! C(o=-13!,f=-11!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= 1.06 (180deg=1.02) USER MOD Single : A 73 SER OG : rot -26:sc= 0.107 USER MOD Single : A 74 LYS NZ :NH3+ -155:sc= -0.0392 (180deg=-0.242) USER MOD Single : A 75 TYR OH : rot 165:sc= -1.83! USER MOD Single : A 80 THR OG1 : rot 93:sc= 1.16 USER MOD Single : A 83 LYS NZ :NH3+ -168:sc= -2.33! (180deg=-2.58!) USER MOD Single : A 86 GLN :FLIP amide:sc= -1.55 F(o=-2.4!,f=-1.5) USER MOD Single : A 89 ASN : amide:sc= -6.54! C(o=-6.5!,f=-12!) USER MOD Single : A 91 GLN : amide:sc= 0.366 K(o=0.37,f=-10!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ -143:sc= 1.27 (180deg=0.912) USER MOD Single : A 109 LYS NZ :NH3+ -164:sc= 1.13 (180deg=0.876) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.0434 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot -96:sc= -1.55! USER MOD Single : A 121 ASN : amide:sc= -4.09! C(o=-4.1!,f=-9.2!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0171) USER MOD Single : A 130 LYS NZ :NH3+ -152:sc= -0.116 (180deg=-0.584) USER MOD Single : A 133 SER OG : rot -91:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.546 0.277 -15.128 1.00 22.48 N ATOM 2 CA GLY A 1 -35.854 -0.989 -14.421 1.00 22.34 C ATOM 3 C GLY A 1 -35.756 -0.833 -12.918 1.00 22.10 C ATOM 4 O GLY A 1 -36.465 -0.020 -12.328 1.00 22.12 O ATOM 0 H1 GLY A 1 -35.624 0.129 -16.154 1.00 22.48 H new ATOM 0 H2 GLY A 1 -36.219 1.013 -14.832 1.00 22.48 H new ATOM 0 H3 GLY A 1 -34.579 0.579 -14.894 1.00 22.48 H new ATOM 0 HA2 GLY A 1 -36.858 -1.319 -14.687 1.00 22.34 H new ATOM 0 HA3 GLY A 1 -35.165 -1.766 -14.751 1.00 22.34 H new ATOM 10 N HIS A 2 -34.879 -1.606 -12.296 1.00 21.98 N ATOM 11 CA HIS A 2 -34.659 -1.505 -10.860 1.00 21.88 C ATOM 12 C HIS A 2 -33.169 -1.476 -10.552 1.00 21.50 C ATOM 13 O HIS A 2 -32.584 -2.475 -10.132 1.00 21.64 O ATOM 14 CB HIS A 2 -35.338 -2.655 -10.105 1.00 22.32 C ATOM 15 CG HIS A 2 -36.820 -2.492 -9.958 1.00 22.67 C ATOM 16 ND1 HIS A 2 -37.712 -3.532 -10.096 1.00 22.91 N ATOM 17 CD2 HIS A 2 -37.564 -1.402 -9.657 1.00 22.94 C ATOM 18 CE1 HIS A 2 -38.939 -3.089 -9.891 1.00 23.31 C ATOM 19 NE2 HIS A 2 -38.877 -1.800 -9.621 1.00 23.33 N ATOM 0 H HIS A 2 -34.308 -2.310 -12.762 1.00 21.98 H new ATOM 0 HA HIS A 2 -35.109 -0.572 -10.520 1.00 21.88 H new ATOM 0 HB2 HIS A 2 -35.135 -3.590 -10.628 1.00 22.32 H new ATOM 0 HB3 HIS A 2 -34.891 -2.740 -9.114 1.00 22.32 H new ATOM 0 HD2 HIS A 2 -37.193 -0.404 -9.478 1.00 22.94 H new ATOM 0 HE1 HIS A 2 -39.840 -3.682 -9.937 1.00 23.31 H new ATOM 0 HE2 HIS A 2 -39.674 -1.197 -9.418 1.00 23.33 H new ATOM 28 N MET A 3 -32.560 -0.327 -10.787 1.00 21.13 N ATOM 29 CA MET A 3 -31.152 -0.128 -10.483 1.00 20.87 C ATOM 30 C MET A 3 -30.991 0.362 -9.052 1.00 20.26 C ATOM 31 O MET A 3 -30.188 -0.165 -8.284 1.00 20.24 O ATOM 32 CB MET A 3 -30.541 0.894 -11.445 1.00 21.09 C ATOM 33 CG MET A 3 -29.066 1.165 -11.194 1.00 21.38 C ATOM 34 SD MET A 3 -28.437 2.552 -12.160 1.00 21.89 S ATOM 35 CE MET A 3 -28.786 1.999 -13.828 1.00 22.11 C ATOM 0 H MET A 3 -33.022 0.488 -11.190 1.00 21.13 H new ATOM 0 HA MET A 3 -30.635 -1.080 -10.598 1.00 20.87 H new ATOM 0 HB2 MET A 3 -30.667 0.538 -12.467 1.00 21.09 H new ATOM 0 HB3 MET A 3 -31.092 1.831 -11.364 1.00 21.09 H new ATOM 0 HG2 MET A 3 -28.914 1.368 -10.134 1.00 21.38 H new ATOM 0 HG3 MET A 3 -28.491 0.271 -11.434 1.00 21.38 H new ATOM 0 HE1 MET A 3 -28.241 2.620 -14.539 1.00 22.11 H new ATOM 0 HE2 MET A 3 -28.474 0.961 -13.940 1.00 22.11 H new ATOM 0 HE3 MET A 3 -29.856 2.080 -14.022 1.00 22.11 H new ATOM 45 N GLN A 4 -31.781 1.364 -8.704 1.00 19.88 N ATOM 46 CA GLN A 4 -31.684 2.008 -7.406 1.00 19.37 C ATOM 47 C GLN A 4 -32.663 1.377 -6.420 1.00 18.69 C ATOM 48 O GLN A 4 -33.593 2.031 -5.943 1.00 18.61 O ATOM 49 CB GLN A 4 -31.970 3.504 -7.553 1.00 19.44 C ATOM 50 CG GLN A 4 -31.110 4.182 -8.607 1.00 19.70 C ATOM 51 CD GLN A 4 -31.510 5.623 -8.846 1.00 20.20 C ATOM 52 OE1 GLN A 4 -32.363 5.913 -9.685 1.00 20.59 O ATOM 53 NE2 GLN A 4 -30.895 6.536 -8.116 1.00 20.31 N ATOM 0 H GLN A 4 -32.504 1.752 -9.310 1.00 19.88 H new ATOM 0 HA GLN A 4 -30.674 1.872 -7.018 1.00 19.37 H new ATOM 0 HB2 GLN A 4 -33.021 3.642 -7.808 1.00 19.44 H new ATOM 0 HB3 GLN A 4 -31.808 3.993 -6.593 1.00 19.44 H new ATOM 0 HG2 GLN A 4 -30.066 4.145 -8.297 1.00 19.70 H new ATOM 0 HG3 GLN A 4 -31.184 3.628 -9.543 1.00 19.70 H new ATOM 0 HE21 GLN A 4 -30.194 6.254 -7.431 1.00 20.31 H new ATOM 0 HE22 GLN A 4 -31.121 7.523 -8.237 1.00 20.31 H new ATOM 62 N VAL A 5 -32.449 0.103 -6.120 1.00 18.32 N ATOM 63 CA VAL A 5 -33.311 -0.620 -5.194 1.00 17.78 C ATOM 64 C VAL A 5 -33.023 -0.180 -3.765 1.00 17.06 C ATOM 65 O VAL A 5 -33.929 -0.037 -2.945 1.00 16.99 O ATOM 66 CB VAL A 5 -33.122 -2.148 -5.314 1.00 18.09 C ATOM 67 CG1 VAL A 5 -34.100 -2.890 -4.412 1.00 18.26 C ATOM 68 CG2 VAL A 5 -33.288 -2.595 -6.758 1.00 18.37 C ATOM 0 H VAL A 5 -31.685 -0.452 -6.505 1.00 18.32 H new ATOM 0 HA VAL A 5 -34.344 -0.386 -5.452 1.00 17.78 H new ATOM 0 HB VAL A 5 -32.110 -2.390 -4.990 1.00 18.09 H new ATOM 0 HG11 VAL A 5 -33.947 -3.964 -4.515 1.00 18.26 H new ATOM 0 HG12 VAL A 5 -33.933 -2.597 -3.375 1.00 18.26 H new ATOM 0 HG13 VAL A 5 -35.121 -2.640 -4.699 1.00 18.26 H new ATOM 0 HG21 VAL A 5 -33.151 -3.674 -6.823 1.00 18.37 H new ATOM 0 HG22 VAL A 5 -34.287 -2.334 -7.107 1.00 18.37 H new ATOM 0 HG23 VAL A 5 -32.545 -2.097 -7.381 1.00 18.37 H new ATOM 78 N ALA A 6 -31.753 0.042 -3.481 1.00 16.65 N ATOM 79 CA ALA A 6 -31.337 0.533 -2.183 1.00 16.09 C ATOM 80 C ALA A 6 -30.732 1.922 -2.320 1.00 15.56 C ATOM 81 O ALA A 6 -29.680 2.090 -2.941 1.00 15.23 O ATOM 82 CB ALA A 6 -30.338 -0.422 -1.543 1.00 16.02 C ATOM 0 H ALA A 6 -30.988 -0.112 -4.138 1.00 16.65 H new ATOM 0 HA ALA A 6 -32.213 0.593 -1.537 1.00 16.09 H new ATOM 0 HB1 ALA A 6 -30.038 -0.036 -0.569 1.00 16.02 H new ATOM 0 HB2 ALA A 6 -30.800 -1.401 -1.418 1.00 16.02 H new ATOM 0 HB3 ALA A 6 -29.461 -0.513 -2.183 1.00 16.02 H new ATOM 88 N ARG A 7 -31.409 2.915 -1.755 1.00 15.63 N ATOM 89 CA ARG A 7 -30.925 4.292 -1.797 1.00 15.34 C ATOM 90 C ARG A 7 -29.665 4.457 -0.950 1.00 14.74 C ATOM 91 O ARG A 7 -28.914 5.418 -1.114 1.00 14.45 O ATOM 92 CB ARG A 7 -32.027 5.280 -1.371 1.00 15.83 C ATOM 93 CG ARG A 7 -32.904 4.816 -0.209 1.00 16.12 C ATOM 94 CD ARG A 7 -32.191 4.893 1.130 1.00 16.49 C ATOM 95 NE ARG A 7 -32.996 4.304 2.201 1.00 16.78 N ATOM 96 CZ ARG A 7 -32.734 4.443 3.501 1.00 17.15 C ATOM 97 NH1 ARG A 7 -31.704 5.175 3.904 1.00 17.29 N1+ ATOM 98 NH2 ARG A 7 -33.510 3.848 4.396 1.00 17.53 N ATOM 0 H ARG A 7 -32.294 2.794 -1.263 1.00 15.63 H new ATOM 0 HA ARG A 7 -30.659 4.524 -2.828 1.00 15.34 H new ATOM 0 HB2 ARG A 7 -31.559 6.225 -1.097 1.00 15.83 H new ATOM 0 HB3 ARG A 7 -32.667 5.479 -2.231 1.00 15.83 H new ATOM 0 HG2 ARG A 7 -33.805 5.428 -0.172 1.00 16.12 H new ATOM 0 HG3 ARG A 7 -33.223 3.789 -0.388 1.00 16.12 H new ATOM 0 HD2 ARG A 7 -31.235 4.374 1.065 1.00 16.49 H new ATOM 0 HD3 ARG A 7 -31.973 5.934 1.368 1.00 16.49 H new ATOM 0 HE ARG A 7 -33.811 3.751 1.936 1.00 16.78 H new ATOM 0 HH11 ARG A 7 -31.106 5.636 3.218 1.00 17.29 H new ATOM 0 HH12 ARG A 7 -31.509 5.277 4.900 1.00 17.29 H new ATOM 0 HH21 ARG A 7 -34.304 3.286 4.089 1.00 17.53 H new ATOM 0 HH22 ARG A 7 -33.313 3.952 5.391 1.00 17.53 H new ATOM 112 N SER A 8 -29.443 3.507 -0.052 1.00 14.73 N ATOM 113 CA SER A 8 -28.212 3.449 0.722 1.00 14.36 C ATOM 114 C SER A 8 -28.074 2.082 1.383 1.00 13.83 C ATOM 115 O SER A 8 -27.057 1.406 1.230 1.00 13.83 O ATOM 116 CB SER A 8 -28.173 4.566 1.771 1.00 14.71 C ATOM 117 OG SER A 8 -29.318 4.536 2.603 1.00 15.09 O ATOM 0 H SER A 8 -30.106 2.761 0.159 1.00 14.73 H new ATOM 0 HA SER A 8 -27.370 3.597 0.046 1.00 14.36 H new ATOM 0 HB2 SER A 8 -27.276 4.463 2.381 1.00 14.71 H new ATOM 0 HB3 SER A 8 -28.110 5.533 1.272 1.00 14.71 H new ATOM 0 HG SER A 8 -29.191 5.150 3.356 1.00 15.09 H new ATOM 123 N THR A 9 -29.116 1.672 2.098 1.00 13.57 N ATOM 124 CA THR A 9 -29.117 0.386 2.773 1.00 13.24 C ATOM 125 C THR A 9 -30.501 0.054 3.330 1.00 12.78 C ATOM 126 O THR A 9 -31.254 0.944 3.737 1.00 12.86 O ATOM 127 CB THR A 9 -28.077 0.352 3.920 1.00 13.31 C ATOM 128 OG1 THR A 9 -28.138 -0.903 4.608 1.00 13.75 O ATOM 129 CG2 THR A 9 -28.310 1.484 4.910 1.00 13.07 C ATOM 0 H THR A 9 -29.970 2.215 2.223 1.00 13.57 H new ATOM 0 HA THR A 9 -28.846 -0.364 2.030 1.00 13.24 H new ATOM 0 HB THR A 9 -27.090 0.478 3.476 1.00 13.31 H new ATOM 0 HG1 THR A 9 -28.200 -1.631 3.955 1.00 13.75 H new ATOM 0 HG21 THR A 9 -27.564 1.433 5.703 1.00 13.07 H new ATOM 0 HG22 THR A 9 -28.227 2.441 4.395 1.00 13.07 H new ATOM 0 HG23 THR A 9 -29.306 1.390 5.342 1.00 13.07 H new ATOM 137 N LYS A 10 -30.837 -1.230 3.311 1.00 12.51 N ATOM 138 CA LYS A 10 -32.052 -1.726 3.950 1.00 12.26 C ATOM 139 C LYS A 10 -31.796 -3.123 4.505 1.00 11.57 C ATOM 140 O LYS A 10 -32.714 -3.827 4.924 1.00 11.56 O ATOM 141 CB LYS A 10 -33.236 -1.755 2.974 1.00 12.85 C ATOM 142 CG LYS A 10 -33.114 -2.797 1.867 1.00 13.32 C ATOM 143 CD LYS A 10 -34.472 -3.108 1.251 1.00 13.86 C ATOM 144 CE LYS A 10 -35.022 -1.937 0.451 1.00 14.21 C ATOM 145 NZ LYS A 10 -34.441 -1.879 -0.915 1.00 14.58 N1+ ATOM 0 H LYS A 10 -30.280 -1.953 2.856 1.00 12.51 H new ATOM 0 HA LYS A 10 -32.313 -1.046 4.761 1.00 12.26 H new ATOM 0 HB2 LYS A 10 -34.150 -1.945 3.536 1.00 12.85 H new ATOM 0 HB3 LYS A 10 -33.341 -0.770 2.519 1.00 12.85 H new ATOM 0 HG2 LYS A 10 -32.436 -2.433 1.095 1.00 13.32 H new ATOM 0 HG3 LYS A 10 -32.677 -3.710 2.270 1.00 13.32 H new ATOM 0 HD2 LYS A 10 -34.384 -3.979 0.602 1.00 13.86 H new ATOM 0 HD3 LYS A 10 -35.176 -3.369 2.041 1.00 13.86 H new ATOM 0 HE2 LYS A 10 -36.106 -2.022 0.381 1.00 14.21 H new ATOM 0 HE3 LYS A 10 -34.809 -1.006 0.976 1.00 14.21 H new ATOM 0 HZ1 LYS A 10 -34.515 -0.909 -1.283 1.00 14.58 H new ATOM 0 HZ2 LYS A 10 -33.441 -2.161 -0.879 1.00 14.58 H new ATOM 0 HZ3 LYS A 10 -34.961 -2.527 -1.541 1.00 14.58 H new ATOM 159 N GLU A 11 -30.531 -3.505 4.510 1.00 11.20 N ATOM 160 CA GLU A 11 -30.119 -4.839 4.914 1.00 10.71 C ATOM 161 C GLU A 11 -28.878 -4.716 5.797 1.00 9.66 C ATOM 162 O GLU A 11 -28.493 -3.602 6.160 1.00 9.26 O ATOM 163 CB GLU A 11 -29.824 -5.664 3.651 1.00 11.05 C ATOM 164 CG GLU A 11 -29.717 -7.165 3.866 1.00 11.92 C ATOM 165 CD GLU A 11 -29.390 -7.901 2.587 1.00 12.59 C ATOM 166 OE1 GLU A 11 -30.333 -8.282 1.861 1.00 13.16 O ATOM 167 OE2 GLU A 11 -28.190 -8.106 2.304 1.00 12.70 O1- ATOM 0 H GLU A 11 -29.759 -2.898 4.234 1.00 11.20 H new ATOM 0 HA GLU A 11 -30.903 -5.341 5.481 1.00 10.71 H new ATOM 0 HB2 GLU A 11 -30.610 -5.473 2.921 1.00 11.05 H new ATOM 0 HB3 GLU A 11 -28.891 -5.309 3.215 1.00 11.05 H new ATOM 0 HG2 GLU A 11 -28.946 -7.370 4.609 1.00 11.92 H new ATOM 0 HG3 GLU A 11 -30.657 -7.541 4.270 1.00 11.92 H new ATOM 174 N ILE A 12 -28.269 -5.835 6.172 1.00 9.40 N ATOM 175 CA ILE A 12 -26.986 -5.800 6.859 1.00 8.58 C ATOM 176 C ILE A 12 -25.903 -5.312 5.901 1.00 8.21 C ATOM 177 O ILE A 12 -25.245 -6.104 5.219 1.00 8.57 O ATOM 178 CB ILE A 12 -26.584 -7.175 7.426 1.00 8.89 C ATOM 179 CG1 ILE A 12 -27.618 -7.656 8.445 1.00 9.53 C ATOM 180 CG2 ILE A 12 -25.204 -7.089 8.060 1.00 8.32 C ATOM 181 CD1 ILE A 12 -27.317 -9.023 9.016 1.00 10.10 C ATOM 0 H ILE A 12 -28.641 -6.771 6.013 1.00 9.40 H new ATOM 0 HA ILE A 12 -27.089 -5.114 7.700 1.00 8.58 H new ATOM 0 HB ILE A 12 -26.550 -7.898 6.611 1.00 8.89 H new ATOM 0 HG12 ILE A 12 -27.674 -6.935 9.261 1.00 9.53 H new ATOM 0 HG13 ILE A 12 -28.599 -7.678 7.971 1.00 9.53 H new ATOM 0 HG21 ILE A 12 -24.926 -8.064 8.459 1.00 8.32 H new ATOM 0 HG22 ILE A 12 -24.477 -6.783 7.308 1.00 8.32 H new ATOM 0 HG23 ILE A 12 -25.220 -6.357 8.868 1.00 8.32 H new ATOM 0 HD11 ILE A 12 -28.093 -9.298 9.731 1.00 10.10 H new ATOM 0 HD12 ILE A 12 -27.290 -9.756 8.210 1.00 10.10 H new ATOM 0 HD13 ILE A 12 -26.351 -9.002 9.520 1.00 10.10 H new ATOM 193 N GLU A 13 -25.759 -4.002 5.821 1.00 7.77 N ATOM 194 CA GLU A 13 -24.835 -3.381 4.892 1.00 7.68 C ATOM 195 C GLU A 13 -24.055 -2.274 5.580 1.00 6.98 C ATOM 196 O GLU A 13 -23.043 -1.793 5.069 1.00 6.99 O ATOM 197 CB GLU A 13 -25.626 -2.802 3.727 1.00 8.41 C ATOM 198 CG GLU A 13 -26.545 -3.811 3.069 1.00 9.30 C ATOM 199 CD GLU A 13 -27.545 -3.173 2.129 1.00 10.20 C ATOM 200 OE1 GLU A 13 -27.326 -3.199 0.901 1.00 10.61 O ATOM 201 OE2 GLU A 13 -28.565 -2.646 2.622 1.00 10.66 O1- ATOM 0 H GLU A 13 -26.279 -3.340 6.397 1.00 7.77 H new ATOM 0 HA GLU A 13 -24.129 -4.129 4.531 1.00 7.68 H new ATOM 0 HB2 GLU A 13 -26.218 -1.958 4.082 1.00 8.41 H new ATOM 0 HB3 GLU A 13 -24.931 -2.413 2.982 1.00 8.41 H new ATOM 0 HG2 GLU A 13 -25.945 -4.535 2.517 1.00 9.30 H new ATOM 0 HG3 GLU A 13 -27.081 -4.364 3.841 1.00 9.30 H new ATOM 208 N THR A 14 -24.534 -1.880 6.748 1.00 6.67 N ATOM 209 CA THR A 14 -23.945 -0.776 7.473 1.00 6.26 C ATOM 210 C THR A 14 -23.635 -1.195 8.911 1.00 5.40 C ATOM 211 O THR A 14 -23.541 -0.364 9.817 1.00 5.42 O ATOM 212 CB THR A 14 -24.877 0.460 7.437 1.00 6.72 C ATOM 213 OG1 THR A 14 -24.242 1.594 8.042 1.00 7.42 O ATOM 214 CG2 THR A 14 -26.198 0.176 8.142 1.00 7.00 C ATOM 0 H THR A 14 -25.332 -2.313 7.213 1.00 6.67 H new ATOM 0 HA THR A 14 -23.008 -0.498 6.990 1.00 6.26 H new ATOM 0 HB THR A 14 -25.082 0.683 6.390 1.00 6.72 H new ATOM 0 HG1 THR A 14 -23.797 1.317 8.870 1.00 7.42 H new ATOM 0 HG21 THR A 14 -26.831 1.063 8.100 1.00 7.00 H new ATOM 0 HG22 THR A 14 -26.703 -0.654 7.648 1.00 7.00 H new ATOM 0 HG23 THR A 14 -26.006 -0.084 9.183 1.00 7.00 H new ATOM 222 N SER A 15 -23.469 -2.501 9.103 1.00 5.02 N ATOM 223 CA SER A 15 -23.110 -3.052 10.400 1.00 4.54 C ATOM 224 C SER A 15 -21.698 -2.615 10.776 1.00 3.88 C ATOM 225 O SER A 15 -20.759 -2.858 10.019 1.00 4.02 O ATOM 226 CB SER A 15 -23.207 -4.578 10.352 1.00 5.20 C ATOM 227 OG SER A 15 -22.549 -5.090 9.199 1.00 6.06 O ATOM 0 H SER A 15 -23.579 -3.200 8.368 1.00 5.02 H new ATOM 0 HA SER A 15 -23.799 -2.680 11.158 1.00 4.54 H new ATOM 0 HB2 SER A 15 -22.760 -5.004 11.250 1.00 5.20 H new ATOM 0 HB3 SER A 15 -24.254 -4.880 10.343 1.00 5.20 H new ATOM 0 HG SER A 15 -21.719 -4.591 9.047 1.00 6.06 H new ATOM 233 N GLN A 16 -21.565 -1.960 11.933 1.00 3.65 N ATOM 234 CA GLN A 16 -20.289 -1.385 12.376 1.00 3.49 C ATOM 235 C GLN A 16 -19.924 -0.173 11.520 1.00 2.88 C ATOM 236 O GLN A 16 -19.918 0.963 11.997 1.00 3.21 O ATOM 237 CB GLN A 16 -19.162 -2.423 12.335 1.00 4.06 C ATOM 238 CG GLN A 16 -17.787 -1.857 12.660 1.00 4.50 C ATOM 239 CD GLN A 16 -16.668 -2.856 12.426 1.00 5.43 C ATOM 240 OE1 GLN A 16 -16.969 -4.134 12.583 1.00 5.86 O flip ATOM 241 NE2 GLN A 16 -15.540 -2.481 12.100 1.00 6.06 N flip ATOM 0 H GLN A 16 -22.334 -1.813 12.587 1.00 3.65 H new ATOM 0 HA GLN A 16 -20.411 -1.064 13.410 1.00 3.49 H new ATOM 0 HB2 GLN A 16 -19.391 -3.221 13.041 1.00 4.06 H new ATOM 0 HB3 GLN A 16 -19.133 -2.874 11.343 1.00 4.06 H new ATOM 0 HG2 GLN A 16 -17.610 -0.971 12.050 1.00 4.50 H new ATOM 0 HG3 GLN A 16 -17.769 -1.535 13.701 1.00 4.50 H new ATOM 0 HE21 GLN A 16 -15.346 -1.486 11.989 1.00 6.06 H new ATOM 0 HE22 GLN A 16 -14.801 -3.166 11.942 1.00 6.06 H new ATOM 250 N SER A 17 -19.633 -0.419 10.255 1.00 2.48 N ATOM 251 CA SER A 17 -19.315 0.643 9.324 1.00 2.00 C ATOM 252 C SER A 17 -20.176 0.519 8.075 1.00 1.45 C ATOM 253 O SER A 17 -20.839 -0.498 7.867 1.00 1.99 O ATOM 254 CB SER A 17 -17.835 0.604 8.944 1.00 2.29 C ATOM 255 OG SER A 17 -17.004 0.605 10.096 1.00 2.91 O ATOM 0 H SER A 17 -19.611 -1.354 9.849 1.00 2.48 H new ATOM 0 HA SER A 17 -19.523 1.597 9.808 1.00 2.00 H new ATOM 0 HB2 SER A 17 -17.634 -0.287 8.349 1.00 2.29 H new ATOM 0 HB3 SER A 17 -17.595 1.465 8.320 1.00 2.29 H new ATOM 0 HG SER A 17 -16.064 0.578 9.821 1.00 2.91 H new ATOM 261 N THR A 18 -20.150 1.549 7.250 1.00 1.04 N ATOM 262 CA THR A 18 -20.933 1.591 6.025 1.00 0.58 C ATOM 263 C THR A 18 -20.293 0.738 4.943 1.00 0.63 C ATOM 264 O THR A 18 -19.489 -0.136 5.232 1.00 1.40 O ATOM 265 CB THR A 18 -21.019 3.033 5.513 1.00 0.91 C ATOM 266 OG1 THR A 18 -19.704 3.534 5.227 1.00 1.44 O ATOM 267 CG2 THR A 18 -21.673 3.923 6.548 1.00 1.26 C ATOM 0 H THR A 18 -19.585 2.383 7.409 1.00 1.04 H new ATOM 0 HA THR A 18 -21.927 1.205 6.250 1.00 0.58 H new ATOM 0 HB THR A 18 -21.619 3.037 4.603 1.00 0.91 H new ATOM 0 HG1 THR A 18 -19.212 3.660 6.065 1.00 1.44 H new ATOM 0 HG21 THR A 18 -21.726 4.944 6.169 1.00 1.26 H new ATOM 0 HG22 THR A 18 -22.680 3.560 6.756 1.00 1.26 H new ATOM 0 HG23 THR A 18 -21.085 3.907 7.465 1.00 1.26 H new ATOM 275 N THR A 19 -20.661 0.981 3.699 1.00 0.61 N ATOM 276 CA THR A 19 -19.924 0.432 2.581 1.00 0.56 C ATOM 277 C THR A 19 -19.340 1.561 1.763 1.00 0.64 C ATOM 278 O THR A 19 -19.973 2.600 1.566 1.00 1.25 O ATOM 279 CB THR A 19 -20.784 -0.473 1.683 1.00 0.63 C ATOM 280 OG1 THR A 19 -21.422 -1.492 2.471 1.00 0.66 O ATOM 281 CG2 THR A 19 -19.920 -1.118 0.607 1.00 0.66 C ATOM 0 H THR A 19 -21.464 1.554 3.440 1.00 0.61 H new ATOM 0 HA THR A 19 -19.131 -0.193 2.991 1.00 0.56 H new ATOM 0 HB THR A 19 -21.550 0.137 1.205 1.00 0.63 H new ATOM 0 HG1 THR A 19 -21.968 -2.061 1.890 1.00 0.66 H new ATOM 0 HG21 THR A 19 -20.540 -1.757 -0.023 1.00 0.66 H new ATOM 0 HG22 THR A 19 -19.460 -0.342 -0.004 1.00 0.66 H new ATOM 0 HG23 THR A 19 -19.141 -1.718 1.077 1.00 0.66 H new ATOM 289 N ALA A 20 -18.125 1.345 1.298 1.00 0.26 N ATOM 290 CA ALA A 20 -17.365 2.379 0.644 1.00 0.22 C ATOM 291 C ALA A 20 -17.906 2.712 -0.715 1.00 0.24 C ATOM 292 O ALA A 20 -18.783 2.041 -1.262 1.00 0.39 O ATOM 293 CB ALA A 20 -15.928 1.988 0.516 1.00 0.31 C ATOM 0 H ALA A 20 -17.643 0.449 1.365 1.00 0.26 H new ATOM 0 HA ALA A 20 -17.450 3.265 1.273 1.00 0.22 H new ATOM 0 HB1 ALA A 20 -15.377 2.786 0.019 1.00 0.31 H new ATOM 0 HB2 ALA A 20 -15.507 1.819 1.507 1.00 0.31 H new ATOM 0 HB3 ALA A 20 -15.851 1.073 -0.072 1.00 0.31 H new ATOM 299 N ASN A 21 -17.319 3.740 -1.251 1.00 0.23 N ATOM 300 CA ASN A 21 -17.737 4.340 -2.480 1.00 0.24 C ATOM 301 C ASN A 21 -16.629 4.149 -3.479 1.00 0.25 C ATOM 302 O ASN A 21 -15.484 4.018 -3.094 1.00 0.26 O ATOM 303 CB ASN A 21 -17.971 5.815 -2.187 1.00 0.27 C ATOM 304 CG ASN A 21 -19.016 5.992 -1.087 1.00 0.35 C ATOM 305 OD1 ASN A 21 -20.189 6.230 -1.372 1.00 0.43 O ATOM 306 ND2 ASN A 21 -18.608 5.827 0.176 1.00 0.35 N ATOM 0 H ASN A 21 -16.510 4.198 -0.830 1.00 0.23 H new ATOM 0 HA ASN A 21 -18.649 3.900 -2.884 1.00 0.24 H new ATOM 0 HB2 ASN A 21 -17.034 6.283 -1.883 1.00 0.27 H new ATOM 0 HB3 ASN A 21 -18.301 6.322 -3.093 1.00 0.27 H new ATOM 0 HD21 ASN A 21 -19.278 5.897 0.942 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -17.627 5.631 0.373 1.00 0.35 H new ATOM 313 N GLN A 22 -16.939 4.114 -4.751 1.00 0.34 N ATOM 314 CA GLN A 22 -15.904 3.882 -5.748 1.00 0.40 C ATOM 315 C GLN A 22 -15.096 5.138 -5.990 1.00 0.42 C ATOM 316 O GLN A 22 -14.054 5.104 -6.633 1.00 0.48 O ATOM 317 CB GLN A 22 -16.507 3.380 -7.047 1.00 0.51 C ATOM 318 CG GLN A 22 -16.524 1.869 -7.176 1.00 0.51 C ATOM 319 CD GLN A 22 -16.803 1.187 -5.861 1.00 0.58 C ATOM 320 OE1 GLN A 22 -15.754 0.976 -5.091 1.00 1.00 O flip ATOM 321 NE2 GLN A 22 -17.948 0.887 -5.524 1.00 0.38 N flip ATOM 0 H GLN A 22 -17.880 4.240 -5.124 1.00 0.34 H new ATOM 0 HA GLN A 22 -15.234 3.114 -5.362 1.00 0.40 H new ATOM 0 HB2 GLN A 22 -17.528 3.753 -7.130 1.00 0.51 H new ATOM 0 HB3 GLN A 22 -15.946 3.799 -7.882 1.00 0.51 H new ATOM 0 HG2 GLN A 22 -17.282 1.577 -7.903 1.00 0.51 H new ATOM 0 HG3 GLN A 22 -15.564 1.529 -7.563 1.00 0.51 H new ATOM 0 HE21 GLN A 22 -18.729 1.070 -6.154 1.00 0.38 H new ATOM 0 HE22 GLN A 22 -18.116 0.456 -4.615 1.00 0.38 H new ATOM 330 N SER A 23 -15.575 6.238 -5.456 1.00 0.41 N ATOM 331 CA SER A 23 -14.808 7.451 -5.434 1.00 0.47 C ATOM 332 C SER A 23 -13.883 7.413 -4.237 1.00 0.41 C ATOM 333 O SER A 23 -12.987 8.244 -4.080 1.00 0.49 O ATOM 334 CB SER A 23 -15.740 8.662 -5.389 1.00 0.52 C ATOM 335 OG SER A 23 -16.783 8.459 -4.447 1.00 1.36 O ATOM 0 H SER A 23 -16.499 6.312 -5.030 1.00 0.41 H new ATOM 0 HA SER A 23 -14.208 7.539 -6.340 1.00 0.47 H new ATOM 0 HB2 SER A 23 -15.172 9.554 -5.124 1.00 0.52 H new ATOM 0 HB3 SER A 23 -16.165 8.837 -6.377 1.00 0.52 H new ATOM 0 HG SER A 23 -17.368 9.245 -4.432 1.00 1.36 H new ATOM 341 N ASP A 24 -14.122 6.422 -3.394 1.00 0.31 N ATOM 342 CA ASP A 24 -13.283 6.153 -2.265 1.00 0.34 C ATOM 343 C ASP A 24 -12.324 5.042 -2.617 1.00 0.35 C ATOM 344 O ASP A 24 -11.118 5.128 -2.403 1.00 0.53 O ATOM 345 CB ASP A 24 -14.115 5.701 -1.078 1.00 0.36 C ATOM 346 CG ASP A 24 -15.086 6.748 -0.575 1.00 0.86 C ATOM 347 OD1 ASP A 24 -16.052 6.364 0.109 1.00 1.27 O ATOM 348 OD2 ASP A 24 -14.892 7.954 -0.851 1.00 1.09 O1- ATOM 0 H ASP A 24 -14.912 5.784 -3.485 1.00 0.31 H new ATOM 0 HA ASP A 24 -12.746 7.065 -2.006 1.00 0.34 H new ATOM 0 HB2 ASP A 24 -14.672 4.807 -1.357 1.00 0.36 H new ATOM 0 HB3 ASP A 24 -13.446 5.419 -0.265 1.00 0.36 H new ATOM 353 N VAL A 25 -12.901 4.010 -3.203 1.00 0.22 N ATOM 354 CA VAL A 25 -12.246 2.734 -3.353 1.00 0.20 C ATOM 355 C VAL A 25 -11.372 2.663 -4.586 1.00 0.22 C ATOM 356 O VAL A 25 -10.203 2.308 -4.498 1.00 0.23 O ATOM 357 CB VAL A 25 -13.272 1.584 -3.393 1.00 0.30 C ATOM 358 CG1 VAL A 25 -12.604 0.265 -3.728 1.00 1.01 C ATOM 359 CG2 VAL A 25 -14.003 1.473 -2.078 1.00 0.85 C ATOM 0 H VAL A 25 -13.844 4.039 -3.590 1.00 0.22 H new ATOM 0 HA VAL A 25 -11.603 2.625 -2.479 1.00 0.20 H new ATOM 0 HB VAL A 25 -13.993 1.813 -4.178 1.00 0.30 H new ATOM 0 HG11 VAL A 25 -13.353 -0.527 -3.749 1.00 1.01 H new ATOM 0 HG12 VAL A 25 -12.125 0.337 -4.704 1.00 1.01 H new ATOM 0 HG13 VAL A 25 -11.853 0.035 -2.972 1.00 1.01 H new ATOM 0 HG21 VAL A 25 -14.722 0.655 -2.129 1.00 0.85 H new ATOM 0 HG22 VAL A 25 -13.287 1.278 -1.279 1.00 0.85 H new ATOM 0 HG23 VAL A 25 -14.529 2.406 -1.874 1.00 0.85 H new ATOM 369 N ASP A 26 -11.954 2.969 -5.726 1.00 0.25 N ATOM 370 CA ASP A 26 -11.257 2.871 -7.002 1.00 0.27 C ATOM 371 C ASP A 26 -9.943 3.642 -6.983 1.00 0.23 C ATOM 372 O ASP A 26 -8.908 3.087 -7.299 1.00 0.22 O ATOM 373 CB ASP A 26 -12.135 3.362 -8.153 1.00 0.32 C ATOM 374 CG ASP A 26 -11.398 3.370 -9.477 1.00 0.39 C ATOM 375 OD1 ASP A 26 -10.976 2.285 -9.928 1.00 0.51 O ATOM 376 OD2 ASP A 26 -11.246 4.456 -10.077 1.00 0.46 O1- ATOM 0 H ASP A 26 -12.919 3.292 -5.800 1.00 0.25 H new ATOM 0 HA ASP A 26 -11.033 1.816 -7.161 1.00 0.27 H new ATOM 0 HB2 ASP A 26 -13.015 2.724 -8.234 1.00 0.32 H new ATOM 0 HB3 ASP A 26 -12.491 4.368 -7.932 1.00 0.32 H new ATOM 381 N ASP A 27 -9.989 4.907 -6.576 1.00 0.22 N ATOM 382 CA ASP A 27 -8.789 5.747 -6.520 1.00 0.21 C ATOM 383 C ASP A 27 -7.830 5.197 -5.505 1.00 0.16 C ATOM 384 O ASP A 27 -6.623 5.182 -5.730 1.00 0.16 O ATOM 385 CB ASP A 27 -9.113 7.191 -6.130 1.00 0.24 C ATOM 386 CG ASP A 27 -9.778 7.975 -7.239 1.00 0.29 C ATOM 387 OD1 ASP A 27 -10.974 7.742 -7.502 1.00 0.42 O ATOM 388 OD2 ASP A 27 -9.113 8.846 -7.840 1.00 0.45 O1- ATOM 0 H ASP A 27 -10.844 5.377 -6.279 1.00 0.22 H new ATOM 0 HA ASP A 27 -8.351 5.743 -7.518 1.00 0.21 H new ATOM 0 HB2 ASP A 27 -9.765 7.187 -5.256 1.00 0.24 H new ATOM 0 HB3 ASP A 27 -8.192 7.697 -5.838 1.00 0.24 H new ATOM 393 N PHE A 28 -8.381 4.748 -4.385 1.00 0.13 N ATOM 394 CA PHE A 28 -7.586 4.110 -3.364 1.00 0.10 C ATOM 395 C PHE A 28 -6.818 2.997 -4.000 1.00 0.10 C ATOM 396 O PHE A 28 -5.606 3.038 -4.111 1.00 0.09 O ATOM 397 CB PHE A 28 -8.447 3.518 -2.247 1.00 0.09 C ATOM 398 CG PHE A 28 -7.641 2.686 -1.310 1.00 0.08 C ATOM 399 CD1 PHE A 28 -6.915 3.288 -0.314 1.00 0.08 C ATOM 400 CD2 PHE A 28 -7.577 1.313 -1.449 1.00 0.08 C ATOM 401 CE1 PHE A 28 -6.133 2.546 0.528 1.00 0.11 C ATOM 402 CE2 PHE A 28 -6.798 0.566 -0.608 1.00 0.10 C ATOM 403 CZ PHE A 28 -6.069 1.175 0.379 1.00 0.08 C ATOM 0 H PHE A 28 -9.375 4.817 -4.168 1.00 0.13 H new ATOM 0 HA PHE A 28 -6.931 4.862 -2.924 1.00 0.10 H new ATOM 0 HB2 PHE A 28 -8.930 4.324 -1.694 1.00 0.09 H new ATOM 0 HB3 PHE A 28 -9.240 2.910 -2.683 1.00 0.09 H new ATOM 0 HD1 PHE A 28 -6.961 4.360 -0.193 1.00 0.08 H new ATOM 0 HD2 PHE A 28 -8.146 0.826 -2.227 1.00 0.08 H new ATOM 0 HE1 PHE A 28 -5.566 3.032 1.308 1.00 0.11 H new ATOM 0 HE2 PHE A 28 -6.758 -0.507 -0.723 1.00 0.10 H new ATOM 0 HZ PHE A 28 -5.448 0.586 1.037 1.00 0.08 H new ATOM 413 N ASN A 29 -7.580 2.048 -4.481 1.00 0.12 N ATOM 414 CA ASN A 29 -7.058 0.820 -5.044 1.00 0.13 C ATOM 415 C ASN A 29 -6.187 1.089 -6.230 1.00 0.13 C ATOM 416 O ASN A 29 -5.266 0.342 -6.518 1.00 0.14 O ATOM 417 CB ASN A 29 -8.213 -0.072 -5.458 1.00 0.19 C ATOM 418 CG ASN A 29 -8.679 -0.950 -4.328 1.00 0.23 C ATOM 419 OD1 ASN A 29 -8.222 -2.079 -4.174 1.00 0.30 O ATOM 420 ND2 ASN A 29 -9.571 -0.425 -3.517 1.00 0.23 N ATOM 0 H ASN A 29 -8.598 2.104 -4.495 1.00 0.12 H new ATOM 0 HA ASN A 29 -6.452 0.326 -4.284 1.00 0.13 H new ATOM 0 HB2 ASN A 29 -9.042 0.545 -5.803 1.00 0.19 H new ATOM 0 HB3 ASN A 29 -7.907 -0.695 -6.299 1.00 0.19 H new ATOM 0 HD21 ASN A 29 -9.912 -0.961 -2.719 1.00 0.23 H new ATOM 0 HD22 ASN A 29 -9.922 0.518 -3.686 1.00 0.23 H new ATOM 427 N THR A 30 -6.464 2.171 -6.896 1.00 0.13 N ATOM 428 CA THR A 30 -5.765 2.497 -8.093 1.00 0.14 C ATOM 429 C THR A 30 -4.413 3.084 -7.780 1.00 0.12 C ATOM 430 O THR A 30 -3.401 2.682 -8.344 1.00 0.12 O ATOM 431 CB THR A 30 -6.569 3.487 -8.919 1.00 0.17 C ATOM 432 OG1 THR A 30 -7.671 2.827 -9.556 1.00 0.20 O ATOM 433 CG2 THR A 30 -5.697 4.160 -9.949 1.00 0.17 C ATOM 0 H THR A 30 -7.178 2.846 -6.623 1.00 0.13 H new ATOM 0 HA THR A 30 -5.626 1.579 -8.664 1.00 0.14 H new ATOM 0 HB THR A 30 -6.959 4.252 -8.248 1.00 0.17 H new ATOM 0 HG1 THR A 30 -8.462 2.881 -8.980 1.00 0.20 H new ATOM 0 HG21 THR A 30 -6.295 4.864 -10.528 1.00 0.17 H new ATOM 0 HG22 THR A 30 -4.890 4.695 -9.449 1.00 0.17 H new ATOM 0 HG23 THR A 30 -5.275 3.408 -10.616 1.00 0.17 H new ATOM 441 N LEU A 31 -4.406 4.020 -6.857 1.00 0.12 N ATOM 442 CA LEU A 31 -3.194 4.678 -6.470 1.00 0.12 C ATOM 443 C LEU A 31 -2.361 3.677 -5.718 1.00 0.11 C ATOM 444 O LEU A 31 -1.150 3.653 -5.801 1.00 0.12 O ATOM 445 CB LEU A 31 -3.531 5.881 -5.605 1.00 0.14 C ATOM 446 CG LEU A 31 -2.366 6.828 -5.326 1.00 0.17 C ATOM 447 CD1 LEU A 31 -1.630 7.162 -6.612 1.00 0.40 C ATOM 448 CD2 LEU A 31 -2.879 8.092 -4.673 1.00 0.53 C ATOM 0 H LEU A 31 -5.238 4.339 -6.361 1.00 0.12 H new ATOM 0 HA LEU A 31 -2.638 5.039 -7.335 1.00 0.12 H new ATOM 0 HB2 LEU A 31 -4.328 6.445 -6.089 1.00 0.14 H new ATOM 0 HB3 LEU A 31 -3.925 5.525 -4.653 1.00 0.14 H new ATOM 0 HG LEU A 31 -1.667 6.335 -4.650 1.00 0.17 H new ATOM 0 HD11 LEU A 31 -0.803 7.838 -6.393 1.00 0.40 H new ATOM 0 HD12 LEU A 31 -1.242 6.246 -7.057 1.00 0.40 H new ATOM 0 HD13 LEU A 31 -2.316 7.642 -7.310 1.00 0.40 H new ATOM 0 HD21 LEU A 31 -2.044 8.764 -4.476 1.00 0.53 H new ATOM 0 HD22 LEU A 31 -3.590 8.582 -5.338 1.00 0.53 H new ATOM 0 HD23 LEU A 31 -3.373 7.842 -3.734 1.00 0.53 H new ATOM 460 N TYR A 32 -3.081 2.811 -5.050 1.00 0.09 N ATOM 461 CA TYR A 32 -2.543 1.695 -4.304 1.00 0.07 C ATOM 462 C TYR A 32 -1.864 0.709 -5.229 1.00 0.08 C ATOM 463 O TYR A 32 -0.742 0.274 -4.982 1.00 0.08 O ATOM 464 CB TYR A 32 -3.725 1.061 -3.622 1.00 0.07 C ATOM 465 CG TYR A 32 -3.518 -0.312 -3.064 1.00 0.06 C ATOM 466 CD1 TYR A 32 -2.985 -0.474 -1.798 1.00 0.06 C ATOM 467 CD2 TYR A 32 -3.814 -1.434 -3.806 1.00 0.08 C ATOM 468 CE1 TYR A 32 -2.752 -1.727 -1.284 1.00 0.09 C ATOM 469 CE2 TYR A 32 -3.591 -2.693 -3.303 1.00 0.10 C ATOM 470 CZ TYR A 32 -3.214 -2.857 -2.026 1.00 0.08 C ATOM 471 OH TYR A 32 -2.822 -4.097 -1.536 1.00 0.15 O ATOM 0 H TYR A 32 -4.099 2.864 -5.008 1.00 0.09 H new ATOM 0 HA TYR A 32 -1.788 2.016 -3.586 1.00 0.07 H new ATOM 0 HB2 TYR A 32 -4.041 1.715 -2.809 1.00 0.07 H new ATOM 0 HB3 TYR A 32 -4.548 1.019 -4.335 1.00 0.07 H new ATOM 0 HD1 TYR A 32 -2.748 0.397 -1.205 1.00 0.06 H new ATOM 0 HD2 TYR A 32 -4.227 -1.323 -4.798 1.00 0.08 H new ATOM 0 HE1 TYR A 32 -2.234 -1.854 -0.345 1.00 0.09 H new ATOM 0 HE2 TYR A 32 -3.720 -3.556 -3.940 1.00 0.10 H new ATOM 0 HH TYR A 32 -3.186 -4.805 -2.108 1.00 0.15 H new ATOM 481 N ASP A 33 -2.558 0.382 -6.308 1.00 0.10 N ATOM 482 CA ASP A 33 -2.039 -0.508 -7.327 1.00 0.11 C ATOM 483 C ASP A 33 -0.846 0.138 -7.967 1.00 0.09 C ATOM 484 O ASP A 33 0.077 -0.511 -8.450 1.00 0.11 O ATOM 485 CB ASP A 33 -3.089 -0.772 -8.399 1.00 0.16 C ATOM 486 CG ASP A 33 -3.772 -2.115 -8.223 1.00 0.31 C ATOM 487 OD1 ASP A 33 -4.657 -2.225 -7.351 1.00 0.42 O ATOM 488 OD2 ASP A 33 -3.444 -3.066 -8.967 1.00 0.52 O1- ATOM 0 H ASP A 33 -3.498 0.728 -6.499 1.00 0.10 H new ATOM 0 HA ASP A 33 -1.765 -1.455 -6.863 1.00 0.11 H new ATOM 0 HB2 ASP A 33 -3.838 0.019 -8.372 1.00 0.16 H new ATOM 0 HB3 ASP A 33 -2.619 -0.733 -9.382 1.00 0.16 H new ATOM 493 N ALA A 34 -0.899 1.444 -7.927 1.00 0.08 N ATOM 494 CA ALA A 34 0.072 2.295 -8.554 1.00 0.09 C ATOM 495 C ALA A 34 1.396 2.277 -7.814 1.00 0.08 C ATOM 496 O ALA A 34 2.456 2.403 -8.429 1.00 0.09 O ATOM 497 CB ALA A 34 -0.473 3.687 -8.590 1.00 0.10 C ATOM 0 H ALA A 34 -1.638 1.956 -7.445 1.00 0.08 H new ATOM 0 HA ALA A 34 0.260 1.929 -9.563 1.00 0.09 H new ATOM 0 HB1 ALA A 34 0.252 4.349 -9.064 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -1.402 3.699 -9.160 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -0.666 4.028 -7.573 1.00 0.10 H new ATOM 503 N PHE A 35 1.330 2.122 -6.487 1.00 0.06 N ATOM 504 CA PHE A 35 2.531 2.019 -5.667 1.00 0.06 C ATOM 505 C PHE A 35 3.305 0.816 -6.077 1.00 0.06 C ATOM 506 O PHE A 35 4.476 0.691 -5.795 1.00 0.08 O ATOM 507 CB PHE A 35 2.190 1.839 -4.209 1.00 0.05 C ATOM 508 CG PHE A 35 1.758 3.074 -3.525 1.00 0.05 C ATOM 509 CD1 PHE A 35 2.619 3.722 -2.685 1.00 0.05 C ATOM 510 CD2 PHE A 35 0.492 3.580 -3.721 1.00 0.06 C ATOM 511 CE1 PHE A 35 2.236 4.861 -2.029 1.00 0.06 C ATOM 512 CE2 PHE A 35 0.098 4.725 -3.079 1.00 0.06 C ATOM 513 CZ PHE A 35 0.935 5.380 -2.274 1.00 0.06 C ATOM 0 H PHE A 35 0.457 2.066 -5.963 1.00 0.06 H new ATOM 0 HA PHE A 35 3.099 2.939 -5.805 1.00 0.06 H new ATOM 0 HB2 PHE A 35 1.398 1.095 -4.123 1.00 0.05 H new ATOM 0 HB3 PHE A 35 3.062 1.438 -3.692 1.00 0.05 H new ATOM 0 HD1 PHE A 35 3.615 3.331 -2.537 1.00 0.05 H new ATOM 0 HD2 PHE A 35 -0.193 3.072 -4.384 1.00 0.06 H new ATOM 0 HE1 PHE A 35 2.907 5.354 -1.341 1.00 0.06 H new ATOM 0 HE2 PHE A 35 -0.903 5.102 -3.227 1.00 0.06 H new ATOM 0 HZ PHE A 35 0.625 6.304 -1.808 1.00 0.06 H new ATOM 523 N TYR A 36 2.612 -0.087 -6.703 1.00 0.06 N ATOM 524 CA TYR A 36 3.218 -1.279 -7.186 1.00 0.06 C ATOM 525 C TYR A 36 3.597 -1.092 -8.623 1.00 0.08 C ATOM 526 O TYR A 36 2.800 -0.666 -9.457 1.00 0.11 O ATOM 527 CB TYR A 36 2.285 -2.459 -7.037 1.00 0.07 C ATOM 528 CG TYR A 36 1.842 -2.709 -5.625 1.00 0.06 C ATOM 529 CD1 TYR A 36 2.707 -3.276 -4.707 1.00 0.07 C ATOM 530 CD2 TYR A 36 0.552 -2.412 -5.218 1.00 0.07 C ATOM 531 CE1 TYR A 36 2.296 -3.544 -3.419 1.00 0.09 C ATOM 532 CE2 TYR A 36 0.134 -2.668 -3.932 1.00 0.08 C ATOM 533 CZ TYR A 36 1.006 -3.237 -3.037 1.00 0.07 C ATOM 534 OH TYR A 36 0.584 -3.511 -1.759 1.00 0.11 O ATOM 0 H TYR A 36 1.612 -0.013 -6.890 1.00 0.06 H new ATOM 0 HA TYR A 36 4.112 -1.485 -6.597 1.00 0.06 H new ATOM 0 HB2 TYR A 36 1.406 -2.295 -7.660 1.00 0.07 H new ATOM 0 HB3 TYR A 36 2.782 -3.353 -7.415 1.00 0.07 H new ATOM 0 HD1 TYR A 36 3.718 -3.512 -5.003 1.00 0.07 H new ATOM 0 HD2 TYR A 36 -0.138 -1.972 -5.922 1.00 0.07 H new ATOM 0 HE1 TYR A 36 2.980 -3.992 -2.713 1.00 0.09 H new ATOM 0 HE2 TYR A 36 -0.873 -2.423 -3.629 1.00 0.08 H new ATOM 0 HH TYR A 36 -0.350 -3.231 -1.656 1.00 0.11 H new ATOM 544 N THR A 37 4.841 -1.377 -8.873 1.00 0.08 N ATOM 545 CA THR A 37 5.418 -1.234 -10.206 1.00 0.11 C ATOM 546 C THR A 37 4.673 -2.106 -11.214 1.00 0.14 C ATOM 547 O THR A 37 4.621 -1.800 -12.407 1.00 0.17 O ATOM 548 CB THR A 37 6.912 -1.605 -10.217 1.00 0.12 C ATOM 549 OG1 THR A 37 7.075 -3.027 -10.258 1.00 0.14 O ATOM 550 CG2 THR A 37 7.584 -1.087 -8.974 1.00 0.11 C ATOM 0 H THR A 37 5.496 -1.716 -8.169 1.00 0.08 H new ATOM 0 HA THR A 37 5.318 -0.186 -10.489 1.00 0.11 H new ATOM 0 HB THR A 37 7.363 -1.156 -11.102 1.00 0.12 H new ATOM 0 HG1 THR A 37 8.030 -3.247 -10.266 1.00 0.14 H new ATOM 0 HG21 THR A 37 8.640 -1.355 -8.993 1.00 0.11 H new ATOM 0 HG22 THR A 37 7.486 -0.002 -8.932 1.00 0.11 H new ATOM 0 HG23 THR A 37 7.113 -1.528 -8.095 1.00 0.11 H new ATOM 558 N ASN A 38 4.095 -3.190 -10.717 1.00 0.15 N ATOM 559 CA ASN A 38 3.323 -4.102 -11.532 1.00 0.26 C ATOM 560 C ASN A 38 2.216 -4.698 -10.677 1.00 0.29 C ATOM 561 O ASN A 38 2.363 -4.804 -9.457 1.00 0.71 O ATOM 562 CB ASN A 38 4.229 -5.189 -12.125 1.00 0.38 C ATOM 563 CG ASN A 38 4.880 -6.072 -11.077 1.00 0.65 C ATOM 564 OD1 ASN A 38 4.309 -7.241 -10.852 1.00 1.52 O flip ATOM 565 ND2 ASN A 38 5.911 -5.727 -10.503 1.00 0.99 N flip ATOM 0 H ASN A 38 4.151 -3.458 -9.734 1.00 0.15 H new ATOM 0 HA ASN A 38 2.874 -3.569 -12.370 1.00 0.26 H new ATOM 0 HB2 ASN A 38 3.642 -5.812 -12.800 1.00 0.38 H new ATOM 0 HB3 ASN A 38 5.007 -4.716 -12.724 1.00 0.38 H new ATOM 0 HD21 ASN A 38 6.325 -4.816 -10.701 1.00 0.99 H new ATOM 0 HD22 ASN A 38 6.353 -6.352 -9.828 1.00 0.99 H new ATOM 572 N SER A 39 1.118 -5.090 -11.308 1.00 0.33 N ATOM 573 CA SER A 39 -0.105 -5.430 -10.587 1.00 0.28 C ATOM 574 C SER A 39 -0.018 -6.752 -9.823 1.00 0.22 C ATOM 575 O SER A 39 -0.998 -7.180 -9.217 1.00 0.24 O ATOM 576 CB SER A 39 -1.290 -5.451 -11.543 1.00 0.35 C ATOM 577 OG SER A 39 -0.958 -6.113 -12.754 1.00 0.36 O ATOM 0 H SER A 39 1.047 -5.181 -12.321 1.00 0.33 H new ATOM 0 HA SER A 39 -0.245 -4.652 -9.837 1.00 0.28 H new ATOM 0 HB2 SER A 39 -2.134 -5.953 -11.070 1.00 0.35 H new ATOM 0 HB3 SER A 39 -1.606 -4.430 -11.758 1.00 0.35 H new ATOM 0 HG SER A 39 -0.620 -5.460 -13.402 1.00 0.36 H new ATOM 583 N ASN A 40 1.138 -7.404 -9.846 1.00 0.20 N ATOM 584 CA ASN A 40 1.363 -8.536 -8.954 1.00 0.20 C ATOM 585 C ASN A 40 1.608 -8.014 -7.555 1.00 0.16 C ATOM 586 O ASN A 40 1.488 -8.742 -6.570 1.00 0.18 O ATOM 587 CB ASN A 40 2.534 -9.412 -9.389 1.00 0.26 C ATOM 588 CG ASN A 40 2.294 -10.110 -10.712 1.00 0.43 C ATOM 589 OD1 ASN A 40 1.157 -10.412 -11.072 1.00 1.09 O ATOM 590 ND2 ASN A 40 3.365 -10.381 -11.440 1.00 1.15 N ATOM 0 H ASN A 40 1.920 -7.175 -10.459 1.00 0.20 H new ATOM 0 HA ASN A 40 0.473 -9.164 -8.986 1.00 0.20 H new ATOM 0 HB2 ASN A 40 3.431 -8.797 -9.467 1.00 0.26 H new ATOM 0 HB3 ASN A 40 2.726 -10.160 -8.620 1.00 0.26 H new ATOM 0 HD21 ASN A 40 3.265 -10.858 -12.336 1.00 1.15 H new ATOM 0 HD22 ASN A 40 4.290 -10.113 -11.105 1.00 1.15 H new ATOM 597 N LYS A 41 1.929 -6.709 -7.497 1.00 0.13 N ATOM 598 CA LYS A 41 2.119 -5.996 -6.253 1.00 0.11 C ATOM 599 C LYS A 41 3.181 -6.658 -5.422 1.00 0.11 C ATOM 600 O LYS A 41 3.087 -6.783 -4.205 1.00 0.12 O ATOM 601 CB LYS A 41 0.778 -5.882 -5.577 1.00 0.11 C ATOM 602 CG LYS A 41 -0.244 -5.365 -6.555 1.00 0.13 C ATOM 603 CD LYS A 41 -1.632 -5.594 -6.060 1.00 0.17 C ATOM 604 CE LYS A 41 -2.325 -4.290 -5.853 1.00 0.20 C ATOM 605 NZ LYS A 41 -3.805 -4.444 -5.873 1.00 0.66 N1+ ATOM 0 H LYS A 41 2.061 -6.129 -8.326 1.00 0.13 H new ATOM 0 HA LYS A 41 2.490 -4.985 -6.420 1.00 0.11 H new ATOM 0 HB2 LYS A 41 0.469 -6.855 -5.195 1.00 0.11 H new ATOM 0 HB3 LYS A 41 0.848 -5.211 -4.721 1.00 0.11 H new ATOM 0 HG2 LYS A 41 -0.086 -4.299 -6.720 1.00 0.13 H new ATOM 0 HG3 LYS A 41 -0.113 -5.860 -7.517 1.00 0.13 H new ATOM 0 HD2 LYS A 41 -2.187 -6.199 -6.777 1.00 0.17 H new ATOM 0 HD3 LYS A 41 -1.605 -6.153 -5.124 1.00 0.17 H new ATOM 0 HE2 LYS A 41 -2.017 -3.861 -4.899 1.00 0.20 H new ATOM 0 HE3 LYS A 41 -2.021 -3.589 -6.631 1.00 0.20 H new ATOM 0 HZ1 LYS A 41 -4.246 -3.530 -6.100 1.00 0.66 H new ATOM 0 HZ2 LYS A 41 -4.071 -5.145 -6.593 1.00 0.66 H new ATOM 0 HZ3 LYS A 41 -4.133 -4.765 -4.940 1.00 0.66 H new ATOM 619 N THR A 42 4.212 -7.045 -6.141 1.00 0.11 N ATOM 620 CA THR A 42 5.369 -7.710 -5.602 1.00 0.12 C ATOM 621 C THR A 42 6.557 -6.762 -5.624 1.00 0.10 C ATOM 622 O THR A 42 7.666 -7.097 -5.216 1.00 0.13 O ATOM 623 CB THR A 42 5.653 -8.940 -6.458 1.00 0.16 C ATOM 624 OG1 THR A 42 5.758 -8.547 -7.836 1.00 0.18 O ATOM 625 CG2 THR A 42 4.517 -9.927 -6.300 1.00 0.21 C ATOM 0 H THR A 42 4.266 -6.899 -7.149 1.00 0.11 H new ATOM 0 HA THR A 42 5.191 -8.013 -4.570 1.00 0.12 H new ATOM 0 HB THR A 42 6.588 -9.403 -6.141 1.00 0.16 H new ATOM 0 HG1 THR A 42 5.942 -9.336 -8.388 1.00 0.18 H new ATOM 0 HG21 THR A 42 4.714 -10.809 -6.910 1.00 0.21 H new ATOM 0 HG22 THR A 42 4.433 -10.221 -5.254 1.00 0.21 H new ATOM 0 HG23 THR A 42 3.585 -9.464 -6.623 1.00 0.21 H new ATOM 633 N ALA A 43 6.278 -5.552 -6.085 1.00 0.09 N ATOM 634 CA ALA A 43 7.288 -4.539 -6.293 1.00 0.09 C ATOM 635 C ALA A 43 6.644 -3.173 -6.232 1.00 0.07 C ATOM 636 O ALA A 43 5.483 -3.019 -6.599 1.00 0.09 O ATOM 637 CB ALA A 43 7.961 -4.742 -7.629 1.00 0.10 C ATOM 0 H ALA A 43 5.334 -5.248 -6.326 1.00 0.09 H new ATOM 0 HA ALA A 43 8.045 -4.615 -5.512 1.00 0.09 H new ATOM 0 HB1 ALA A 43 8.720 -3.973 -7.775 1.00 0.10 H new ATOM 0 HB2 ALA A 43 8.431 -5.725 -7.654 1.00 0.10 H new ATOM 0 HB3 ALA A 43 7.219 -4.674 -8.424 1.00 0.10 H new ATOM 643 N LEU A 44 7.388 -2.193 -5.764 1.00 0.06 N ATOM 644 CA LEU A 44 6.841 -0.885 -5.505 1.00 0.06 C ATOM 645 C LEU A 44 7.583 0.252 -6.182 1.00 0.08 C ATOM 646 O LEU A 44 8.812 0.269 -6.266 1.00 0.09 O ATOM 647 CB LEU A 44 6.828 -0.676 -4.020 1.00 0.06 C ATOM 648 CG LEU A 44 5.812 -1.532 -3.316 1.00 0.04 C ATOM 649 CD1 LEU A 44 6.468 -2.431 -2.308 1.00 0.05 C ATOM 650 CD2 LEU A 44 4.847 -0.648 -2.632 1.00 0.05 C ATOM 0 H LEU A 44 8.382 -2.283 -5.555 1.00 0.06 H new ATOM 0 HA LEU A 44 5.838 -0.863 -5.930 1.00 0.06 H new ATOM 0 HB2 LEU A 44 7.818 -0.893 -3.619 1.00 0.06 H new ATOM 0 HB3 LEU A 44 6.621 0.373 -3.808 1.00 0.06 H new ATOM 0 HG LEU A 44 5.306 -2.159 -4.050 1.00 0.04 H new ATOM 0 HD11 LEU A 44 5.710 -3.038 -1.814 1.00 0.05 H new ATOM 0 HD12 LEU A 44 7.183 -3.082 -2.812 1.00 0.05 H new ATOM 0 HD13 LEU A 44 6.989 -1.826 -1.565 1.00 0.05 H new ATOM 0 HD21 LEU A 44 4.102 -1.253 -2.116 1.00 0.05 H new ATOM 0 HD22 LEU A 44 5.373 -0.025 -1.909 1.00 0.05 H new ATOM 0 HD23 LEU A 44 4.352 -0.012 -3.366 1.00 0.05 H new ATOM 662 N LYS A 45 6.788 1.193 -6.659 1.00 0.10 N ATOM 663 CA LYS A 45 7.258 2.399 -7.273 1.00 0.12 C ATOM 664 C LYS A 45 7.428 3.455 -6.228 1.00 0.12 C ATOM 665 O LYS A 45 6.535 3.714 -5.424 1.00 0.14 O ATOM 666 CB LYS A 45 6.274 2.901 -8.313 1.00 0.15 C ATOM 667 CG LYS A 45 6.675 2.578 -9.730 1.00 0.26 C ATOM 668 CD LYS A 45 8.023 3.191 -10.090 1.00 1.23 C ATOM 669 CE LYS A 45 8.331 3.064 -11.575 1.00 1.55 C ATOM 670 NZ LYS A 45 7.364 3.818 -12.415 1.00 1.95 N1+ ATOM 0 H LYS A 45 5.771 1.127 -6.624 1.00 0.10 H new ATOM 0 HA LYS A 45 8.209 2.184 -7.760 1.00 0.12 H new ATOM 0 HB2 LYS A 45 5.294 2.466 -8.114 1.00 0.15 H new ATOM 0 HB3 LYS A 45 6.170 3.981 -8.211 1.00 0.15 H new ATOM 0 HG2 LYS A 45 6.722 1.496 -9.857 1.00 0.26 H new ATOM 0 HG3 LYS A 45 5.913 2.947 -10.417 1.00 0.26 H new ATOM 0 HD2 LYS A 45 8.029 4.244 -9.808 1.00 1.23 H new ATOM 0 HD3 LYS A 45 8.809 2.702 -9.514 1.00 1.23 H new ATOM 0 HE2 LYS A 45 9.340 3.430 -11.768 1.00 1.55 H new ATOM 0 HE3 LYS A 45 8.314 2.012 -11.859 1.00 1.55 H new ATOM 0 HZ1 LYS A 45 7.759 3.948 -13.368 1.00 1.95 H new ATOM 0 HZ2 LYS A 45 6.472 3.287 -12.479 1.00 1.95 H new ATOM 0 HZ3 LYS A 45 7.183 4.748 -11.986 1.00 1.95 H new ATOM 684 N ASN A 46 8.549 4.091 -6.291 1.00 0.15 N ATOM 685 CA ASN A 46 8.979 4.965 -5.220 1.00 0.15 C ATOM 686 C ASN A 46 8.379 6.354 -5.341 1.00 0.14 C ATOM 687 O ASN A 46 8.273 7.082 -4.355 1.00 0.17 O ATOM 688 CB ASN A 46 10.487 5.008 -5.178 1.00 0.22 C ATOM 689 CG ASN A 46 11.004 3.641 -4.911 1.00 0.62 C ATOM 690 OD1 ASN A 46 10.988 2.782 -5.784 1.00 1.78 O ATOM 691 ND2 ASN A 46 11.443 3.420 -3.701 1.00 0.54 N ATOM 0 H ASN A 46 9.199 4.029 -7.075 1.00 0.15 H new ATOM 0 HA ASN A 46 8.613 4.560 -4.276 1.00 0.15 H new ATOM 0 HB2 ASN A 46 10.879 5.380 -6.124 1.00 0.22 H new ATOM 0 HB3 ASN A 46 10.822 5.695 -4.401 1.00 0.22 H new ATOM 0 HD21 ASN A 46 11.794 2.497 -3.447 1.00 0.54 H new ATOM 0 HD22 ASN A 46 11.435 4.171 -3.010 1.00 0.54 H new ATOM 698 N SER A 47 7.968 6.710 -6.547 1.00 0.14 N ATOM 699 CA SER A 47 7.309 7.984 -6.782 1.00 0.16 C ATOM 700 C SER A 47 5.927 7.988 -6.134 1.00 0.13 C ATOM 701 O SER A 47 5.406 9.032 -5.742 1.00 0.17 O ATOM 702 CB SER A 47 7.188 8.227 -8.282 1.00 0.21 C ATOM 703 OG SER A 47 8.419 7.962 -8.934 1.00 1.32 O ATOM 0 H SER A 47 8.080 6.133 -7.381 1.00 0.14 H new ATOM 0 HA SER A 47 7.903 8.783 -6.337 1.00 0.16 H new ATOM 0 HB2 SER A 47 6.407 7.590 -8.697 1.00 0.21 H new ATOM 0 HB3 SER A 47 6.889 9.259 -8.465 1.00 0.21 H new ATOM 0 HG SER A 47 8.321 8.122 -9.896 1.00 1.32 H new ATOM 709 N GLN A 48 5.351 6.799 -6.007 1.00 0.10 N ATOM 710 CA GLN A 48 4.040 6.630 -5.426 1.00 0.10 C ATOM 711 C GLN A 48 4.077 6.868 -3.931 1.00 0.09 C ATOM 712 O GLN A 48 3.069 7.221 -3.342 1.00 0.10 O ATOM 713 CB GLN A 48 3.564 5.226 -5.722 1.00 0.13 C ATOM 714 CG GLN A 48 3.608 4.882 -7.201 1.00 0.15 C ATOM 715 CD GLN A 48 2.632 5.696 -8.033 1.00 0.27 C ATOM 716 OE1 GLN A 48 1.513 6.087 -7.439 1.00 0.82 O flip ATOM 717 NE2 GLN A 48 2.880 5.966 -9.206 1.00 0.49 N flip ATOM 0 H GLN A 48 5.787 5.927 -6.307 1.00 0.10 H new ATOM 0 HA GLN A 48 3.353 7.358 -5.859 1.00 0.10 H new ATOM 0 HB2 GLN A 48 4.181 4.516 -5.171 1.00 0.13 H new ATOM 0 HB3 GLN A 48 2.543 5.111 -5.358 1.00 0.13 H new ATOM 0 HG2 GLN A 48 4.619 5.045 -7.576 1.00 0.15 H new ATOM 0 HG3 GLN A 48 3.388 3.822 -7.328 1.00 0.15 H new ATOM 0 HE21 GLN A 48 3.752 5.648 -9.629 1.00 0.49 H new ATOM 0 HE22 GLN A 48 2.214 6.508 -9.756 1.00 0.49 H new ATOM 726 N PHE A 49 5.247 6.697 -3.327 1.00 0.09 N ATOM 727 CA PHE A 49 5.403 6.854 -1.885 1.00 0.09 C ATOM 728 C PHE A 49 4.928 8.234 -1.426 1.00 0.11 C ATOM 729 O PHE A 49 4.530 8.414 -0.278 1.00 0.13 O ATOM 730 CB PHE A 49 6.858 6.667 -1.459 1.00 0.09 C ATOM 731 CG PHE A 49 7.444 5.300 -1.685 1.00 0.08 C ATOM 732 CD1 PHE A 49 8.646 4.983 -1.093 1.00 0.10 C ATOM 733 CD2 PHE A 49 6.811 4.340 -2.457 1.00 0.09 C ATOM 734 CE1 PHE A 49 9.213 3.744 -1.250 1.00 0.13 C ATOM 735 CE2 PHE A 49 7.382 3.086 -2.628 1.00 0.11 C ATOM 736 CZ PHE A 49 8.584 2.790 -2.018 1.00 0.07 C ATOM 0 H PHE A 49 6.107 6.448 -3.816 1.00 0.09 H new ATOM 0 HA PHE A 49 4.790 6.084 -1.416 1.00 0.09 H new ATOM 0 HB2 PHE A 49 7.468 7.394 -1.994 1.00 0.09 H new ATOM 0 HB3 PHE A 49 6.938 6.903 -0.398 1.00 0.09 H new ATOM 0 HD1 PHE A 49 9.152 5.725 -0.493 1.00 0.10 H new ATOM 0 HD2 PHE A 49 5.867 4.568 -2.929 1.00 0.09 H new ATOM 0 HE1 PHE A 49 10.154 3.517 -0.771 1.00 0.13 H new ATOM 0 HE2 PHE A 49 6.887 2.344 -3.237 1.00 0.11 H new ATOM 0 HZ PHE A 49 9.029 1.814 -2.143 1.00 0.07 H new ATOM 746 N ASP A 50 4.960 9.195 -2.342 1.00 0.11 N ATOM 747 CA ASP A 50 4.539 10.566 -2.059 1.00 0.15 C ATOM 748 C ASP A 50 3.028 10.619 -1.886 1.00 0.15 C ATOM 749 O ASP A 50 2.469 11.530 -1.272 1.00 0.20 O ATOM 750 CB ASP A 50 4.969 11.465 -3.217 1.00 0.19 C ATOM 751 CG ASP A 50 4.629 12.927 -3.001 1.00 0.29 C ATOM 752 OD1 ASP A 50 3.828 13.481 -3.781 1.00 0.41 O ATOM 753 OD2 ASP A 50 5.148 13.523 -2.034 1.00 0.36 O1- ATOM 0 H ASP A 50 5.277 9.048 -3.300 1.00 0.11 H new ATOM 0 HA ASP A 50 5.005 10.912 -1.137 1.00 0.15 H new ATOM 0 HB2 ASP A 50 6.045 11.367 -3.363 1.00 0.19 H new ATOM 0 HB3 ASP A 50 4.490 11.119 -4.133 1.00 0.19 H new ATOM 758 N LYS A 51 2.387 9.611 -2.435 1.00 0.11 N ATOM 759 CA LYS A 51 0.944 9.464 -2.395 1.00 0.11 C ATOM 760 C LYS A 51 0.539 8.487 -1.320 1.00 0.10 C ATOM 761 O LYS A 51 -0.604 8.086 -1.263 1.00 0.11 O ATOM 762 CB LYS A 51 0.453 8.913 -3.708 1.00 0.13 C ATOM 763 CG LYS A 51 1.347 9.239 -4.865 1.00 0.14 C ATOM 764 CD LYS A 51 0.622 10.080 -5.861 1.00 0.49 C ATOM 765 CE LYS A 51 1.523 10.516 -6.993 1.00 0.45 C ATOM 766 NZ LYS A 51 0.812 11.382 -7.970 1.00 1.47 N1+ ATOM 0 H LYS A 51 2.860 8.856 -2.931 1.00 0.11 H new ATOM 0 HA LYS A 51 0.514 10.445 -2.194 1.00 0.11 H new ATOM 0 HB2 LYS A 51 0.359 7.830 -3.626 1.00 0.13 H new ATOM 0 HB3 LYS A 51 -0.544 9.306 -3.908 1.00 0.13 H new ATOM 0 HG2 LYS A 51 2.233 9.766 -4.511 1.00 0.14 H new ATOM 0 HG3 LYS A 51 1.691 8.319 -5.338 1.00 0.14 H new ATOM 0 HD2 LYS A 51 -0.222 9.519 -6.264 1.00 0.49 H new ATOM 0 HD3 LYS A 51 0.212 10.959 -5.364 1.00 0.49 H new ATOM 0 HE2 LYS A 51 2.379 11.055 -6.588 1.00 0.45 H new ATOM 0 HE3 LYS A 51 1.913 9.636 -7.505 1.00 0.45 H new ATOM 0 HZ1 LYS A 51 1.466 11.658 -8.730 1.00 1.47 H new ATOM 0 HZ2 LYS A 51 0.010 10.860 -8.377 1.00 1.47 H new ATOM 0 HZ3 LYS A 51 0.462 12.234 -7.488 1.00 1.47 H new ATOM 780 N LEU A 52 1.475 8.044 -0.516 1.00 0.09 N ATOM 781 CA LEU A 52 1.148 7.104 0.542 1.00 0.08 C ATOM 782 C LEU A 52 0.230 7.747 1.578 1.00 0.09 C ATOM 783 O LEU A 52 -0.717 7.122 2.046 1.00 0.09 O ATOM 784 CB LEU A 52 2.407 6.566 1.198 1.00 0.08 C ATOM 785 CG LEU A 52 2.292 5.165 1.767 1.00 0.08 C ATOM 786 CD1 LEU A 52 2.456 5.220 3.256 1.00 0.07 C ATOM 787 CD2 LEU A 52 0.980 4.490 1.387 1.00 0.08 C ATOM 0 H LEU A 52 2.458 8.311 -0.568 1.00 0.09 H new ATOM 0 HA LEU A 52 0.616 6.265 0.093 1.00 0.08 H new ATOM 0 HB2 LEU A 52 3.213 6.578 0.464 1.00 0.08 H new ATOM 0 HB3 LEU A 52 2.697 7.244 2.001 1.00 0.08 H new ATOM 0 HG LEU A 52 3.086 4.557 1.334 1.00 0.08 H new ATOM 0 HD11 LEU A 52 2.374 4.214 3.668 1.00 0.07 H new ATOM 0 HD12 LEU A 52 3.435 5.633 3.499 1.00 0.07 H new ATOM 0 HD13 LEU A 52 1.679 5.853 3.685 1.00 0.07 H new ATOM 0 HD21 LEU A 52 0.947 3.490 1.819 1.00 0.08 H new ATOM 0 HD22 LEU A 52 0.145 5.078 1.768 1.00 0.08 H new ATOM 0 HD23 LEU A 52 0.908 4.419 0.302 1.00 0.08 H new ATOM 799 N SER A 53 0.493 8.998 1.915 1.00 0.10 N ATOM 800 CA SER A 53 -0.405 9.745 2.780 1.00 0.11 C ATOM 801 C SER A 53 -1.706 10.030 2.037 1.00 0.11 C ATOM 802 O SER A 53 -2.735 10.332 2.642 1.00 0.13 O ATOM 803 CB SER A 53 0.260 11.042 3.236 1.00 0.14 C ATOM 804 OG SER A 53 1.463 10.766 3.934 1.00 1.25 O ATOM 0 H SER A 53 1.316 9.516 1.605 1.00 0.10 H new ATOM 0 HA SER A 53 -0.632 9.154 3.667 1.00 0.11 H new ATOM 0 HB2 SER A 53 0.471 11.673 2.372 1.00 0.14 H new ATOM 0 HB3 SER A 53 -0.421 11.600 3.879 1.00 0.14 H new ATOM 0 HG SER A 53 1.877 11.608 4.218 1.00 1.25 H new ATOM 810 N GLN A 54 -1.644 9.897 0.718 1.00 0.10 N ATOM 811 CA GLN A 54 -2.792 10.033 -0.137 1.00 0.11 C ATOM 812 C GLN A 54 -3.561 8.717 -0.185 1.00 0.09 C ATOM 813 O GLN A 54 -4.775 8.694 -0.220 1.00 0.10 O ATOM 814 CB GLN A 54 -2.340 10.418 -1.524 1.00 0.12 C ATOM 815 CG GLN A 54 -3.478 10.637 -2.483 1.00 0.17 C ATOM 816 CD GLN A 54 -3.469 12.015 -3.094 1.00 0.69 C ATOM 817 OE1 GLN A 54 -4.010 12.968 -2.533 1.00 1.24 O ATOM 818 NE2 GLN A 54 -2.891 12.115 -4.270 1.00 0.70 N ATOM 0 H GLN A 54 -0.780 9.689 0.217 1.00 0.10 H new ATOM 0 HA GLN A 54 -3.448 10.809 0.257 1.00 0.11 H new ATOM 0 HB2 GLN A 54 -1.744 11.329 -1.464 1.00 0.12 H new ATOM 0 HB3 GLN A 54 -1.689 9.637 -1.916 1.00 0.12 H new ATOM 0 HG2 GLN A 54 -3.427 9.892 -3.277 1.00 0.17 H new ATOM 0 HG3 GLN A 54 -4.422 10.482 -1.961 1.00 0.17 H new ATOM 0 HE21 GLN A 54 -2.455 11.297 -4.695 1.00 0.70 H new ATOM 0 HE22 GLN A 54 -2.878 13.011 -4.757 1.00 0.70 H new ATOM 827 N LEU A 55 -2.820 7.624 -0.182 1.00 0.08 N ATOM 828 CA LEU A 55 -3.362 6.292 -0.105 1.00 0.07 C ATOM 829 C LEU A 55 -4.009 6.127 1.248 1.00 0.07 C ATOM 830 O LEU A 55 -4.981 5.398 1.417 1.00 0.08 O ATOM 831 CB LEU A 55 -2.218 5.305 -0.297 1.00 0.06 C ATOM 832 CG LEU A 55 -2.524 4.085 -1.150 1.00 0.06 C ATOM 833 CD1 LEU A 55 -2.992 2.935 -0.283 1.00 0.06 C ATOM 834 CD2 LEU A 55 -3.566 4.419 -2.205 1.00 0.10 C ATOM 0 H LEU A 55 -1.802 7.645 -0.234 1.00 0.08 H new ATOM 0 HA LEU A 55 -4.112 6.112 -0.875 1.00 0.07 H new ATOM 0 HB2 LEU A 55 -1.379 5.836 -0.746 1.00 0.06 H new ATOM 0 HB3 LEU A 55 -1.891 4.964 0.685 1.00 0.06 H new ATOM 0 HG LEU A 55 -1.608 3.781 -1.658 1.00 0.06 H new ATOM 0 HD11 LEU A 55 -3.207 2.070 -0.911 1.00 0.06 H new ATOM 0 HD12 LEU A 55 -2.212 2.679 0.434 1.00 0.06 H new ATOM 0 HD13 LEU A 55 -3.895 3.227 0.253 1.00 0.06 H new ATOM 0 HD21 LEU A 55 -3.772 3.533 -2.806 1.00 0.10 H new ATOM 0 HD22 LEU A 55 -4.484 4.749 -1.718 1.00 0.10 H new ATOM 0 HD23 LEU A 55 -3.190 5.215 -2.848 1.00 0.10 H new ATOM 846 N LYS A 56 -3.467 6.862 2.200 1.00 0.07 N ATOM 847 CA LYS A 56 -4.033 6.935 3.526 1.00 0.08 C ATOM 848 C LYS A 56 -5.257 7.812 3.479 1.00 0.09 C ATOM 849 O LYS A 56 -6.209 7.614 4.207 1.00 0.12 O ATOM 850 CB LYS A 56 -3.015 7.510 4.508 1.00 0.10 C ATOM 851 CG LYS A 56 -3.426 7.400 5.966 1.00 0.11 C ATOM 852 CD LYS A 56 -4.471 6.320 6.173 1.00 0.11 C ATOM 853 CE LYS A 56 -4.778 6.113 7.640 1.00 0.20 C ATOM 854 NZ LYS A 56 -5.395 7.326 8.251 1.00 0.82 N1+ ATOM 0 H LYS A 56 -2.624 7.423 2.073 1.00 0.07 H new ATOM 0 HA LYS A 56 -4.304 5.935 3.864 1.00 0.08 H new ATOM 0 HB2 LYS A 56 -2.064 6.996 4.370 1.00 0.10 H new ATOM 0 HB3 LYS A 56 -2.848 8.560 4.267 1.00 0.10 H new ATOM 0 HG2 LYS A 56 -2.550 7.180 6.576 1.00 0.11 H new ATOM 0 HG3 LYS A 56 -3.820 8.358 6.307 1.00 0.11 H new ATOM 0 HD2 LYS A 56 -5.385 6.592 5.645 1.00 0.11 H new ATOM 0 HD3 LYS A 56 -4.118 5.384 5.739 1.00 0.11 H new ATOM 0 HE2 LYS A 56 -5.453 5.265 7.754 1.00 0.20 H new ATOM 0 HE3 LYS A 56 -3.860 5.864 8.172 1.00 0.20 H new ATOM 0 HZ1 LYS A 56 -5.820 7.076 9.167 1.00 0.82 H new ATOM 0 HZ2 LYS A 56 -4.664 8.052 8.396 1.00 0.82 H new ATOM 0 HZ3 LYS A 56 -6.131 7.697 7.617 1.00 0.82 H new ATOM 868 N THR A 57 -5.209 8.766 2.588 1.00 0.09 N ATOM 869 CA THR A 57 -6.289 9.683 2.375 1.00 0.10 C ATOM 870 C THR A 57 -7.448 8.971 1.707 1.00 0.09 C ATOM 871 O THR A 57 -8.603 9.219 2.016 1.00 0.11 O ATOM 872 CB THR A 57 -5.800 10.858 1.520 1.00 0.11 C ATOM 873 OG1 THR A 57 -5.761 12.067 2.285 1.00 0.14 O ATOM 874 CG2 THR A 57 -6.636 11.043 0.279 1.00 0.12 C ATOM 0 H THR A 57 -4.405 8.928 1.982 1.00 0.09 H new ATOM 0 HA THR A 57 -6.636 10.070 3.333 1.00 0.10 H new ATOM 0 HB THR A 57 -4.787 10.617 1.198 1.00 0.11 H new ATOM 0 HG1 THR A 57 -5.445 12.802 1.719 1.00 0.14 H new ATOM 0 HG21 THR A 57 -6.253 11.886 -0.295 1.00 0.12 H new ATOM 0 HG22 THR A 57 -6.590 10.139 -0.329 1.00 0.12 H new ATOM 0 HG23 THR A 57 -7.670 11.237 0.563 1.00 0.12 H new ATOM 882 N LEU A 58 -7.113 8.092 0.784 1.00 0.09 N ATOM 883 CA LEU A 58 -8.075 7.290 0.087 1.00 0.09 C ATOM 884 C LEU A 58 -8.619 6.213 0.985 1.00 0.09 C ATOM 885 O LEU A 58 -9.802 5.931 0.972 1.00 0.12 O ATOM 886 CB LEU A 58 -7.384 6.727 -1.120 1.00 0.11 C ATOM 887 CG LEU A 58 -6.904 7.806 -2.063 1.00 0.11 C ATOM 888 CD1 LEU A 58 -5.718 7.315 -2.861 1.00 0.13 C ATOM 889 CD2 LEU A 58 -8.043 8.259 -2.958 1.00 0.16 C ATOM 0 H LEU A 58 -6.149 7.919 0.499 1.00 0.09 H new ATOM 0 HA LEU A 58 -8.935 7.884 -0.224 1.00 0.09 H new ATOM 0 HB2 LEU A 58 -6.535 6.123 -0.801 1.00 0.11 H new ATOM 0 HB3 LEU A 58 -8.067 6.062 -1.650 1.00 0.11 H new ATOM 0 HG LEU A 58 -6.573 8.670 -1.487 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -5.383 8.102 -3.536 1.00 0.13 H new ATOM 0 HD12 LEU A 58 -4.908 7.049 -2.182 1.00 0.13 H new ATOM 0 HD13 LEU A 58 -6.007 6.439 -3.441 1.00 0.13 H new ATOM 0 HD21 LEU A 58 -7.687 9.037 -3.634 1.00 0.16 H new ATOM 0 HD22 LEU A 58 -8.408 7.412 -3.539 1.00 0.16 H new ATOM 0 HD23 LEU A 58 -8.853 8.654 -2.345 1.00 0.16 H new ATOM 901 N LEU A 59 -7.752 5.627 1.775 1.00 0.07 N ATOM 902 CA LEU A 59 -8.179 4.746 2.845 1.00 0.07 C ATOM 903 C LEU A 59 -9.023 5.540 3.827 1.00 0.09 C ATOM 904 O LEU A 59 -9.993 5.050 4.372 1.00 0.11 O ATOM 905 CB LEU A 59 -6.957 4.174 3.547 1.00 0.07 C ATOM 906 CG LEU A 59 -7.179 2.868 4.298 1.00 0.08 C ATOM 907 CD1 LEU A 59 -7.179 3.104 5.771 1.00 0.09 C ATOM 908 CD2 LEU A 59 -8.488 2.242 3.920 1.00 0.08 C ATOM 0 H LEU A 59 -6.741 5.742 1.700 1.00 0.07 H new ATOM 0 HA LEU A 59 -8.770 3.924 2.441 1.00 0.07 H new ATOM 0 HB2 LEU A 59 -6.175 4.017 2.805 1.00 0.07 H new ATOM 0 HB3 LEU A 59 -6.584 4.918 4.251 1.00 0.07 H new ATOM 0 HG LEU A 59 -6.364 2.197 4.027 1.00 0.08 H new ATOM 0 HD11 LEU A 59 -7.339 2.159 6.291 1.00 0.09 H new ATOM 0 HD12 LEU A 59 -6.220 3.526 6.072 1.00 0.09 H new ATOM 0 HD13 LEU A 59 -7.978 3.799 6.028 1.00 0.09 H new ATOM 0 HD21 LEU A 59 -8.619 1.311 4.472 1.00 0.08 H new ATOM 0 HD22 LEU A 59 -9.302 2.925 4.163 1.00 0.08 H new ATOM 0 HD23 LEU A 59 -8.496 2.034 2.850 1.00 0.08 H new ATOM 920 N ASP A 60 -8.633 6.774 4.042 1.00 0.09 N ATOM 921 CA ASP A 60 -9.413 7.718 4.826 1.00 0.11 C ATOM 922 C ASP A 60 -10.733 8.003 4.143 1.00 0.12 C ATOM 923 O ASP A 60 -11.680 8.486 4.757 1.00 0.16 O ATOM 924 CB ASP A 60 -8.643 9.021 5.002 1.00 0.17 C ATOM 925 CG ASP A 60 -8.291 9.289 6.451 1.00 0.42 C ATOM 926 OD1 ASP A 60 -7.246 8.789 6.919 1.00 0.66 O ATOM 927 OD2 ASP A 60 -9.054 10.012 7.127 1.00 0.66 O1- ATOM 0 H ASP A 60 -7.761 7.159 3.678 1.00 0.09 H new ATOM 0 HA ASP A 60 -9.603 7.277 5.805 1.00 0.11 H new ATOM 0 HB2 ASP A 60 -7.729 8.983 4.409 1.00 0.17 H new ATOM 0 HB3 ASP A 60 -9.239 9.848 4.616 1.00 0.17 H new ATOM 932 N LYS A 61 -10.773 7.724 2.859 1.00 0.12 N ATOM 933 CA LYS A 61 -11.995 7.813 2.108 1.00 0.14 C ATOM 934 C LYS A 61 -12.802 6.552 2.291 1.00 0.12 C ATOM 935 O LYS A 61 -14.007 6.522 2.092 1.00 0.17 O ATOM 936 CB LYS A 61 -11.696 8.062 0.642 1.00 0.19 C ATOM 937 CG LYS A 61 -10.992 9.371 0.439 1.00 0.25 C ATOM 938 CD LYS A 61 -11.150 9.890 -0.983 1.00 0.39 C ATOM 939 CE LYS A 61 -10.444 11.222 -1.171 1.00 1.20 C ATOM 940 NZ LYS A 61 -10.668 11.785 -2.528 1.00 1.92 N1+ ATOM 0 H LYS A 61 -9.962 7.431 2.313 1.00 0.12 H new ATOM 0 HA LYS A 61 -12.582 8.654 2.478 1.00 0.14 H new ATOM 0 HB2 LYS A 61 -11.079 7.252 0.253 1.00 0.19 H new ATOM 0 HB3 LYS A 61 -12.626 8.056 0.074 1.00 0.19 H new ATOM 0 HG2 LYS A 61 -11.387 10.107 1.139 1.00 0.25 H new ATOM 0 HG3 LYS A 61 -9.933 9.252 0.666 1.00 0.25 H new ATOM 0 HD2 LYS A 61 -10.746 9.160 -1.685 1.00 0.39 H new ATOM 0 HD3 LYS A 61 -12.209 10.002 -1.215 1.00 0.39 H new ATOM 0 HE2 LYS A 61 -10.800 11.929 -0.422 1.00 1.20 H new ATOM 0 HE3 LYS A 61 -9.375 11.092 -1.005 1.00 1.20 H new ATOM 0 HZ1 LYS A 61 -10.169 12.693 -2.614 1.00 1.92 H new ATOM 0 HZ2 LYS A 61 -10.306 11.122 -3.243 1.00 1.92 H new ATOM 0 HZ3 LYS A 61 -11.686 11.934 -2.678 1.00 1.92 H new ATOM 954 N LEU A 62 -12.115 5.527 2.723 1.00 0.10 N ATOM 955 CA LEU A 62 -12.739 4.251 3.013 1.00 0.11 C ATOM 956 C LEU A 62 -13.211 4.286 4.432 1.00 0.12 C ATOM 957 O LEU A 62 -14.070 3.520 4.847 1.00 0.14 O ATOM 958 CB LEU A 62 -11.771 3.079 2.827 1.00 0.11 C ATOM 959 CG LEU A 62 -11.586 2.598 1.393 1.00 0.11 C ATOM 960 CD1 LEU A 62 -12.789 2.972 0.587 1.00 0.13 C ATOM 961 CD2 LEU A 62 -10.345 3.162 0.756 1.00 0.11 C ATOM 0 H LEU A 62 -11.108 5.547 2.885 1.00 0.10 H new ATOM 0 HA LEU A 62 -13.566 4.098 2.319 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -10.797 3.369 3.222 1.00 0.11 H new ATOM 0 HB3 LEU A 62 -12.123 2.242 3.429 1.00 0.11 H new ATOM 0 HG LEU A 62 -11.470 1.515 1.417 1.00 0.11 H new ATOM 0 HD11 LEU A 62 -12.660 2.629 -0.440 1.00 0.13 H new ATOM 0 HD12 LEU A 62 -13.675 2.504 1.017 1.00 0.13 H new ATOM 0 HD13 LEU A 62 -12.910 4.055 0.595 1.00 0.13 H new ATOM 0 HD21 LEU A 62 -10.258 2.789 -0.265 1.00 0.11 H new ATOM 0 HD22 LEU A 62 -10.406 4.250 0.741 1.00 0.11 H new ATOM 0 HD23 LEU A 62 -9.470 2.856 1.330 1.00 0.11 H new ATOM 973 N GLU A 63 -12.568 5.158 5.172 1.00 0.11 N ATOM 974 CA GLU A 63 -12.907 5.430 6.542 1.00 0.14 C ATOM 975 C GLU A 63 -14.393 5.605 6.758 1.00 0.16 C ATOM 976 O GLU A 63 -15.047 6.399 6.079 1.00 0.20 O ATOM 977 CB GLU A 63 -12.171 6.643 7.006 1.00 0.16 C ATOM 978 CG GLU A 63 -10.911 6.262 7.724 1.00 0.17 C ATOM 979 CD GLU A 63 -11.173 5.776 9.136 1.00 0.85 C ATOM 980 OE1 GLU A 63 -10.645 6.384 10.090 1.00 1.29 O ATOM 981 OE2 GLU A 63 -11.917 4.790 9.300 1.00 1.75 O1- ATOM 0 H GLU A 63 -11.780 5.707 4.829 1.00 0.11 H new ATOM 0 HA GLU A 63 -12.608 4.561 7.129 1.00 0.14 H new ATOM 0 HB2 GLU A 63 -11.930 7.276 6.152 1.00 0.16 H new ATOM 0 HB3 GLU A 63 -12.809 7.229 7.668 1.00 0.16 H new ATOM 0 HG2 GLU A 63 -10.399 5.480 7.163 1.00 0.17 H new ATOM 0 HG3 GLU A 63 -10.241 7.121 7.757 1.00 0.17 H new ATOM 988 N GLY A 64 -14.915 4.854 7.704 1.00 0.18 N ATOM 989 CA GLY A 64 -16.324 4.888 7.969 1.00 0.20 C ATOM 990 C GLY A 64 -17.053 3.820 7.191 1.00 0.20 C ATOM 991 O GLY A 64 -18.208 3.507 7.476 1.00 0.26 O ATOM 0 H GLY A 64 -14.382 4.217 8.296 1.00 0.18 H new ATOM 0 HA2 GLY A 64 -16.499 4.748 9.036 1.00 0.20 H new ATOM 0 HA3 GLY A 64 -16.722 5.868 7.707 1.00 0.20 H new ATOM 995 N SER A 65 -16.373 3.259 6.203 1.00 0.16 N ATOM 996 CA SER A 65 -16.941 2.211 5.376 1.00 0.16 C ATOM 997 C SER A 65 -16.243 0.887 5.680 1.00 0.18 C ATOM 998 O SER A 65 -15.145 0.871 6.223 1.00 0.25 O ATOM 999 CB SER A 65 -16.790 2.592 3.900 1.00 0.19 C ATOM 1000 OG SER A 65 -17.206 3.932 3.682 1.00 0.27 O ATOM 0 H SER A 65 -15.418 3.517 5.955 1.00 0.16 H new ATOM 0 HA SER A 65 -18.003 2.094 5.594 1.00 0.16 H new ATOM 0 HB2 SER A 65 -15.751 2.474 3.593 1.00 0.19 H new ATOM 0 HB3 SER A 65 -17.383 1.917 3.283 1.00 0.19 H new ATOM 0 HG SER A 65 -18.071 4.081 4.118 1.00 0.27 H new ATOM 1006 N ARG A 66 -16.890 -0.216 5.345 1.00 0.21 N ATOM 1007 CA ARG A 66 -16.343 -1.550 5.587 1.00 0.22 C ATOM 1008 C ARG A 66 -15.107 -1.816 4.747 1.00 0.21 C ATOM 1009 O ARG A 66 -14.229 -2.584 5.138 1.00 0.24 O ATOM 1010 CB ARG A 66 -17.396 -2.602 5.289 1.00 0.26 C ATOM 1011 CG ARG A 66 -18.079 -2.368 3.966 1.00 0.47 C ATOM 1012 CD ARG A 66 -18.883 -3.570 3.524 1.00 0.47 C ATOM 1013 NE ARG A 66 -19.948 -3.910 4.464 1.00 1.46 N ATOM 1014 CZ ARG A 66 -20.846 -4.868 4.251 1.00 1.87 C ATOM 1015 NH1 ARG A 66 -20.830 -5.555 3.117 1.00 1.50 N1+ ATOM 1016 NH2 ARG A 66 -21.766 -5.132 5.171 1.00 3.05 N ATOM 0 H ARG A 66 -17.807 -0.218 4.899 1.00 0.21 H new ATOM 0 HA ARG A 66 -16.052 -1.601 6.636 1.00 0.22 H new ATOM 0 HB2 ARG A 66 -16.931 -3.588 5.286 1.00 0.26 H new ATOM 0 HB3 ARG A 66 -18.141 -2.603 6.085 1.00 0.26 H new ATOM 0 HG2 ARG A 66 -18.736 -1.502 4.045 1.00 0.47 H new ATOM 0 HG3 ARG A 66 -17.331 -2.133 3.208 1.00 0.47 H new ATOM 0 HD2 ARG A 66 -19.318 -3.371 2.544 1.00 0.47 H new ATOM 0 HD3 ARG A 66 -18.217 -4.426 3.410 1.00 0.47 H new ATOM 0 HE ARG A 66 -20.007 -3.382 5.335 1.00 1.46 H new ATOM 0 HH11 ARG A 66 -20.128 -5.349 2.406 1.00 1.50 H new ATOM 0 HH12 ARG A 66 -21.519 -6.289 2.956 1.00 1.50 H new ATOM 0 HH21 ARG A 66 -21.784 -4.600 6.041 1.00 3.05 H new ATOM 0 HH22 ARG A 66 -22.455 -5.867 5.008 1.00 3.05 H new ATOM 1030 N GLU A 67 -15.048 -1.169 3.597 1.00 0.19 N ATOM 1031 CA GLU A 67 -13.935 -1.279 2.695 1.00 0.18 C ATOM 1032 C GLU A 67 -12.668 -0.851 3.357 1.00 0.15 C ATOM 1033 O GLU A 67 -11.614 -1.414 3.129 1.00 0.14 O ATOM 1034 CB GLU A 67 -14.230 -0.413 1.517 1.00 0.19 C ATOM 1035 CG GLU A 67 -14.809 -1.187 0.389 1.00 0.33 C ATOM 1036 CD GLU A 67 -16.188 -1.724 0.700 1.00 1.54 C ATOM 1037 OE1 GLU A 67 -16.501 -2.853 0.268 1.00 1.70 O ATOM 1038 OE2 GLU A 67 -16.951 -1.027 1.395 1.00 2.51 O1- ATOM 0 H GLU A 67 -15.785 -0.546 3.267 1.00 0.19 H new ATOM 0 HA GLU A 67 -13.800 -2.315 2.386 1.00 0.18 H new ATOM 0 HB2 GLU A 67 -14.924 0.374 1.811 1.00 0.19 H new ATOM 0 HB3 GLU A 67 -13.313 0.077 1.188 1.00 0.19 H new ATOM 0 HG2 GLU A 67 -14.862 -0.551 -0.494 1.00 0.33 H new ATOM 0 HG3 GLU A 67 -14.146 -2.017 0.145 1.00 0.33 H new ATOM 1045 N HIS A 68 -12.815 0.155 4.173 1.00 0.14 N ATOM 1046 CA HIS A 68 -11.746 0.672 5.006 1.00 0.13 C ATOM 1047 C HIS A 68 -10.913 -0.411 5.610 1.00 0.14 C ATOM 1048 O HIS A 68 -9.725 -0.304 5.648 1.00 0.13 O ATOM 1049 CB HIS A 68 -12.309 1.454 6.149 1.00 0.15 C ATOM 1050 CG HIS A 68 -11.258 2.221 6.837 1.00 0.15 C ATOM 1051 ND1 HIS A 68 -10.563 3.255 6.391 1.00 0.17 N flip ATOM 1052 CD2 HIS A 68 -10.757 1.926 8.077 1.00 0.14 C flip ATOM 1053 CE1 HIS A 68 -9.650 3.581 7.337 1.00 0.17 C flip ATOM 1054 NE2 HIS A 68 -9.784 2.769 8.343 1.00 0.15 N flip ATOM 0 H HIS A 68 -13.697 0.655 4.286 1.00 0.14 H new ATOM 0 HA HIS A 68 -11.132 1.289 4.349 1.00 0.13 H new ATOM 0 HB2 HIS A 68 -13.079 2.134 5.784 1.00 0.15 H new ATOM 0 HB3 HIS A 68 -12.790 0.777 6.855 1.00 0.15 H new ATOM 0 HD1 HIS A 68 -10.692 3.723 5.494 1.00 0.17 H new ATOM 0 HD2 HIS A 68 -11.103 1.135 8.726 1.00 0.14 H new ATOM 0 HE1 HIS A 68 -8.930 4.383 7.267 1.00 0.17 H new ATOM 1063 N THR A 69 -11.561 -1.401 6.130 1.00 0.15 N ATOM 1064 CA THR A 69 -10.890 -2.524 6.753 1.00 0.16 C ATOM 1065 C THR A 69 -9.922 -3.176 5.798 1.00 0.15 C ATOM 1066 O THR A 69 -8.731 -3.328 6.051 1.00 0.15 O ATOM 1067 CB THR A 69 -11.924 -3.564 7.093 1.00 0.19 C ATOM 1068 OG1 THR A 69 -12.833 -3.078 8.093 1.00 0.22 O ATOM 1069 CG2 THR A 69 -11.265 -4.850 7.528 1.00 0.21 C ATOM 0 H THR A 69 -12.579 -1.466 6.141 1.00 0.15 H new ATOM 0 HA THR A 69 -10.357 -2.159 7.631 1.00 0.16 H new ATOM 0 HB THR A 69 -12.505 -3.774 6.195 1.00 0.19 H new ATOM 0 HG1 THR A 69 -13.496 -3.770 8.296 1.00 0.22 H new ATOM 0 HG21 THR A 69 -12.030 -5.588 7.769 1.00 0.21 H new ATOM 0 HG22 THR A 69 -10.638 -5.228 6.721 1.00 0.21 H new ATOM 0 HG23 THR A 69 -10.650 -4.664 8.409 1.00 0.21 H new ATOM 1077 N LEU A 70 -10.496 -3.511 4.685 1.00 0.15 N ATOM 1078 CA LEU A 70 -9.871 -4.236 3.631 1.00 0.16 C ATOM 1079 C LEU A 70 -8.787 -3.390 3.097 1.00 0.13 C ATOM 1080 O LEU A 70 -7.656 -3.806 2.920 1.00 0.12 O ATOM 1081 CB LEU A 70 -10.977 -4.524 2.599 1.00 0.18 C ATOM 1082 CG LEU A 70 -10.586 -4.766 1.136 1.00 0.20 C ATOM 1083 CD1 LEU A 70 -10.446 -3.453 0.374 1.00 0.19 C ATOM 1084 CD2 LEU A 70 -9.325 -5.604 1.057 1.00 0.21 C ATOM 0 H LEU A 70 -11.466 -3.271 4.480 1.00 0.15 H new ATOM 0 HA LEU A 70 -9.425 -5.182 3.939 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -11.526 -5.401 2.942 1.00 0.18 H new ATOM 0 HB3 LEU A 70 -11.672 -3.685 2.619 1.00 0.18 H new ATOM 0 HG LEU A 70 -11.388 -5.325 0.654 1.00 0.20 H new ATOM 0 HD11 LEU A 70 -10.168 -3.660 -0.659 1.00 0.19 H new ATOM 0 HD12 LEU A 70 -11.395 -2.918 0.394 1.00 0.19 H new ATOM 0 HD13 LEU A 70 -9.674 -2.841 0.842 1.00 0.19 H new ATOM 0 HD21 LEU A 70 -9.061 -5.767 0.012 1.00 0.21 H new ATOM 0 HD22 LEU A 70 -8.510 -5.084 1.560 1.00 0.21 H new ATOM 0 HD23 LEU A 70 -9.496 -6.565 1.542 1.00 0.21 H new ATOM 1096 N ALA A 71 -9.157 -2.179 2.952 1.00 0.11 N ATOM 1097 CA ALA A 71 -8.362 -1.212 2.314 1.00 0.09 C ATOM 1098 C ALA A 71 -7.341 -0.643 3.262 1.00 0.07 C ATOM 1099 O ALA A 71 -6.357 -0.094 2.839 1.00 0.06 O ATOM 1100 CB ALA A 71 -9.278 -0.161 1.779 1.00 0.10 C ATOM 0 H ALA A 71 -10.052 -1.822 3.286 1.00 0.11 H new ATOM 0 HA ALA A 71 -7.797 -1.656 1.495 1.00 0.09 H new ATOM 0 HB1 ALA A 71 -8.694 0.609 1.275 1.00 0.10 H new ATOM 0 HB2 ALA A 71 -9.973 -0.611 1.070 1.00 0.10 H new ATOM 0 HB3 ALA A 71 -9.837 0.287 2.601 1.00 0.10 H new ATOM 1106 N LYS A 72 -7.584 -0.769 4.544 1.00 0.08 N ATOM 1107 CA LYS A 72 -6.618 -0.440 5.532 1.00 0.09 C ATOM 1108 C LYS A 72 -5.643 -1.547 5.536 1.00 0.10 C ATOM 1109 O LYS A 72 -4.455 -1.361 5.691 1.00 0.10 O ATOM 1110 CB LYS A 72 -7.264 -0.345 6.879 1.00 0.11 C ATOM 1111 CG LYS A 72 -6.287 0.043 7.936 1.00 0.14 C ATOM 1112 CD LYS A 72 -6.942 0.921 8.959 1.00 0.17 C ATOM 1113 CE LYS A 72 -6.201 0.894 10.290 1.00 0.22 C ATOM 1114 NZ LYS A 72 -4.814 1.425 10.179 1.00 1.35 N1+ ATOM 0 H LYS A 72 -8.469 -1.107 4.922 1.00 0.08 H new ATOM 0 HA LYS A 72 -6.147 0.519 5.316 1.00 0.09 H new ATOM 0 HB2 LYS A 72 -8.071 0.387 6.844 1.00 0.11 H new ATOM 0 HB3 LYS A 72 -7.714 -1.304 7.135 1.00 0.11 H new ATOM 0 HG2 LYS A 72 -5.888 -0.850 8.417 1.00 0.14 H new ATOM 0 HG3 LYS A 72 -5.443 0.566 7.486 1.00 0.14 H new ATOM 0 HD2 LYS A 72 -6.982 1.945 8.587 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -7.972 0.596 9.110 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -6.754 1.481 11.023 1.00 0.22 H new ATOM 0 HE3 LYS A 72 -6.166 -0.130 10.663 1.00 0.22 H new ATOM 0 HZ1 LYS A 72 -4.335 1.339 11.098 1.00 1.35 H new ATOM 0 HZ2 LYS A 72 -4.291 0.882 9.463 1.00 1.35 H new ATOM 0 HZ3 LYS A 72 -4.847 2.426 9.898 1.00 1.35 H new ATOM 1128 N SER A 73 -6.179 -2.716 5.316 1.00 0.10 N ATOM 1129 CA SER A 73 -5.351 -3.877 5.256 1.00 0.12 C ATOM 1130 C SER A 73 -4.594 -3.903 3.932 1.00 0.11 C ATOM 1131 O SER A 73 -3.628 -4.643 3.776 1.00 0.13 O ATOM 1132 CB SER A 73 -6.164 -5.159 5.460 1.00 0.16 C ATOM 1133 OG SER A 73 -5.320 -6.301 5.489 1.00 1.18 O ATOM 0 H SER A 73 -7.175 -2.884 5.177 1.00 0.10 H new ATOM 0 HA SER A 73 -4.628 -3.829 6.071 1.00 0.12 H new ATOM 0 HB2 SER A 73 -6.724 -5.093 6.393 1.00 0.16 H new ATOM 0 HB3 SER A 73 -6.893 -5.262 4.657 1.00 0.16 H new ATOM 0 HG SER A 73 -4.504 -6.118 4.978 1.00 1.18 H new ATOM 1139 N LYS A 74 -5.059 -3.105 2.974 1.00 0.09 N ATOM 1140 CA LYS A 74 -4.333 -2.864 1.757 1.00 0.08 C ATOM 1141 C LYS A 74 -3.365 -1.745 1.959 1.00 0.06 C ATOM 1142 O LYS A 74 -2.173 -1.865 1.719 1.00 0.05 O ATOM 1143 CB LYS A 74 -5.301 -2.488 0.679 1.00 0.08 C ATOM 1144 CG LYS A 74 -6.307 -3.563 0.447 1.00 0.10 C ATOM 1145 CD LYS A 74 -7.347 -3.096 -0.497 1.00 0.12 C ATOM 1146 CE LYS A 74 -7.045 -3.636 -1.848 1.00 0.22 C ATOM 1147 NZ LYS A 74 -7.398 -5.075 -1.993 1.00 1.02 N1+ ATOM 0 H LYS A 74 -5.951 -2.613 3.032 1.00 0.09 H new ATOM 0 HA LYS A 74 -3.788 -3.765 1.474 1.00 0.08 H new ATOM 0 HB2 LYS A 74 -5.811 -1.564 0.953 1.00 0.08 H new ATOM 0 HB3 LYS A 74 -4.759 -2.291 -0.246 1.00 0.08 H new ATOM 0 HG2 LYS A 74 -5.816 -4.451 0.048 1.00 0.10 H new ATOM 0 HG3 LYS A 74 -6.767 -3.851 1.392 1.00 0.10 H new ATOM 0 HD2 LYS A 74 -8.332 -3.429 -0.169 1.00 0.12 H new ATOM 0 HD3 LYS A 74 -7.371 -2.007 -0.523 1.00 0.12 H new ATOM 0 HE2 LYS A 74 -7.589 -3.057 -2.594 1.00 0.22 H new ATOM 0 HE3 LYS A 74 -5.983 -3.506 -2.056 1.00 0.22 H new ATOM 0 HZ1 LYS A 74 -6.815 -5.502 -2.741 1.00 1.02 H new ATOM 0 HZ2 LYS A 74 -7.223 -5.568 -1.094 1.00 1.02 H new ATOM 0 HZ3 LYS A 74 -8.403 -5.162 -2.246 1.00 1.02 H new ATOM 1161 N TYR A 75 -3.923 -0.657 2.415 1.00 0.05 N ATOM 1162 CA TYR A 75 -3.198 0.545 2.678 1.00 0.04 C ATOM 1163 C TYR A 75 -2.020 0.280 3.583 1.00 0.05 C ATOM 1164 O TYR A 75 -0.891 0.551 3.224 1.00 0.05 O ATOM 1165 CB TYR A 75 -4.101 1.557 3.362 1.00 0.05 C ATOM 1166 CG TYR A 75 -3.285 2.592 4.088 1.00 0.05 C ATOM 1167 CD1 TYR A 75 -3.168 2.555 5.468 1.00 0.09 C ATOM 1168 CD2 TYR A 75 -2.697 3.640 3.402 1.00 0.07 C ATOM 1169 CE1 TYR A 75 -2.486 3.530 6.155 1.00 0.15 C ATOM 1170 CE2 TYR A 75 -2.000 4.622 4.079 1.00 0.13 C ATOM 1171 CZ TYR A 75 -1.666 4.428 5.391 1.00 0.08 C ATOM 1172 OH TYR A 75 -1.215 5.552 6.135 1.00 0.25 O ATOM 0 H TYR A 75 -4.920 -0.585 2.617 1.00 0.05 H new ATOM 0 HA TYR A 75 -2.843 0.932 1.723 1.00 0.04 H new ATOM 0 HB2 TYR A 75 -4.738 2.042 2.622 1.00 0.05 H new ATOM 0 HB3 TYR A 75 -4.760 1.047 4.065 1.00 0.05 H new ATOM 0 HD1 TYR A 75 -3.623 1.742 6.015 1.00 0.09 H new ATOM 0 HD2 TYR A 75 -2.784 3.691 2.327 1.00 0.07 H new ATOM 0 HE1 TYR A 75 -2.564 3.618 7.229 1.00 0.15 H new ATOM 0 HE2 TYR A 75 -1.721 5.536 3.576 1.00 0.13 H new ATOM 0 HH TYR A 75 -0.483 5.991 5.653 1.00 0.25 H new ATOM 1182 N ASP A 76 -2.306 -0.279 4.749 1.00 0.06 N ATOM 1183 CA ASP A 76 -1.338 -0.391 5.815 1.00 0.08 C ATOM 1184 C ASP A 76 -0.250 -1.323 5.356 1.00 0.09 C ATOM 1185 O ASP A 76 0.912 -1.212 5.721 1.00 0.13 O ATOM 1186 CB ASP A 76 -1.993 -0.959 7.070 1.00 0.13 C ATOM 1187 CG ASP A 76 -1.980 -0.007 8.252 1.00 0.39 C ATOM 1188 OD1 ASP A 76 -2.859 0.880 8.328 1.00 0.56 O ATOM 1189 OD2 ASP A 76 -1.109 -0.163 9.135 1.00 0.65 O1- ATOM 0 H ASP A 76 -3.221 -0.667 4.977 1.00 0.06 H new ATOM 0 HA ASP A 76 -0.933 0.593 6.052 1.00 0.08 H new ATOM 0 HB2 ASP A 76 -3.025 -1.225 6.841 1.00 0.13 H new ATOM 0 HB3 ASP A 76 -1.481 -1.879 7.351 1.00 0.13 H new ATOM 1194 N SER A 77 -0.685 -2.220 4.503 1.00 0.07 N ATOM 1195 CA SER A 77 0.137 -3.223 3.892 1.00 0.07 C ATOM 1196 C SER A 77 1.096 -2.548 2.944 1.00 0.06 C ATOM 1197 O SER A 77 2.318 -2.621 3.086 1.00 0.06 O ATOM 1198 CB SER A 77 -0.808 -4.151 3.129 1.00 0.08 C ATOM 1199 OG SER A 77 -0.134 -5.131 2.373 1.00 0.10 O ATOM 0 H SER A 77 -1.660 -2.268 4.208 1.00 0.07 H new ATOM 0 HA SER A 77 0.716 -3.786 4.624 1.00 0.07 H new ATOM 0 HB2 SER A 77 -1.474 -4.643 3.838 1.00 0.08 H new ATOM 0 HB3 SER A 77 -1.433 -3.555 2.464 1.00 0.08 H new ATOM 0 HG SER A 77 0.833 -4.982 2.433 1.00 0.10 H new ATOM 1205 N LEU A 78 0.498 -1.818 2.036 1.00 0.04 N ATOM 1206 CA LEU A 78 1.167 -1.145 0.966 1.00 0.04 C ATOM 1207 C LEU A 78 2.090 -0.085 1.543 1.00 0.04 C ATOM 1208 O LEU A 78 3.215 0.128 1.093 1.00 0.04 O ATOM 1209 CB LEU A 78 0.052 -0.544 0.128 1.00 0.03 C ATOM 1210 CG LEU A 78 0.443 0.127 -1.166 1.00 0.03 C ATOM 1211 CD1 LEU A 78 0.479 1.605 -0.926 1.00 0.03 C ATOM 1212 CD2 LEU A 78 1.784 -0.374 -1.651 1.00 0.04 C ATOM 0 H LEU A 78 -0.512 -1.674 2.028 1.00 0.04 H new ATOM 0 HA LEU A 78 1.792 -1.800 0.360 1.00 0.04 H new ATOM 0 HB2 LEU A 78 -0.660 -1.336 -0.105 1.00 0.03 H new ATOM 0 HB3 LEU A 78 -0.474 0.187 0.741 1.00 0.03 H new ATOM 0 HG LEU A 78 -0.284 -0.108 -1.943 1.00 0.03 H new ATOM 0 HD11 LEU A 78 0.760 2.116 -1.847 1.00 0.03 H new ATOM 0 HD12 LEU A 78 -0.506 1.946 -0.607 1.00 0.03 H new ATOM 0 HD13 LEU A 78 1.210 1.830 -0.149 1.00 0.03 H new ATOM 0 HD21 LEU A 78 2.043 0.125 -2.585 1.00 0.04 H new ATOM 0 HD22 LEU A 78 2.546 -0.159 -0.901 1.00 0.04 H new ATOM 0 HD23 LEU A 78 1.732 -1.450 -1.817 1.00 0.04 H new ATOM 1224 N ALA A 79 1.592 0.517 2.592 1.00 0.04 N ATOM 1225 CA ALA A 79 2.274 1.554 3.322 1.00 0.04 C ATOM 1226 C ALA A 79 3.484 1.000 3.998 1.00 0.05 C ATOM 1227 O ALA A 79 4.492 1.669 4.118 1.00 0.07 O ATOM 1228 CB ALA A 79 1.310 2.160 4.332 1.00 0.05 C ATOM 0 H ALA A 79 0.673 0.292 2.973 1.00 0.04 H new ATOM 0 HA ALA A 79 2.607 2.333 2.637 1.00 0.04 H new ATOM 0 HB1 ALA A 79 1.816 2.947 4.891 1.00 0.05 H new ATOM 0 HB2 ALA A 79 0.452 2.581 3.808 1.00 0.05 H new ATOM 0 HB3 ALA A 79 0.971 1.386 5.021 1.00 0.05 H new ATOM 1234 N THR A 80 3.390 -0.234 4.388 1.00 0.05 N ATOM 1235 CA THR A 80 4.483 -0.905 5.026 1.00 0.05 C ATOM 1236 C THR A 80 5.521 -1.322 4.007 1.00 0.05 C ATOM 1237 O THR A 80 6.708 -1.258 4.268 1.00 0.05 O ATOM 1238 CB THR A 80 3.975 -2.134 5.738 1.00 0.06 C ATOM 1239 OG1 THR A 80 3.116 -1.754 6.820 1.00 0.07 O ATOM 1240 CG2 THR A 80 5.129 -2.970 6.258 1.00 0.07 C ATOM 0 H THR A 80 2.553 -0.806 4.273 1.00 0.05 H new ATOM 0 HA THR A 80 4.939 -0.219 5.740 1.00 0.05 H new ATOM 0 HB THR A 80 3.409 -2.735 5.026 1.00 0.06 H new ATOM 0 HG1 THR A 80 2.186 -1.741 6.511 1.00 0.07 H new ATOM 0 HG21 THR A 80 4.739 -3.851 6.768 1.00 0.07 H new ATOM 0 HG22 THR A 80 5.757 -3.282 5.424 1.00 0.07 H new ATOM 0 HG23 THR A 80 5.721 -2.379 6.957 1.00 0.07 H new ATOM 1248 N GLN A 81 5.061 -1.736 2.840 1.00 0.05 N ATOM 1249 CA GLN A 81 5.903 -2.200 1.806 1.00 0.05 C ATOM 1250 C GLN A 81 6.715 -1.080 1.306 1.00 0.05 C ATOM 1251 O GLN A 81 7.905 -1.226 1.054 1.00 0.05 O ATOM 1252 CB GLN A 81 5.027 -2.776 0.729 1.00 0.05 C ATOM 1253 CG GLN A 81 4.373 -4.012 1.254 1.00 0.05 C ATOM 1254 CD GLN A 81 3.078 -4.361 0.620 1.00 0.07 C ATOM 1255 OE1 GLN A 81 2.234 -4.906 1.449 1.00 0.09 O flip ATOM 1256 NE2 GLN A 81 2.837 -4.130 -0.558 1.00 0.07 N flip ATOM 0 H GLN A 81 4.069 -1.751 2.602 1.00 0.05 H new ATOM 0 HA GLN A 81 6.587 -2.971 2.160 1.00 0.05 H new ATOM 0 HB2 GLN A 81 4.273 -2.049 0.426 1.00 0.05 H new ATOM 0 HB3 GLN A 81 5.619 -3.009 -0.156 1.00 0.05 H new ATOM 0 HG2 GLN A 81 5.059 -4.849 1.125 1.00 0.05 H new ATOM 0 HG3 GLN A 81 4.214 -3.892 2.326 1.00 0.05 H new ATOM 0 HE21 GLN A 81 3.548 -3.700 -1.149 1.00 0.07 H new ATOM 0 HE22 GLN A 81 1.925 -4.368 -0.948 1.00 0.07 H new ATOM 1265 N ILE A 82 6.085 0.059 1.200 1.00 0.04 N ATOM 1266 CA ILE A 82 6.831 1.200 0.833 1.00 0.04 C ATOM 1267 C ILE A 82 7.664 1.660 2.025 1.00 0.05 C ATOM 1268 O ILE A 82 8.841 1.872 1.869 1.00 0.05 O ATOM 1269 CB ILE A 82 5.991 2.378 0.272 1.00 0.05 C ATOM 1270 CG1 ILE A 82 5.257 3.129 1.345 1.00 0.05 C ATOM 1271 CG2 ILE A 82 4.996 1.953 -0.777 1.00 0.05 C ATOM 1272 CD1 ILE A 82 6.002 4.357 1.765 1.00 0.06 C ATOM 0 H ILE A 82 5.088 0.207 1.360 1.00 0.04 H new ATOM 0 HA ILE A 82 7.469 0.892 0.004 1.00 0.04 H new ATOM 0 HB ILE A 82 6.729 3.035 -0.189 1.00 0.05 H new ATOM 0 HG12 ILE A 82 4.268 3.409 0.983 1.00 0.05 H new ATOM 0 HG13 ILE A 82 5.108 2.480 2.208 1.00 0.05 H new ATOM 0 HG21 ILE A 82 4.442 2.824 -1.127 1.00 0.05 H new ATOM 0 HG22 ILE A 82 5.523 1.497 -1.615 1.00 0.05 H new ATOM 0 HG23 ILE A 82 4.302 1.230 -0.349 1.00 0.05 H new ATOM 0 HD11 ILE A 82 5.441 4.875 2.543 1.00 0.06 H new ATOM 0 HD12 ILE A 82 6.981 4.074 2.151 1.00 0.06 H new ATOM 0 HD13 ILE A 82 6.127 5.018 0.907 1.00 0.06 H new ATOM 1284 N LYS A 83 7.050 1.800 3.217 1.00 0.05 N ATOM 1285 CA LYS A 83 7.767 2.201 4.431 1.00 0.05 C ATOM 1286 C LYS A 83 8.985 1.354 4.692 1.00 0.05 C ATOM 1287 O LYS A 83 9.963 1.816 5.260 1.00 0.06 O ATOM 1288 CB LYS A 83 6.839 2.104 5.627 1.00 0.06 C ATOM 1289 CG LYS A 83 6.523 3.445 6.223 1.00 0.10 C ATOM 1290 CD LYS A 83 5.800 4.300 5.217 1.00 0.12 C ATOM 1291 CE LYS A 83 5.893 5.735 5.606 1.00 0.20 C ATOM 1292 NZ LYS A 83 5.055 6.618 4.760 1.00 0.95 N1+ ATOM 0 H LYS A 83 6.053 1.639 3.359 1.00 0.05 H new ATOM 0 HA LYS A 83 8.100 3.227 4.279 1.00 0.05 H new ATOM 0 HB2 LYS A 83 5.912 1.618 5.324 1.00 0.06 H new ATOM 0 HB3 LYS A 83 7.297 1.471 6.387 1.00 0.06 H new ATOM 0 HG2 LYS A 83 5.908 3.320 7.114 1.00 0.10 H new ATOM 0 HG3 LYS A 83 7.443 3.938 6.537 1.00 0.10 H new ATOM 0 HD2 LYS A 83 6.232 4.155 4.227 1.00 0.12 H new ATOM 0 HD3 LYS A 83 4.754 3.998 5.156 1.00 0.12 H new ATOM 0 HE2 LYS A 83 5.590 5.844 6.647 1.00 0.20 H new ATOM 0 HE3 LYS A 83 6.932 6.057 5.541 1.00 0.20 H new ATOM 0 HZ1 LYS A 83 5.309 7.611 4.936 1.00 0.95 H new ATOM 0 HZ2 LYS A 83 5.215 6.392 3.757 1.00 0.95 H new ATOM 0 HZ3 LYS A 83 4.052 6.471 4.992 1.00 0.95 H new ATOM 1306 N ALA A 84 8.888 0.113 4.309 1.00 0.05 N ATOM 1307 CA ALA A 84 9.979 -0.808 4.359 1.00 0.05 C ATOM 1308 C ALA A 84 11.036 -0.392 3.414 1.00 0.04 C ATOM 1309 O ALA A 84 12.213 -0.322 3.750 1.00 0.05 O ATOM 1310 CB ALA A 84 9.466 -2.122 3.920 1.00 0.05 C ATOM 0 H ALA A 84 8.026 -0.293 3.945 1.00 0.05 H new ATOM 0 HA ALA A 84 10.390 -0.846 5.368 1.00 0.05 H new ATOM 0 HB1 ALA A 84 10.273 -2.854 3.945 1.00 0.05 H new ATOM 0 HB2 ALA A 84 8.665 -2.441 4.587 1.00 0.05 H new ATOM 0 HB3 ALA A 84 9.081 -2.041 2.904 1.00 0.05 H new ATOM 1316 N ILE A 85 10.592 -0.123 2.217 1.00 0.04 N ATOM 1317 CA ILE A 85 11.462 0.304 1.199 1.00 0.04 C ATOM 1318 C ILE A 85 12.120 1.560 1.649 1.00 0.04 C ATOM 1319 O ILE A 85 13.322 1.702 1.575 1.00 0.05 O ATOM 1320 CB ILE A 85 10.700 0.545 -0.101 1.00 0.04 C ATOM 1321 CG1 ILE A 85 10.282 -0.788 -0.673 1.00 0.04 C ATOM 1322 CG2 ILE A 85 11.530 1.361 -1.067 1.00 0.04 C ATOM 1323 CD1 ILE A 85 9.332 -0.687 -1.832 1.00 0.04 C ATOM 0 H ILE A 85 9.614 -0.199 1.937 1.00 0.04 H new ATOM 0 HA ILE A 85 12.208 -0.467 1.006 1.00 0.04 H new ATOM 0 HB ILE A 85 9.801 1.130 0.092 1.00 0.04 H new ATOM 0 HG12 ILE A 85 11.172 -1.329 -0.993 1.00 0.04 H new ATOM 0 HG13 ILE A 85 9.815 -1.379 0.115 1.00 0.04 H new ATOM 0 HG21 ILE A 85 10.967 1.520 -1.986 1.00 0.04 H new ATOM 0 HG22 ILE A 85 11.770 2.324 -0.617 1.00 0.04 H new ATOM 0 HG23 ILE A 85 12.453 0.827 -1.295 1.00 0.04 H new ATOM 0 HD11 ILE A 85 9.081 -1.687 -2.185 1.00 0.04 H new ATOM 0 HD12 ILE A 85 8.423 -0.175 -1.514 1.00 0.04 H new ATOM 0 HD13 ILE A 85 9.801 -0.125 -2.639 1.00 0.04 H new ATOM 1335 N GLN A 86 11.302 2.422 2.203 1.00 0.04 N ATOM 1336 CA GLN A 86 11.733 3.664 2.707 1.00 0.05 C ATOM 1337 C GLN A 86 12.751 3.416 3.748 1.00 0.05 C ATOM 1338 O GLN A 86 13.818 3.937 3.674 1.00 0.07 O ATOM 1339 CB GLN A 86 10.578 4.403 3.327 1.00 0.06 C ATOM 1340 CG GLN A 86 9.428 4.544 2.382 1.00 0.06 C ATOM 1341 CD GLN A 86 8.962 5.957 2.219 1.00 0.07 C ATOM 1342 OE1 GLN A 86 9.540 6.627 1.257 1.00 0.09 O flip ATOM 1343 NE2 GLN A 86 8.095 6.440 2.948 1.00 0.08 N flip ATOM 0 H GLN A 86 10.301 2.258 2.309 1.00 0.04 H new ATOM 0 HA GLN A 86 12.145 4.263 1.894 1.00 0.05 H new ATOM 0 HB2 GLN A 86 10.249 3.875 4.222 1.00 0.06 H new ATOM 0 HB3 GLN A 86 10.909 5.392 3.644 1.00 0.06 H new ATOM 0 HG2 GLN A 86 9.718 4.150 1.408 1.00 0.06 H new ATOM 0 HG3 GLN A 86 8.598 3.934 2.738 1.00 0.06 H new ATOM 0 HE21 GLN A 86 7.675 5.874 3.685 1.00 0.08 H new ATOM 0 HE22 GLN A 86 7.797 7.406 2.815 1.00 0.08 H new ATOM 1352 N ASP A 87 12.390 2.553 4.677 1.00 0.05 N ATOM 1353 CA ASP A 87 13.240 2.214 5.810 1.00 0.06 C ATOM 1354 C ASP A 87 14.618 1.888 5.339 1.00 0.06 C ATOM 1355 O ASP A 87 15.591 2.520 5.709 1.00 0.08 O ATOM 1356 CB ASP A 87 12.733 0.976 6.547 1.00 0.08 C ATOM 1357 CG ASP A 87 12.835 1.124 8.051 1.00 0.20 C ATOM 1358 OD1 ASP A 87 11.785 1.163 8.719 1.00 0.40 O ATOM 1359 OD2 ASP A 87 13.970 1.198 8.575 1.00 0.39 O1- ATOM 0 H ASP A 87 11.495 2.063 4.671 1.00 0.05 H new ATOM 0 HA ASP A 87 13.232 3.079 6.474 1.00 0.06 H new ATOM 0 HB2 ASP A 87 11.695 0.791 6.271 1.00 0.08 H new ATOM 0 HB3 ASP A 87 13.307 0.106 6.229 1.00 0.08 H new ATOM 1364 N VAL A 88 14.685 0.908 4.488 1.00 0.04 N ATOM 1365 CA VAL A 88 15.951 0.396 4.077 1.00 0.04 C ATOM 1366 C VAL A 88 16.627 1.379 3.110 1.00 0.04 C ATOM 1367 O VAL A 88 17.806 1.648 3.248 1.00 0.05 O ATOM 1368 CB VAL A 88 15.814 -1.015 3.494 1.00 0.04 C ATOM 1369 CG1 VAL A 88 14.778 -1.813 4.270 1.00 0.04 C ATOM 1370 CG2 VAL A 88 15.461 -0.965 2.044 1.00 0.04 C ATOM 0 H VAL A 88 13.877 0.450 4.067 1.00 0.04 H new ATOM 0 HA VAL A 88 16.599 0.301 4.948 1.00 0.04 H new ATOM 0 HB VAL A 88 16.778 -1.515 3.588 1.00 0.04 H new ATOM 0 HG11 VAL A 88 14.694 -2.812 3.843 1.00 0.04 H new ATOM 0 HG12 VAL A 88 15.084 -1.889 5.313 1.00 0.04 H new ATOM 0 HG13 VAL A 88 13.813 -1.310 4.211 1.00 0.04 H new ATOM 0 HG21 VAL A 88 15.370 -1.980 1.656 1.00 0.04 H new ATOM 0 HG22 VAL A 88 14.513 -0.442 1.918 1.00 0.04 H new ATOM 0 HG23 VAL A 88 16.242 -0.436 1.497 1.00 0.04 H new ATOM 1380 N ASN A 89 15.853 1.976 2.189 1.00 0.05 N ATOM 1381 CA ASN A 89 16.327 3.049 1.317 1.00 0.06 C ATOM 1382 C ASN A 89 16.838 4.195 2.146 1.00 0.07 C ATOM 1383 O ASN A 89 17.738 4.933 1.750 1.00 0.09 O ATOM 1384 CB ASN A 89 15.165 3.557 0.478 1.00 0.06 C ATOM 1385 CG ASN A 89 14.803 2.635 -0.654 1.00 0.06 C ATOM 1386 OD1 ASN A 89 15.239 1.495 -0.701 1.00 0.05 O ATOM 1387 ND2 ASN A 89 13.953 3.112 -1.542 1.00 0.08 N ATOM 0 H ASN A 89 14.877 1.723 2.032 1.00 0.05 H new ATOM 0 HA ASN A 89 17.125 2.663 0.682 1.00 0.06 H new ATOM 0 HB2 ASN A 89 14.294 3.693 1.120 1.00 0.06 H new ATOM 0 HB3 ASN A 89 15.419 4.537 0.073 1.00 0.06 H new ATOM 0 HD21 ASN A 89 13.632 2.522 -2.309 1.00 0.08 H new ATOM 0 HD22 ASN A 89 13.616 4.071 -1.461 1.00 0.08 H new ATOM 1394 N ALA A 90 16.241 4.311 3.308 1.00 0.07 N ATOM 1395 CA ALA A 90 16.508 5.387 4.235 1.00 0.08 C ATOM 1396 C ALA A 90 17.830 5.160 4.914 1.00 0.09 C ATOM 1397 O ALA A 90 18.361 6.026 5.602 1.00 0.12 O ATOM 1398 CB ALA A 90 15.394 5.453 5.254 1.00 0.09 C ATOM 0 H ALA A 90 15.542 3.648 3.643 1.00 0.07 H new ATOM 0 HA ALA A 90 16.555 6.334 3.697 1.00 0.08 H new ATOM 0 HB1 ALA A 90 15.591 6.263 5.956 1.00 0.09 H new ATOM 0 HB2 ALA A 90 14.447 5.635 4.746 1.00 0.09 H new ATOM 0 HB3 ALA A 90 15.340 4.509 5.796 1.00 0.09 H new ATOM 1404 N GLN A 91 18.338 3.963 4.721 1.00 0.07 N ATOM 1405 CA GLN A 91 19.604 3.569 5.268 1.00 0.08 C ATOM 1406 C GLN A 91 20.694 3.902 4.292 1.00 0.08 C ATOM 1407 O GLN A 91 21.838 4.027 4.659 1.00 0.10 O ATOM 1408 CB GLN A 91 19.595 2.083 5.592 1.00 0.07 C ATOM 1409 CG GLN A 91 18.479 1.651 6.525 1.00 0.08 C ATOM 1410 CD GLN A 91 18.197 2.625 7.648 1.00 0.11 C ATOM 1411 OE1 GLN A 91 18.808 2.602 8.699 1.00 0.25 O ATOM 1412 NE2 GLN A 91 17.235 3.466 7.429 1.00 0.14 N ATOM 0 H GLN A 91 17.876 3.235 4.175 1.00 0.07 H new ATOM 0 HA GLN A 91 19.788 4.113 6.195 1.00 0.08 H new ATOM 0 HB2 GLN A 91 19.512 1.521 4.662 1.00 0.07 H new ATOM 0 HB3 GLN A 91 20.551 1.816 6.041 1.00 0.07 H new ATOM 0 HG2 GLN A 91 17.568 1.511 5.943 1.00 0.08 H new ATOM 0 HG3 GLN A 91 18.735 0.682 6.955 1.00 0.08 H new ATOM 0 HE21 GLN A 91 16.744 3.457 6.535 1.00 0.14 H new ATOM 0 HE22 GLN A 91 16.970 4.136 8.150 1.00 0.14 H new ATOM 1421 N PHE A 92 20.323 4.064 3.047 1.00 0.08 N ATOM 1422 CA PHE A 92 21.275 4.467 2.023 1.00 0.09 C ATOM 1423 C PHE A 92 21.225 5.941 1.778 1.00 0.11 C ATOM 1424 O PHE A 92 20.243 6.618 2.080 1.00 0.12 O ATOM 1425 CB PHE A 92 21.035 3.748 0.700 1.00 0.09 C ATOM 1426 CG PHE A 92 20.906 2.288 0.840 1.00 0.07 C ATOM 1427 CD1 PHE A 92 21.978 1.486 0.567 1.00 0.07 C ATOM 1428 CD2 PHE A 92 19.717 1.715 1.216 1.00 0.06 C ATOM 1429 CE1 PHE A 92 21.878 0.135 0.657 1.00 0.08 C ATOM 1430 CE2 PHE A 92 19.607 0.361 1.313 1.00 0.06 C ATOM 1431 CZ PHE A 92 20.646 -0.413 1.173 1.00 0.06 C ATOM 0 H PHE A 92 19.370 3.925 2.710 1.00 0.08 H new ATOM 0 HA PHE A 92 22.258 4.191 2.404 1.00 0.09 H new ATOM 0 HB2 PHE A 92 20.129 4.142 0.240 1.00 0.09 H new ATOM 0 HB3 PHE A 92 21.859 3.969 0.021 1.00 0.09 H new ATOM 0 HD1 PHE A 92 22.917 1.933 0.276 1.00 0.07 H new ATOM 0 HD2 PHE A 92 18.865 2.341 1.436 1.00 0.06 H new ATOM 0 HE1 PHE A 92 22.691 -0.507 0.353 1.00 0.08 H new ATOM 0 HE2 PHE A 92 18.641 -0.079 1.510 1.00 0.06 H new ATOM 0 HZ PHE A 92 20.586 -1.457 1.441 1.00 0.06 H new ATOM 1441 N GLU A 93 22.317 6.418 1.226 1.00 0.12 N ATOM 1442 CA GLU A 93 22.435 7.784 0.826 1.00 0.14 C ATOM 1443 C GLU A 93 21.412 8.070 -0.266 1.00 0.14 C ATOM 1444 O GLU A 93 20.923 9.188 -0.416 1.00 0.16 O ATOM 1445 CB GLU A 93 23.849 8.048 0.337 1.00 0.16 C ATOM 1446 CG GLU A 93 24.912 7.635 1.347 1.00 0.17 C ATOM 1447 CD GLU A 93 26.222 8.367 1.153 1.00 0.22 C ATOM 1448 OE1 GLU A 93 26.448 9.374 1.854 1.00 0.45 O ATOM 1449 OE2 GLU A 93 27.027 7.944 0.301 1.00 0.37 O1- ATOM 0 H GLU A 93 23.149 5.857 1.045 1.00 0.12 H new ATOM 0 HA GLU A 93 22.239 8.446 1.670 1.00 0.14 H new ATOM 0 HB2 GLU A 93 24.012 7.508 -0.596 1.00 0.16 H new ATOM 0 HB3 GLU A 93 23.959 9.109 0.115 1.00 0.16 H new ATOM 0 HG2 GLU A 93 24.542 7.823 2.355 1.00 0.17 H new ATOM 0 HG3 GLU A 93 25.085 6.562 1.267 1.00 0.17 H new ATOM 1456 N LYS A 94 21.086 7.013 -1.006 1.00 0.13 N ATOM 1457 CA LYS A 94 20.057 7.047 -2.033 1.00 0.14 C ATOM 1458 C LYS A 94 19.282 5.749 -1.949 1.00 0.12 C ATOM 1459 O LYS A 94 19.861 4.699 -1.694 1.00 0.12 O ATOM 1460 CB LYS A 94 20.616 7.179 -3.453 1.00 0.21 C ATOM 1461 CG LYS A 94 22.060 7.653 -3.551 1.00 0.75 C ATOM 1462 CD LYS A 94 22.166 9.163 -3.423 1.00 1.25 C ATOM 1463 CE LYS A 94 23.606 9.629 -3.530 1.00 2.08 C ATOM 1464 NZ LYS A 94 23.710 11.110 -3.522 1.00 2.94 N1+ ATOM 0 H LYS A 94 21.535 6.102 -0.906 1.00 0.13 H new ATOM 0 HA LYS A 94 19.437 7.925 -1.850 1.00 0.14 H new ATOM 0 HB2 LYS A 94 20.536 6.211 -3.947 1.00 0.21 H new ATOM 0 HB3 LYS A 94 19.986 7.873 -4.009 1.00 0.21 H new ATOM 0 HG2 LYS A 94 22.652 7.179 -2.768 1.00 0.75 H new ATOM 0 HG3 LYS A 94 22.482 7.338 -4.505 1.00 0.75 H new ATOM 0 HD2 LYS A 94 21.570 9.638 -4.202 1.00 1.25 H new ATOM 0 HD3 LYS A 94 21.750 9.478 -2.466 1.00 1.25 H new ATOM 0 HE2 LYS A 94 24.183 9.220 -2.700 1.00 2.08 H new ATOM 0 HE3 LYS A 94 24.047 9.239 -4.447 1.00 2.08 H new ATOM 0 HZ1 LYS A 94 24.709 11.388 -3.597 1.00 2.94 H new ATOM 0 HZ2 LYS A 94 23.181 11.500 -4.328 1.00 2.94 H new ATOM 0 HZ3 LYS A 94 23.313 11.481 -2.635 1.00 2.94 H new ATOM 1478 N PRO A 95 17.981 5.815 -2.182 1.00 0.11 N ATOM 1479 CA PRO A 95 17.075 4.677 -2.078 1.00 0.09 C ATOM 1480 C PRO A 95 17.571 3.486 -2.818 1.00 0.08 C ATOM 1481 O PRO A 95 18.035 3.610 -3.953 1.00 0.10 O ATOM 1482 CB PRO A 95 15.812 5.183 -2.751 1.00 0.11 C ATOM 1483 CG PRO A 95 15.842 6.634 -2.506 1.00 0.13 C ATOM 1484 CD PRO A 95 17.290 7.015 -2.632 1.00 0.14 C ATOM 0 HA PRO A 95 16.950 4.357 -1.044 1.00 0.09 H new ATOM 0 HB2 PRO A 95 15.809 4.957 -3.817 1.00 0.11 H new ATOM 0 HB3 PRO A 95 14.920 4.724 -2.325 1.00 0.11 H new ATOM 0 HG2 PRO A 95 15.228 7.170 -3.229 1.00 0.13 H new ATOM 0 HG3 PRO A 95 15.454 6.876 -1.517 1.00 0.13 H new ATOM 0 HD2 PRO A 95 17.553 7.272 -3.658 1.00 0.14 H new ATOM 0 HD3 PRO A 95 17.536 7.879 -2.014 1.00 0.14 H new ATOM 1492 N ALA A 96 17.463 2.320 -2.217 1.00 0.06 N ATOM 1493 CA ALA A 96 17.811 1.184 -2.974 1.00 0.06 C ATOM 1494 C ALA A 96 16.753 0.123 -2.890 1.00 0.05 C ATOM 1495 O ALA A 96 17.020 -1.033 -2.595 1.00 0.05 O ATOM 1496 CB ALA A 96 19.095 0.656 -2.402 1.00 0.05 C ATOM 0 H ALA A 96 17.153 2.157 -1.259 1.00 0.06 H new ATOM 0 HA ALA A 96 17.915 1.456 -4.024 1.00 0.06 H new ATOM 0 HB1 ALA A 96 19.405 -0.228 -2.959 1.00 0.05 H new ATOM 0 HB2 ALA A 96 19.868 1.421 -2.476 1.00 0.05 H new ATOM 0 HB3 ALA A 96 18.945 0.391 -1.355 1.00 0.05 H new ATOM 1502 N ILE A 97 15.561 0.544 -3.207 1.00 0.06 N ATOM 1503 CA ILE A 97 14.519 -0.228 -3.806 1.00 0.07 C ATOM 1504 C ILE A 97 13.761 0.730 -4.636 1.00 0.08 C ATOM 1505 O ILE A 97 12.981 1.491 -4.092 1.00 0.10 O ATOM 1506 CB ILE A 97 13.588 -0.866 -2.801 1.00 0.07 C ATOM 1507 CG1 ILE A 97 14.248 -2.067 -2.194 1.00 0.06 C ATOM 1508 CG2 ILE A 97 12.242 -1.221 -3.418 1.00 0.08 C ATOM 1509 CD1 ILE A 97 14.745 -1.789 -0.818 1.00 0.05 C ATOM 0 H ILE A 97 15.275 1.509 -3.039 1.00 0.06 H new ATOM 0 HA ILE A 97 14.950 -1.055 -4.370 1.00 0.07 H new ATOM 0 HB ILE A 97 13.384 -0.141 -2.013 1.00 0.07 H new ATOM 0 HG12 ILE A 97 13.539 -2.895 -2.164 1.00 0.06 H new ATOM 0 HG13 ILE A 97 15.080 -2.382 -2.824 1.00 0.06 H new ATOM 0 HG21 ILE A 97 11.604 -1.677 -2.661 1.00 0.08 H new ATOM 0 HG22 ILE A 97 11.766 -0.317 -3.797 1.00 0.08 H new ATOM 0 HG23 ILE A 97 12.392 -1.924 -4.238 1.00 0.08 H new ATOM 0 HD11 ILE A 97 15.217 -2.685 -0.414 1.00 0.05 H new ATOM 0 HD12 ILE A 97 15.473 -0.979 -0.851 1.00 0.05 H new ATOM 0 HD13 ILE A 97 13.909 -1.500 -0.181 1.00 0.05 H new ATOM 1521 N VAL A 98 13.997 0.772 -5.883 1.00 0.09 N ATOM 1522 CA VAL A 98 13.320 1.742 -6.689 1.00 0.10 C ATOM 1523 C VAL A 98 12.761 1.088 -7.923 1.00 0.10 C ATOM 1524 O VAL A 98 13.499 0.619 -8.789 1.00 0.14 O ATOM 1525 CB VAL A 98 14.214 2.945 -7.009 1.00 0.10 C ATOM 1526 CG1 VAL A 98 14.516 3.693 -5.705 1.00 0.10 C ATOM 1527 CG2 VAL A 98 15.490 2.502 -7.704 1.00 0.11 C ATOM 0 H VAL A 98 14.644 0.160 -6.380 1.00 0.09 H new ATOM 0 HA VAL A 98 12.482 2.143 -6.119 1.00 0.10 H new ATOM 0 HB VAL A 98 13.697 3.616 -7.695 1.00 0.10 H new ATOM 0 HG11 VAL A 98 15.152 4.552 -5.917 1.00 0.10 H new ATOM 0 HG12 VAL A 98 13.583 4.034 -5.257 1.00 0.10 H new ATOM 0 HG13 VAL A 98 15.028 3.025 -5.013 1.00 0.10 H new ATOM 0 HG21 VAL A 98 16.108 3.374 -7.921 1.00 0.11 H new ATOM 0 HG22 VAL A 98 16.040 1.820 -7.055 1.00 0.11 H new ATOM 0 HG23 VAL A 98 15.240 1.994 -8.635 1.00 0.11 H new ATOM 1537 N ASP A 99 11.439 1.024 -7.943 1.00 0.09 N ATOM 1538 CA ASP A 99 10.694 0.277 -8.961 1.00 0.11 C ATOM 1539 C ASP A 99 10.754 -1.215 -8.651 1.00 0.09 C ATOM 1540 O ASP A 99 10.926 -2.055 -9.536 1.00 0.11 O ATOM 1541 CB ASP A 99 11.232 0.554 -10.368 1.00 0.14 C ATOM 1542 CG ASP A 99 10.377 -0.032 -11.480 1.00 0.31 C ATOM 1543 OD1 ASP A 99 10.937 -0.715 -12.367 1.00 0.53 O ATOM 1544 OD2 ASP A 99 9.151 0.180 -11.474 1.00 0.52 O1- ATOM 0 H ASP A 99 10.845 1.487 -7.255 1.00 0.09 H new ATOM 0 HA ASP A 99 9.656 0.609 -8.937 1.00 0.11 H new ATOM 0 HB2 ASP A 99 11.309 1.632 -10.511 1.00 0.14 H new ATOM 0 HB3 ASP A 99 12.241 0.149 -10.447 1.00 0.14 H new ATOM 1549 N GLY A 100 10.615 -1.537 -7.370 1.00 0.07 N ATOM 1550 CA GLY A 100 10.655 -2.918 -6.938 1.00 0.08 C ATOM 1551 C GLY A 100 12.012 -3.546 -7.096 1.00 0.08 C ATOM 1552 O GLY A 100 12.175 -4.743 -6.873 1.00 0.10 O ATOM 0 H GLY A 100 10.475 -0.860 -6.620 1.00 0.07 H new ATOM 0 HA2 GLY A 100 10.355 -2.974 -5.892 1.00 0.08 H new ATOM 0 HA3 GLY A 100 9.926 -3.493 -7.510 1.00 0.08 H new ATOM 1556 N VAL A 101 12.982 -2.760 -7.510 1.00 0.08 N ATOM 1557 CA VAL A 101 14.316 -3.253 -7.665 1.00 0.09 C ATOM 1558 C VAL A 101 15.292 -2.370 -6.951 1.00 0.08 C ATOM 1559 O VAL A 101 15.248 -1.149 -7.016 1.00 0.09 O ATOM 1560 CB VAL A 101 14.708 -3.409 -9.139 1.00 0.11 C ATOM 1561 CG1 VAL A 101 14.608 -2.079 -9.877 1.00 0.12 C ATOM 1562 CG2 VAL A 101 16.109 -3.999 -9.254 1.00 0.15 C ATOM 0 H VAL A 101 12.862 -1.774 -7.744 1.00 0.08 H new ATOM 0 HA VAL A 101 14.346 -4.246 -7.216 1.00 0.09 H new ATOM 0 HB VAL A 101 14.007 -4.098 -9.610 1.00 0.11 H new ATOM 0 HG11 VAL A 101 14.892 -2.219 -10.920 1.00 0.12 H new ATOM 0 HG12 VAL A 101 13.583 -1.711 -9.826 1.00 0.12 H new ATOM 0 HG13 VAL A 101 15.277 -1.354 -9.413 1.00 0.12 H new ATOM 0 HG21 VAL A 101 16.374 -4.104 -10.306 1.00 0.15 H new ATOM 0 HG22 VAL A 101 16.824 -3.338 -8.764 1.00 0.15 H new ATOM 0 HG23 VAL A 101 16.132 -4.978 -8.774 1.00 0.15 H new ATOM 1572 N LEU A 102 16.166 -3.031 -6.278 1.00 0.07 N ATOM 1573 CA LEU A 102 17.169 -2.421 -5.480 1.00 0.07 C ATOM 1574 C LEU A 102 18.176 -1.668 -6.331 1.00 0.09 C ATOM 1575 O LEU A 102 18.434 -2.006 -7.487 1.00 0.11 O ATOM 1576 CB LEU A 102 17.853 -3.539 -4.723 1.00 0.07 C ATOM 1577 CG LEU A 102 19.341 -3.350 -4.467 1.00 0.07 C ATOM 1578 CD1 LEU A 102 19.553 -2.389 -3.323 1.00 0.06 C ATOM 1579 CD2 LEU A 102 20.027 -4.668 -4.182 1.00 0.07 C ATOM 0 H LEU A 102 16.203 -4.050 -6.268 1.00 0.07 H new ATOM 0 HA LEU A 102 16.725 -1.690 -4.804 1.00 0.07 H new ATOM 0 HB2 LEU A 102 17.351 -3.663 -3.763 1.00 0.07 H new ATOM 0 HB3 LEU A 102 17.714 -4.467 -5.278 1.00 0.07 H new ATOM 0 HG LEU A 102 19.787 -2.934 -5.370 1.00 0.07 H new ATOM 0 HD11 LEU A 102 20.621 -2.261 -3.148 1.00 0.06 H new ATOM 0 HD12 LEU A 102 19.108 -1.425 -3.570 1.00 0.06 H new ATOM 0 HD13 LEU A 102 19.083 -2.786 -2.423 1.00 0.06 H new ATOM 0 HD21 LEU A 102 21.088 -4.495 -4.004 1.00 0.07 H new ATOM 0 HD22 LEU A 102 19.581 -5.127 -3.299 1.00 0.07 H new ATOM 0 HD23 LEU A 102 19.906 -5.333 -5.037 1.00 0.07 H new ATOM 1591 N ASP A 103 18.743 -0.663 -5.718 1.00 0.09 N ATOM 1592 CA ASP A 103 19.794 0.117 -6.313 1.00 0.11 C ATOM 1593 C ASP A 103 21.084 -0.314 -5.684 1.00 0.11 C ATOM 1594 O ASP A 103 21.462 0.191 -4.651 1.00 0.10 O ATOM 1595 CB ASP A 103 19.621 1.589 -6.012 1.00 0.13 C ATOM 1596 CG ASP A 103 19.958 2.471 -7.193 1.00 0.20 C ATOM 1597 OD1 ASP A 103 19.026 2.979 -7.848 1.00 0.46 O ATOM 1598 OD2 ASP A 103 21.159 2.650 -7.486 1.00 0.48 O1- ATOM 0 H ASP A 103 18.484 -0.360 -4.779 1.00 0.09 H new ATOM 0 HA ASP A 103 19.778 -0.033 -7.393 1.00 0.11 H new ATOM 0 HB2 ASP A 103 18.591 1.775 -5.708 1.00 0.13 H new ATOM 0 HB3 ASP A 103 20.256 1.860 -5.169 1.00 0.13 H new ATOM 1603 N THR A 104 21.755 -1.224 -6.318 1.00 0.12 N ATOM 1604 CA THR A 104 22.991 -1.791 -5.796 1.00 0.14 C ATOM 1605 C THR A 104 24.083 -0.761 -5.828 1.00 0.16 C ATOM 1606 O THR A 104 25.160 -0.915 -5.249 1.00 0.19 O ATOM 1607 CB THR A 104 23.399 -2.998 -6.620 1.00 0.16 C ATOM 1608 OG1 THR A 104 24.125 -2.595 -7.789 1.00 0.20 O ATOM 1609 CG2 THR A 104 22.150 -3.712 -7.046 1.00 0.16 C ATOM 0 H THR A 104 21.471 -1.607 -7.220 1.00 0.12 H new ATOM 0 HA THR A 104 22.826 -2.104 -4.765 1.00 0.14 H new ATOM 0 HB THR A 104 24.040 -3.645 -6.021 1.00 0.16 H new ATOM 0 HG1 THR A 104 24.380 -3.388 -8.305 1.00 0.20 H new ATOM 0 HG21 THR A 104 22.415 -4.586 -7.641 1.00 0.16 H new ATOM 0 HG22 THR A 104 21.593 -4.029 -6.164 1.00 0.16 H new ATOM 0 HG23 THR A 104 21.533 -3.040 -7.643 1.00 0.16 H new ATOM 1617 N ASN A 105 23.755 0.303 -6.507 1.00 0.16 N ATOM 1618 CA ASN A 105 24.643 1.423 -6.671 1.00 0.20 C ATOM 1619 C ASN A 105 24.510 2.347 -5.489 1.00 0.19 C ATOM 1620 O ASN A 105 25.244 3.324 -5.335 1.00 0.26 O ATOM 1621 CB ASN A 105 24.285 2.162 -7.941 1.00 0.26 C ATOM 1622 CG ASN A 105 25.454 2.915 -8.537 1.00 0.37 C ATOM 1623 OD1 ASN A 105 25.654 4.101 -8.269 1.00 0.70 O ATOM 1624 ND2 ASN A 105 26.238 2.228 -9.345 1.00 0.90 N ATOM 0 H ASN A 105 22.853 0.419 -6.968 1.00 0.16 H new ATOM 0 HA ASN A 105 25.672 1.070 -6.735 1.00 0.20 H new ATOM 0 HB2 ASN A 105 23.907 1.450 -8.675 1.00 0.26 H new ATOM 0 HB3 ASN A 105 23.477 2.863 -7.731 1.00 0.26 H new ATOM 0 HD21 ASN A 105 27.046 2.677 -9.775 1.00 0.90 H new ATOM 0 HD22 ASN A 105 26.036 1.247 -9.540 1.00 0.90 H new ATOM 1631 N ALA A 106 23.552 2.009 -4.664 1.00 0.14 N ATOM 1632 CA ALA A 106 23.231 2.804 -3.479 1.00 0.13 C ATOM 1633 C ALA A 106 24.312 2.704 -2.440 1.00 0.14 C ATOM 1634 O ALA A 106 25.286 1.965 -2.579 1.00 0.20 O ATOM 1635 CB ALA A 106 21.893 2.406 -2.886 1.00 0.10 C ATOM 0 H ALA A 106 22.968 1.181 -4.783 1.00 0.14 H new ATOM 0 HA ALA A 106 23.164 3.843 -3.803 1.00 0.13 H new ATOM 0 HB1 ALA A 106 21.688 3.018 -2.007 1.00 0.10 H new ATOM 0 HB2 ALA A 106 21.107 2.559 -3.626 1.00 0.10 H new ATOM 0 HB3 ALA A 106 21.921 1.355 -2.598 1.00 0.10 H new ATOM 1641 N LYS A 107 24.112 3.460 -1.397 1.00 0.13 N ATOM 1642 CA LYS A 107 25.125 3.675 -0.405 1.00 0.14 C ATOM 1643 C LYS A 107 24.570 3.534 0.976 1.00 0.12 C ATOM 1644 O LYS A 107 24.019 4.484 1.504 1.00 0.12 O ATOM 1645 CB LYS A 107 25.672 5.075 -0.546 1.00 0.17 C ATOM 1646 CG LYS A 107 26.874 5.178 -1.433 1.00 0.25 C ATOM 1647 CD LYS A 107 28.011 4.344 -0.885 1.00 0.80 C ATOM 1648 CE LYS A 107 28.454 4.882 0.461 1.00 1.20 C ATOM 1649 NZ LYS A 107 29.084 6.225 0.362 1.00 1.99 N1+ ATOM 0 H LYS A 107 23.235 3.947 -1.211 1.00 0.13 H new ATOM 0 HA LYS A 107 25.906 2.929 -0.556 1.00 0.14 H new ATOM 0 HB2 LYS A 107 24.888 5.722 -0.939 1.00 0.17 H new ATOM 0 HB3 LYS A 107 25.931 5.453 0.443 1.00 0.17 H new ATOM 0 HG2 LYS A 107 26.621 4.842 -2.439 1.00 0.25 H new ATOM 0 HG3 LYS A 107 27.185 6.219 -1.514 1.00 0.25 H new ATOM 0 HD2 LYS A 107 27.694 3.306 -0.783 1.00 0.80 H new ATOM 0 HD3 LYS A 107 28.849 4.355 -1.583 1.00 0.80 H new ATOM 0 HE2 LYS A 107 27.593 4.937 1.127 1.00 1.20 H new ATOM 0 HE3 LYS A 107 29.161 4.186 0.911 1.00 1.20 H new ATOM 0 HZ1 LYS A 107 29.869 6.291 1.041 1.00 1.99 H new ATOM 0 HZ2 LYS A 107 29.448 6.368 -0.602 1.00 1.99 H new ATOM 0 HZ3 LYS A 107 28.377 6.957 0.577 1.00 1.99 H new ATOM 1663 N ALA A 108 24.729 2.378 1.570 1.00 0.11 N ATOM 1664 CA ALA A 108 24.225 2.174 2.907 1.00 0.10 C ATOM 1665 C ALA A 108 24.972 3.098 3.858 1.00 0.11 C ATOM 1666 O ALA A 108 26.132 2.855 4.195 1.00 0.13 O ATOM 1667 CB ALA A 108 24.355 0.714 3.309 1.00 0.10 C ATOM 0 H ALA A 108 25.197 1.572 1.156 1.00 0.11 H new ATOM 0 HA ALA A 108 23.163 2.417 2.949 1.00 0.10 H new ATOM 0 HB1 ALA A 108 23.970 0.579 4.320 1.00 0.10 H new ATOM 0 HB2 ALA A 108 23.784 0.094 2.618 1.00 0.10 H new ATOM 0 HB3 ALA A 108 25.404 0.420 3.278 1.00 0.10 H new ATOM 1673 N LYS A 109 24.302 4.193 4.209 1.00 0.11 N ATOM 1674 CA LYS A 109 24.840 5.238 5.067 1.00 0.13 C ATOM 1675 C LYS A 109 25.536 4.692 6.309 1.00 0.15 C ATOM 1676 O LYS A 109 25.333 3.546 6.707 1.00 0.14 O ATOM 1677 CB LYS A 109 23.701 6.147 5.510 1.00 0.14 C ATOM 1678 CG LYS A 109 23.360 7.198 4.482 1.00 0.15 C ATOM 1679 CD LYS A 109 22.280 8.140 4.971 1.00 0.17 C ATOM 1680 CE LYS A 109 20.922 7.475 4.919 1.00 0.16 C ATOM 1681 NZ LYS A 109 19.874 8.292 5.578 1.00 0.26 N1+ ATOM 0 H LYS A 109 23.349 4.380 3.896 1.00 0.11 H new ATOM 0 HA LYS A 109 25.586 5.779 4.485 1.00 0.13 H new ATOM 0 HB2 LYS A 109 22.817 5.542 5.712 1.00 0.14 H new ATOM 0 HB3 LYS A 109 23.974 6.635 6.446 1.00 0.14 H new ATOM 0 HG2 LYS A 109 24.255 7.769 4.237 1.00 0.15 H new ATOM 0 HG3 LYS A 109 23.030 6.713 3.563 1.00 0.15 H new ATOM 0 HD2 LYS A 109 22.498 8.452 5.992 1.00 0.17 H new ATOM 0 HD3 LYS A 109 22.272 9.041 4.358 1.00 0.17 H new ATOM 0 HE2 LYS A 109 20.644 7.300 3.880 1.00 0.16 H new ATOM 0 HE3 LYS A 109 20.978 6.500 5.402 1.00 0.16 H new ATOM 0 HZ1 LYS A 109 19.038 7.701 5.762 1.00 0.26 H new ATOM 0 HZ2 LYS A 109 20.239 8.665 6.478 1.00 0.26 H new ATOM 0 HZ3 LYS A 109 19.609 9.083 4.957 1.00 0.26 H new ATOM 1695 N SER A 110 26.315 5.549 6.953 1.00 0.19 N ATOM 1696 CA SER A 110 26.951 5.217 8.223 1.00 0.22 C ATOM 1697 C SER A 110 25.917 5.193 9.335 1.00 0.23 C ATOM 1698 O SER A 110 26.227 4.958 10.503 1.00 0.26 O ATOM 1699 CB SER A 110 28.038 6.234 8.547 1.00 0.27 C ATOM 1700 OG SER A 110 28.916 6.408 7.445 1.00 0.29 O ATOM 0 H SER A 110 26.524 6.488 6.614 1.00 0.19 H new ATOM 0 HA SER A 110 27.404 4.229 8.140 1.00 0.22 H new ATOM 0 HB2 SER A 110 27.582 7.189 8.807 1.00 0.27 H new ATOM 0 HB3 SER A 110 28.603 5.903 9.418 1.00 0.27 H new ATOM 0 HG SER A 110 29.604 7.066 7.676 1.00 0.29 H new ATOM 1706 N ASP A 111 24.688 5.452 8.943 1.00 0.21 N ATOM 1707 CA ASP A 111 23.578 5.522 9.855 1.00 0.23 C ATOM 1708 C ASP A 111 22.619 4.383 9.553 1.00 0.19 C ATOM 1709 O ASP A 111 21.749 4.057 10.360 1.00 0.21 O ATOM 1710 CB ASP A 111 22.887 6.879 9.714 1.00 0.28 C ATOM 1711 CG ASP A 111 21.687 7.042 10.628 1.00 0.77 C ATOM 1712 OD1 ASP A 111 20.543 7.046 10.126 1.00 1.51 O ATOM 1713 OD2 ASP A 111 21.881 7.153 11.858 1.00 0.70 O1- ATOM 0 H ASP A 111 24.434 5.621 7.970 1.00 0.21 H new ATOM 0 HA ASP A 111 23.924 5.423 10.884 1.00 0.23 H new ATOM 0 HB2 ASP A 111 23.607 7.669 9.928 1.00 0.28 H new ATOM 0 HB3 ASP A 111 22.567 7.010 8.680 1.00 0.28 H new ATOM 1718 N ALA A 112 22.793 3.787 8.364 1.00 0.14 N ATOM 1719 CA ALA A 112 22.040 2.612 7.967 1.00 0.11 C ATOM 1720 C ALA A 112 22.011 1.572 9.064 1.00 0.12 C ATOM 1721 O ALA A 112 23.029 1.014 9.478 1.00 0.15 O ATOM 1722 CB ALA A 112 22.609 1.999 6.703 1.00 0.10 C ATOM 0 H ALA A 112 23.458 4.112 7.662 1.00 0.14 H new ATOM 0 HA ALA A 112 21.019 2.942 7.774 1.00 0.11 H new ATOM 0 HB1 ALA A 112 22.025 1.120 6.430 1.00 0.10 H new ATOM 0 HB2 ALA A 112 22.567 2.729 5.894 1.00 0.10 H new ATOM 0 HB3 ALA A 112 23.645 1.707 6.875 1.00 0.10 H new ATOM 1728 N LYS A 113 20.816 1.349 9.511 1.00 0.11 N ATOM 1729 CA LYS A 113 20.498 0.402 10.534 1.00 0.13 C ATOM 1730 C LYS A 113 19.284 -0.376 10.088 1.00 0.12 C ATOM 1731 O LYS A 113 18.152 0.099 10.179 1.00 0.13 O ATOM 1732 CB LYS A 113 20.198 1.141 11.815 1.00 0.15 C ATOM 1733 CG LYS A 113 20.791 0.483 13.043 1.00 0.24 C ATOM 1734 CD LYS A 113 20.420 1.234 14.312 1.00 0.34 C ATOM 1735 CE LYS A 113 20.973 0.550 15.550 1.00 1.46 C ATOM 1736 NZ LYS A 113 20.614 1.280 16.793 1.00 2.22 N1+ ATOM 0 H LYS A 113 19.998 1.844 9.157 1.00 0.11 H new ATOM 0 HA LYS A 113 21.332 -0.278 10.707 1.00 0.13 H new ATOM 0 HB2 LYS A 113 20.581 2.159 11.737 1.00 0.15 H new ATOM 0 HB3 LYS A 113 19.118 1.216 11.938 1.00 0.15 H new ATOM 0 HG2 LYS A 113 20.438 -0.546 13.112 1.00 0.24 H new ATOM 0 HG3 LYS A 113 21.876 0.442 12.947 1.00 0.24 H new ATOM 0 HD2 LYS A 113 20.803 2.253 14.257 1.00 0.34 H new ATOM 0 HD3 LYS A 113 19.335 1.305 14.389 1.00 0.34 H new ATOM 0 HE2 LYS A 113 20.589 -0.469 15.604 1.00 1.46 H new ATOM 0 HE3 LYS A 113 22.058 0.479 15.471 1.00 1.46 H new ATOM 0 HZ1 LYS A 113 21.010 0.781 17.615 1.00 2.22 H new ATOM 0 HZ2 LYS A 113 21.001 2.244 16.753 1.00 2.22 H new ATOM 0 HZ3 LYS A 113 19.579 1.326 16.882 1.00 2.22 H new ATOM 1750 N PHE A 114 19.525 -1.560 9.595 1.00 0.11 N ATOM 1751 CA PHE A 114 18.500 -2.292 8.891 1.00 0.10 C ATOM 1752 C PHE A 114 17.652 -3.154 9.786 1.00 0.12 C ATOM 1753 O PHE A 114 18.057 -3.587 10.868 1.00 0.15 O ATOM 1754 CB PHE A 114 19.112 -3.139 7.807 1.00 0.08 C ATOM 1755 CG PHE A 114 19.619 -2.324 6.682 1.00 0.07 C ATOM 1756 CD1 PHE A 114 20.893 -1.800 6.717 1.00 0.07 C ATOM 1757 CD2 PHE A 114 18.818 -2.084 5.586 1.00 0.05 C ATOM 1758 CE1 PHE A 114 21.361 -1.050 5.672 1.00 0.07 C ATOM 1759 CE2 PHE A 114 19.278 -1.336 4.541 1.00 0.05 C ATOM 1760 CZ PHE A 114 20.552 -0.817 4.579 1.00 0.06 C ATOM 0 H PHE A 114 20.421 -2.041 9.666 1.00 0.11 H new ATOM 0 HA PHE A 114 17.839 -1.541 8.457 1.00 0.10 H new ATOM 0 HB2 PHE A 114 19.929 -3.727 8.225 1.00 0.08 H new ATOM 0 HB3 PHE A 114 18.369 -3.845 7.436 1.00 0.08 H new ATOM 0 HD1 PHE A 114 21.525 -1.982 7.573 1.00 0.07 H new ATOM 0 HD2 PHE A 114 17.818 -2.491 5.554 1.00 0.05 H new ATOM 0 HE1 PHE A 114 22.360 -0.642 5.703 1.00 0.07 H new ATOM 0 HE2 PHE A 114 18.644 -1.152 3.686 1.00 0.05 H new ATOM 0 HZ PHE A 114 20.919 -0.227 3.752 1.00 0.06 H new ATOM 1770 N THR A 115 16.461 -3.375 9.295 1.00 0.12 N ATOM 1771 CA THR A 115 15.501 -4.249 9.897 1.00 0.13 C ATOM 1772 C THR A 115 15.025 -5.215 8.841 1.00 0.13 C ATOM 1773 O THR A 115 14.760 -4.816 7.705 1.00 0.13 O ATOM 1774 CB THR A 115 14.323 -3.444 10.477 1.00 0.15 C ATOM 1775 OG1 THR A 115 14.045 -2.319 9.633 1.00 0.15 O ATOM 1776 CG2 THR A 115 14.639 -2.959 11.882 1.00 0.20 C ATOM 0 H THR A 115 16.126 -2.935 8.438 1.00 0.12 H new ATOM 0 HA THR A 115 15.956 -4.796 10.723 1.00 0.13 H new ATOM 0 HB THR A 115 13.450 -4.095 10.523 1.00 0.15 H new ATOM 0 HG1 THR A 115 13.294 -1.810 10.003 1.00 0.15 H new ATOM 0 HG21 THR A 115 13.792 -2.393 12.271 1.00 0.20 H new ATOM 0 HG22 THR A 115 14.830 -3.816 12.528 1.00 0.20 H new ATOM 0 HG23 THR A 115 15.522 -2.320 11.856 1.00 0.20 H new ATOM 1784 N ASP A 116 15.003 -6.485 9.191 1.00 0.16 N ATOM 1785 CA ASP A 116 14.488 -7.520 8.318 1.00 0.18 C ATOM 1786 C ASP A 116 12.997 -7.366 8.210 1.00 0.17 C ATOM 1787 O ASP A 116 12.215 -8.155 8.749 1.00 0.23 O ATOM 1788 CB ASP A 116 14.853 -8.895 8.854 1.00 0.24 C ATOM 1789 CG ASP A 116 16.256 -9.318 8.469 1.00 0.80 C ATOM 1790 OD1 ASP A 116 17.180 -9.163 9.297 1.00 1.36 O ATOM 1791 OD2 ASP A 116 16.448 -9.805 7.332 1.00 0.88 O1- ATOM 0 H ASP A 116 15.342 -6.829 10.089 1.00 0.16 H new ATOM 0 HA ASP A 116 14.933 -7.422 7.328 1.00 0.18 H new ATOM 0 HB2 ASP A 116 14.764 -8.893 9.940 1.00 0.24 H new ATOM 0 HB3 ASP A 116 14.140 -9.629 8.477 1.00 0.24 H new ATOM 1796 N ILE A 117 12.632 -6.316 7.521 1.00 0.14 N ATOM 1797 CA ILE A 117 11.269 -5.878 7.443 1.00 0.13 C ATOM 1798 C ILE A 117 10.438 -6.790 6.609 1.00 0.15 C ATOM 1799 O ILE A 117 10.681 -6.952 5.421 1.00 0.18 O ATOM 1800 CB ILE A 117 11.164 -4.470 6.872 1.00 0.12 C ATOM 1801 CG1 ILE A 117 11.782 -3.509 7.860 1.00 0.12 C ATOM 1802 CG2 ILE A 117 9.709 -4.114 6.578 1.00 0.12 C ATOM 1803 CD1 ILE A 117 11.538 -2.059 7.528 1.00 0.12 C ATOM 0 H ILE A 117 13.284 -5.736 6.993 1.00 0.14 H new ATOM 0 HA ILE A 117 10.893 -5.886 8.466 1.00 0.13 H new ATOM 0 HB ILE A 117 11.701 -4.408 5.926 1.00 0.12 H new ATOM 0 HG12 ILE A 117 11.384 -3.717 8.853 1.00 0.12 H new ATOM 0 HG13 ILE A 117 12.857 -3.687 7.903 1.00 0.12 H new ATOM 0 HG21 ILE A 117 9.657 -3.104 6.171 1.00 0.12 H new ATOM 0 HG22 ILE A 117 9.301 -4.819 5.854 1.00 0.12 H new ATOM 0 HG23 ILE A 117 9.129 -4.164 7.499 1.00 0.12 H new ATOM 0 HD11 ILE A 117 12.011 -1.429 8.281 1.00 0.12 H new ATOM 0 HD12 ILE A 117 11.961 -1.834 6.549 1.00 0.12 H new ATOM 0 HD13 ILE A 117 10.466 -1.864 7.514 1.00 0.12 H new ATOM 1815 N LYS A 118 9.454 -7.378 7.234 1.00 0.14 N ATOM 1816 CA LYS A 118 8.496 -8.132 6.489 1.00 0.16 C ATOM 1817 C LYS A 118 7.250 -7.344 6.302 1.00 0.14 C ATOM 1818 O LYS A 118 6.509 -7.037 7.236 1.00 0.22 O ATOM 1819 CB LYS A 118 8.179 -9.460 7.121 1.00 0.23 C ATOM 1820 CG LYS A 118 9.417 -10.230 7.443 1.00 0.30 C ATOM 1821 CD LYS A 118 10.117 -10.804 6.216 1.00 0.38 C ATOM 1822 CE LYS A 118 11.075 -11.917 6.600 1.00 1.10 C ATOM 1823 NZ LYS A 118 11.847 -12.412 5.430 1.00 1.87 N1+ ATOM 0 H LYS A 118 9.300 -7.348 8.242 1.00 0.14 H new ATOM 0 HA LYS A 118 8.946 -8.341 5.519 1.00 0.16 H new ATOM 0 HB2 LYS A 118 7.603 -9.301 8.032 1.00 0.23 H new ATOM 0 HB3 LYS A 118 7.553 -10.044 6.446 1.00 0.23 H new ATOM 0 HG2 LYS A 118 10.111 -9.580 7.975 1.00 0.30 H new ATOM 0 HG3 LYS A 118 9.162 -11.045 8.120 1.00 0.30 H new ATOM 0 HD2 LYS A 118 9.374 -11.186 5.516 1.00 0.38 H new ATOM 0 HD3 LYS A 118 10.662 -10.013 5.702 1.00 0.38 H new ATOM 0 HE2 LYS A 118 11.764 -11.556 7.363 1.00 1.10 H new ATOM 0 HE3 LYS A 118 10.515 -12.742 7.041 1.00 1.10 H new ATOM 0 HZ1 LYS A 118 12.490 -13.171 5.734 1.00 1.87 H new ATOM 0 HZ2 LYS A 118 11.191 -12.780 4.712 1.00 1.87 H new ATOM 0 HZ3 LYS A 118 12.401 -11.631 5.024 1.00 1.87 H new ATOM 1837 N THR A 119 7.052 -7.026 5.070 1.00 0.10 N ATOM 1838 CA THR A 119 5.879 -6.334 4.631 1.00 0.09 C ATOM 1839 C THR A 119 4.801 -7.333 4.368 1.00 0.12 C ATOM 1840 O THR A 119 3.624 -6.996 4.235 1.00 0.16 O ATOM 1841 CB THR A 119 6.183 -5.612 3.335 1.00 0.07 C ATOM 1842 OG1 THR A 119 6.512 -6.561 2.317 1.00 0.08 O ATOM 1843 CG2 THR A 119 7.338 -4.695 3.534 1.00 0.06 C ATOM 0 H THR A 119 7.710 -7.241 4.321 1.00 0.10 H new ATOM 0 HA THR A 119 5.565 -5.622 5.394 1.00 0.09 H new ATOM 0 HB THR A 119 5.305 -5.041 3.032 1.00 0.07 H new ATOM 0 HG1 THR A 119 7.486 -6.652 2.257 1.00 0.08 H new ATOM 0 HG21 THR A 119 7.556 -4.176 2.600 1.00 0.06 H new ATOM 0 HG22 THR A 119 7.095 -3.965 4.306 1.00 0.06 H new ATOM 0 HG23 THR A 119 8.211 -5.271 3.841 1.00 0.06 H new ATOM 1851 N GLY A 120 5.227 -8.577 4.285 1.00 0.13 N ATOM 1852 CA GLY A 120 4.347 -9.594 3.802 1.00 0.14 C ATOM 1853 C GLY A 120 4.486 -9.780 2.302 1.00 0.13 C ATOM 1854 O GLY A 120 4.110 -10.817 1.755 1.00 0.18 O ATOM 0 H GLY A 120 6.162 -8.894 4.543 1.00 0.13 H new ATOM 0 HA2 GLY A 120 4.563 -10.535 4.308 1.00 0.14 H new ATOM 0 HA3 GLY A 120 3.317 -9.331 4.044 1.00 0.14 H new ATOM 1858 N ASN A 121 5.033 -8.768 1.633 1.00 0.10 N ATOM 1859 CA ASN A 121 5.331 -8.850 0.217 1.00 0.10 C ATOM 1860 C ASN A 121 6.700 -9.473 0.077 1.00 0.16 C ATOM 1861 O ASN A 121 7.696 -8.815 0.315 1.00 0.30 O ATOM 1862 CB ASN A 121 5.341 -7.446 -0.394 1.00 0.11 C ATOM 1863 CG ASN A 121 5.533 -7.438 -1.897 1.00 0.16 C ATOM 1864 OD1 ASN A 121 5.961 -8.423 -2.500 1.00 0.45 O ATOM 1865 ND2 ASN A 121 5.281 -6.290 -2.501 1.00 0.13 N ATOM 0 H ASN A 121 5.279 -7.875 2.060 1.00 0.10 H new ATOM 0 HA ASN A 121 4.579 -9.447 -0.299 1.00 0.10 H new ATOM 0 HB2 ASN A 121 4.402 -6.948 -0.154 1.00 0.11 H new ATOM 0 HB3 ASN A 121 6.138 -6.864 0.068 1.00 0.11 H new ATOM 0 HD21 ASN A 121 5.440 -6.196 -3.504 1.00 0.13 H new ATOM 0 HD22 ASN A 121 4.927 -5.498 -1.964 1.00 0.13 H new ATOM 1872 N THR A 122 6.740 -10.742 -0.283 1.00 0.15 N ATOM 1873 CA THR A 122 7.983 -11.485 -0.339 1.00 0.16 C ATOM 1874 C THR A 122 8.961 -10.906 -1.330 1.00 0.12 C ATOM 1875 O THR A 122 10.061 -10.565 -0.962 1.00 0.11 O ATOM 1876 CB THR A 122 7.736 -12.937 -0.703 1.00 0.20 C ATOM 1877 OG1 THR A 122 6.788 -13.526 0.201 1.00 0.26 O ATOM 1878 CG2 THR A 122 9.041 -13.707 -0.679 1.00 0.19 C ATOM 0 H THR A 122 5.916 -11.284 -0.543 1.00 0.15 H new ATOM 0 HA THR A 122 8.415 -11.415 0.659 1.00 0.16 H new ATOM 0 HB THR A 122 7.322 -12.981 -1.710 1.00 0.20 H new ATOM 0 HG1 THR A 122 6.637 -14.462 -0.047 1.00 0.26 H new ATOM 0 HG21 THR A 122 8.854 -14.748 -0.942 1.00 0.19 H new ATOM 0 HG22 THR A 122 9.734 -13.270 -1.398 1.00 0.19 H new ATOM 0 HG23 THR A 122 9.475 -13.657 0.320 1.00 0.19 H new ATOM 1886 N GLU A 123 8.567 -10.806 -2.579 1.00 0.14 N ATOM 1887 CA GLU A 123 9.441 -10.289 -3.611 1.00 0.14 C ATOM 1888 C GLU A 123 9.961 -8.933 -3.220 1.00 0.11 C ATOM 1889 O GLU A 123 11.101 -8.601 -3.504 1.00 0.15 O ATOM 1890 CB GLU A 123 8.695 -10.192 -4.924 1.00 0.21 C ATOM 1891 CG GLU A 123 7.896 -11.435 -5.239 1.00 0.30 C ATOM 1892 CD GLU A 123 8.013 -11.848 -6.693 1.00 1.16 C ATOM 1893 OE1 GLU A 123 9.019 -12.489 -7.052 1.00 1.66 O ATOM 1894 OE2 GLU A 123 7.103 -11.531 -7.486 1.00 1.46 O1- ATOM 0 H GLU A 123 7.640 -11.078 -2.908 1.00 0.14 H new ATOM 0 HA GLU A 123 10.283 -10.971 -3.729 1.00 0.14 H new ATOM 0 HB2 GLU A 123 8.024 -9.333 -4.893 1.00 0.21 H new ATOM 0 HB3 GLU A 123 9.408 -10.011 -5.729 1.00 0.21 H new ATOM 0 HG2 GLU A 123 8.237 -12.253 -4.604 1.00 0.30 H new ATOM 0 HG3 GLU A 123 6.848 -11.260 -4.998 1.00 0.30 H new ATOM 1901 N LEU A 124 9.134 -8.181 -2.519 1.00 0.09 N ATOM 1902 CA LEU A 124 9.545 -6.903 -2.005 1.00 0.07 C ATOM 1903 C LEU A 124 10.488 -7.121 -0.862 1.00 0.08 C ATOM 1904 O LEU A 124 11.509 -6.480 -0.771 1.00 0.08 O ATOM 1905 CB LEU A 124 8.359 -6.129 -1.495 1.00 0.07 C ATOM 1906 CG LEU A 124 8.725 -5.023 -0.538 1.00 0.05 C ATOM 1907 CD1 LEU A 124 9.446 -3.942 -1.279 1.00 0.04 C ATOM 1908 CD2 LEU A 124 7.504 -4.497 0.159 1.00 0.05 C ATOM 0 H LEU A 124 8.173 -8.440 -2.296 1.00 0.09 H new ATOM 0 HA LEU A 124 10.024 -6.342 -2.808 1.00 0.07 H new ATOM 0 HB2 LEU A 124 7.823 -5.702 -2.343 1.00 0.07 H new ATOM 0 HB3 LEU A 124 7.674 -6.816 -0.998 1.00 0.07 H new ATOM 0 HG LEU A 124 9.389 -5.416 0.232 1.00 0.05 H new ATOM 0 HD11 LEU A 124 9.711 -3.142 -0.588 1.00 0.04 H new ATOM 0 HD12 LEU A 124 10.352 -4.350 -1.727 1.00 0.04 H new ATOM 0 HD13 LEU A 124 8.801 -3.546 -2.063 1.00 0.04 H new ATOM 0 HD21 LEU A 124 7.791 -3.700 0.845 1.00 0.05 H new ATOM 0 HD22 LEU A 124 6.804 -4.106 -0.579 1.00 0.05 H new ATOM 0 HD23 LEU A 124 7.029 -5.303 0.718 1.00 0.05 H new ATOM 1920 N ASP A 125 10.115 -8.047 -0.005 1.00 0.09 N ATOM 1921 CA ASP A 125 10.889 -8.396 1.167 1.00 0.12 C ATOM 1922 C ASP A 125 12.271 -8.810 0.740 1.00 0.12 C ATOM 1923 O ASP A 125 13.261 -8.565 1.424 1.00 0.19 O ATOM 1924 CB ASP A 125 10.191 -9.526 1.934 1.00 0.21 C ATOM 1925 CG ASP A 125 10.113 -9.226 3.389 1.00 0.97 C ATOM 1926 OD1 ASP A 125 11.172 -9.290 4.054 1.00 1.49 O ATOM 1927 OD2 ASP A 125 9.003 -8.927 3.869 1.00 1.21 O1- ATOM 0 H ASP A 125 9.254 -8.586 -0.104 1.00 0.09 H new ATOM 0 HA ASP A 125 10.969 -7.535 1.830 1.00 0.12 H new ATOM 0 HB2 ASP A 125 9.187 -9.671 1.536 1.00 0.21 H new ATOM 0 HB3 ASP A 125 10.732 -10.460 1.782 1.00 0.21 H new ATOM 1932 N LYS A 126 12.320 -9.409 -0.430 1.00 0.10 N ATOM 1933 CA LYS A 126 13.551 -9.821 -1.028 1.00 0.10 C ATOM 1934 C LYS A 126 14.292 -8.663 -1.657 1.00 0.11 C ATOM 1935 O LYS A 126 15.503 -8.719 -1.801 1.00 0.17 O ATOM 1936 CB LYS A 126 13.253 -10.910 -2.050 1.00 0.11 C ATOM 1937 CG LYS A 126 12.382 -12.017 -1.483 1.00 0.13 C ATOM 1938 CD LYS A 126 12.388 -13.269 -2.350 1.00 0.18 C ATOM 1939 CE LYS A 126 13.786 -13.846 -2.532 1.00 0.62 C ATOM 1940 NZ LYS A 126 14.380 -14.304 -1.248 1.00 1.29 N1+ ATOM 0 H LYS A 126 11.494 -9.621 -0.990 1.00 0.10 H new ATOM 0 HA LYS A 126 14.208 -10.214 -0.253 1.00 0.10 H new ATOM 0 HB2 LYS A 126 12.756 -10.467 -2.913 1.00 0.11 H new ATOM 0 HB3 LYS A 126 14.191 -11.336 -2.406 1.00 0.11 H new ATOM 0 HG2 LYS A 126 12.730 -12.271 -0.482 1.00 0.13 H new ATOM 0 HG3 LYS A 126 11.359 -11.654 -1.382 1.00 0.13 H new ATOM 0 HD2 LYS A 126 11.743 -14.023 -1.898 1.00 0.18 H new ATOM 0 HD3 LYS A 126 11.966 -13.033 -3.327 1.00 0.18 H new ATOM 0 HE2 LYS A 126 13.743 -14.683 -3.229 1.00 0.62 H new ATOM 0 HE3 LYS A 126 14.432 -13.091 -2.980 1.00 0.62 H new ATOM 0 HZ1 LYS A 126 15.294 -14.765 -1.433 1.00 1.29 H new ATOM 0 HZ2 LYS A 126 14.525 -13.487 -0.622 1.00 1.29 H new ATOM 0 HZ3 LYS A 126 13.737 -14.981 -0.790 1.00 1.29 H new ATOM 1954 N VAL A 127 13.594 -7.596 -1.989 1.00 0.08 N ATOM 1955 CA VAL A 127 14.248 -6.449 -2.563 1.00 0.07 C ATOM 1956 C VAL A 127 14.613 -5.485 -1.451 1.00 0.06 C ATOM 1957 O VAL A 127 15.608 -4.765 -1.523 1.00 0.06 O ATOM 1958 CB VAL A 127 13.372 -5.736 -3.595 1.00 0.07 C ATOM 1959 CG1 VAL A 127 14.148 -4.604 -4.231 1.00 0.07 C ATOM 1960 CG2 VAL A 127 12.892 -6.702 -4.662 1.00 0.09 C ATOM 0 H VAL A 127 12.585 -7.504 -1.871 1.00 0.08 H new ATOM 0 HA VAL A 127 15.141 -6.796 -3.083 1.00 0.07 H new ATOM 0 HB VAL A 127 12.497 -5.333 -3.084 1.00 0.07 H new ATOM 0 HG11 VAL A 127 13.520 -4.100 -4.965 1.00 0.07 H new ATOM 0 HG12 VAL A 127 14.450 -3.893 -3.462 1.00 0.07 H new ATOM 0 HG13 VAL A 127 15.034 -5.003 -4.725 1.00 0.07 H new ATOM 0 HG21 VAL A 127 12.272 -6.169 -5.383 1.00 0.09 H new ATOM 0 HG22 VAL A 127 13.751 -7.135 -5.174 1.00 0.09 H new ATOM 0 HG23 VAL A 127 12.308 -7.496 -4.197 1.00 0.09 H new ATOM 1970 N LEU A 128 13.800 -5.510 -0.409 1.00 0.06 N ATOM 1971 CA LEU A 128 14.086 -4.801 0.818 1.00 0.05 C ATOM 1972 C LEU A 128 15.439 -5.264 1.272 1.00 0.06 C ATOM 1973 O LEU A 128 16.356 -4.502 1.559 1.00 0.06 O ATOM 1974 CB LEU A 128 13.089 -5.203 1.892 1.00 0.06 C ATOM 1975 CG LEU A 128 11.644 -4.892 1.586 1.00 0.06 C ATOM 1976 CD1 LEU A 128 10.772 -5.211 2.788 1.00 0.07 C ATOM 1977 CD2 LEU A 128 11.496 -3.443 1.180 1.00 0.06 C ATOM 0 H LEU A 128 12.920 -6.026 -0.394 1.00 0.06 H new ATOM 0 HA LEU A 128 14.038 -3.724 0.655 1.00 0.05 H new ATOM 0 HB2 LEU A 128 13.183 -6.275 2.067 1.00 0.06 H new ATOM 0 HB3 LEU A 128 13.361 -4.703 2.821 1.00 0.06 H new ATOM 0 HG LEU A 128 11.317 -5.514 0.753 1.00 0.06 H new ATOM 0 HD11 LEU A 128 9.732 -4.982 2.554 1.00 0.07 H new ATOM 0 HD12 LEU A 128 10.864 -6.269 3.034 1.00 0.07 H new ATOM 0 HD13 LEU A 128 11.093 -4.611 3.640 1.00 0.07 H new ATOM 0 HD21 LEU A 128 10.449 -3.231 0.962 1.00 0.06 H new ATOM 0 HD22 LEU A 128 11.834 -2.801 1.993 1.00 0.06 H new ATOM 0 HD23 LEU A 128 12.098 -3.251 0.292 1.00 0.06 H new ATOM 1989 N ASP A 129 15.505 -6.577 1.258 1.00 0.06 N ATOM 1990 CA ASP A 129 16.659 -7.360 1.651 1.00 0.07 C ATOM 1991 C ASP A 129 17.860 -7.017 0.819 1.00 0.07 C ATOM 1992 O ASP A 129 18.973 -6.877 1.308 1.00 0.07 O ATOM 1993 CB ASP A 129 16.336 -8.792 1.337 1.00 0.10 C ATOM 1994 CG ASP A 129 16.748 -9.770 2.414 1.00 0.17 C ATOM 1995 OD1 ASP A 129 17.956 -9.853 2.715 1.00 0.37 O ATOM 1996 OD2 ASP A 129 15.871 -10.483 2.941 1.00 0.35 O1- ATOM 0 H ASP A 129 14.720 -7.156 0.959 1.00 0.06 H new ATOM 0 HA ASP A 129 16.874 -7.172 2.703 1.00 0.07 H new ATOM 0 HB2 ASP A 129 15.263 -8.883 1.171 1.00 0.10 H new ATOM 0 HB3 ASP A 129 16.828 -9.068 0.404 1.00 0.10 H new ATOM 2001 N LYS A 130 17.585 -6.963 -0.461 1.00 0.07 N ATOM 2002 CA LYS A 130 18.534 -6.629 -1.490 1.00 0.07 C ATOM 2003 C LYS A 130 19.290 -5.402 -1.108 1.00 0.06 C ATOM 2004 O LYS A 130 20.502 -5.325 -1.233 1.00 0.07 O ATOM 2005 CB LYS A 130 17.709 -6.391 -2.727 1.00 0.08 C ATOM 2006 CG LYS A 130 17.854 -7.403 -3.842 1.00 0.12 C ATOM 2007 CD LYS A 130 17.909 -8.797 -3.326 1.00 0.15 C ATOM 2008 CE LYS A 130 19.326 -9.358 -3.277 1.00 1.00 C ATOM 2009 NZ LYS A 130 19.947 -9.421 -4.627 1.00 1.66 N1+ ATOM 0 H LYS A 130 16.654 -7.159 -0.828 1.00 0.07 H new ATOM 0 HA LYS A 130 19.271 -7.417 -1.648 1.00 0.07 H new ATOM 0 HB2 LYS A 130 16.660 -6.354 -2.435 1.00 0.08 H new ATOM 0 HB3 LYS A 130 17.965 -5.408 -3.123 1.00 0.08 H new ATOM 0 HG2 LYS A 130 17.016 -7.305 -4.532 1.00 0.12 H new ATOM 0 HG3 LYS A 130 18.760 -7.190 -4.409 1.00 0.12 H new ATOM 0 HD2 LYS A 130 17.478 -8.826 -2.325 1.00 0.15 H new ATOM 0 HD3 LYS A 130 17.292 -9.437 -3.957 1.00 0.15 H new ATOM 0 HE2 LYS A 130 19.939 -8.737 -2.624 1.00 1.00 H new ATOM 0 HE3 LYS A 130 19.306 -10.356 -2.840 1.00 1.00 H new ATOM 0 HZ1 LYS A 130 20.647 -10.190 -4.652 1.00 1.66 H new ATOM 0 HZ2 LYS A 130 19.211 -9.600 -5.340 1.00 1.66 H new ATOM 0 HZ3 LYS A 130 20.418 -8.517 -4.835 1.00 1.66 H new ATOM 2023 N ALA A 131 18.557 -4.472 -0.589 1.00 0.06 N ATOM 2024 CA ALA A 131 19.131 -3.227 -0.152 1.00 0.05 C ATOM 2025 C ALA A 131 19.985 -3.467 1.058 1.00 0.05 C ATOM 2026 O ALA A 131 21.144 -3.094 1.101 1.00 0.05 O ATOM 2027 CB ALA A 131 18.050 -2.250 0.184 1.00 0.04 C ATOM 0 H ALA A 131 17.549 -4.546 -0.453 1.00 0.06 H new ATOM 0 HA ALA A 131 19.742 -2.816 -0.956 1.00 0.05 H new ATOM 0 HB1 ALA A 131 18.497 -1.312 0.513 1.00 0.04 H new ATOM 0 HB2 ALA A 131 17.436 -2.069 -0.698 1.00 0.04 H new ATOM 0 HB3 ALA A 131 17.428 -2.656 0.982 1.00 0.04 H new ATOM 2033 N ILE A 132 19.400 -4.100 2.043 1.00 0.05 N ATOM 2034 CA ILE A 132 20.117 -4.488 3.233 1.00 0.06 C ATOM 2035 C ILE A 132 21.370 -5.265 2.895 1.00 0.08 C ATOM 2036 O ILE A 132 22.319 -5.307 3.675 1.00 0.09 O ATOM 2037 CB ILE A 132 19.235 -5.350 4.123 1.00 0.07 C ATOM 2038 CG1 ILE A 132 17.821 -4.794 4.048 1.00 0.06 C ATOM 2039 CG2 ILE A 132 19.758 -5.390 5.550 1.00 0.08 C ATOM 2040 CD1 ILE A 132 16.886 -5.215 5.158 1.00 0.07 C ATOM 0 H ILE A 132 18.414 -4.361 2.044 1.00 0.05 H new ATOM 0 HA ILE A 132 20.397 -3.573 3.755 1.00 0.06 H new ATOM 0 HB ILE A 132 19.241 -6.383 3.776 1.00 0.07 H new ATOM 0 HG12 ILE A 132 17.879 -3.706 4.042 1.00 0.06 H new ATOM 0 HG13 ILE A 132 17.383 -5.095 3.096 1.00 0.06 H new ATOM 0 HG21 ILE A 132 19.105 -6.014 6.160 1.00 0.08 H new ATOM 0 HG22 ILE A 132 20.766 -5.805 5.557 1.00 0.08 H new ATOM 0 HG23 ILE A 132 19.779 -4.380 5.958 1.00 0.08 H new ATOM 0 HD11 ILE A 132 15.908 -4.760 5.002 1.00 0.07 H new ATOM 0 HD12 ILE A 132 16.785 -6.300 5.157 1.00 0.07 H new ATOM 0 HD13 ILE A 132 17.289 -4.889 6.117 1.00 0.07 H new ATOM 2052 N SER A 133 21.377 -5.871 1.721 1.00 0.08 N ATOM 2053 CA SER A 133 22.500 -6.649 1.312 1.00 0.10 C ATOM 2054 C SER A 133 23.630 -5.715 0.875 1.00 0.08 C ATOM 2055 O SER A 133 24.801 -6.093 0.830 1.00 0.11 O ATOM 2056 CB SER A 133 22.080 -7.595 0.191 1.00 0.13 C ATOM 2057 OG SER A 133 22.388 -7.064 -1.086 1.00 1.33 O ATOM 0 H SER A 133 20.613 -5.831 1.046 1.00 0.08 H new ATOM 0 HA SER A 133 22.866 -7.255 2.141 1.00 0.10 H new ATOM 0 HB2 SER A 133 22.582 -8.554 0.317 1.00 0.13 H new ATOM 0 HB3 SER A 133 21.009 -7.785 0.257 1.00 0.13 H new ATOM 0 HG SER A 133 21.626 -6.544 -1.417 1.00 1.33 H new ATOM 2063 N LEU A 134 23.241 -4.485 0.558 1.00 0.08 N ATOM 2064 CA LEU A 134 24.169 -3.403 0.271 1.00 0.08 C ATOM 2065 C LEU A 134 24.690 -2.841 1.583 1.00 0.08 C ATOM 2066 O LEU A 134 25.772 -2.255 1.639 1.00 0.10 O ATOM 2067 CB LEU A 134 23.473 -2.286 -0.496 1.00 0.07 C ATOM 2068 CG LEU A 134 23.293 -2.429 -2.001 1.00 0.08 C ATOM 2069 CD1 LEU A 134 22.664 -3.743 -2.390 1.00 0.08 C ATOM 2070 CD2 LEU A 134 22.453 -1.270 -2.474 1.00 0.08 C ATOM 0 H LEU A 134 22.261 -4.210 0.493 1.00 0.08 H new ATOM 0 HA LEU A 134 24.987 -3.793 -0.335 1.00 0.08 H new ATOM 0 HB2 LEU A 134 22.484 -2.151 -0.057 1.00 0.07 H new ATOM 0 HB3 LEU A 134 24.030 -1.366 -0.316 1.00 0.07 H new ATOM 0 HG LEU A 134 24.273 -2.419 -2.478 1.00 0.08 H new ATOM 0 HD11 LEU A 134 22.560 -3.790 -3.474 1.00 0.08 H new ATOM 0 HD12 LEU A 134 23.296 -4.564 -2.050 1.00 0.08 H new ATOM 0 HD13 LEU A 134 21.681 -3.827 -1.927 1.00 0.08 H new ATOM 0 HD21 LEU A 134 22.305 -1.343 -3.551 1.00 0.08 H new ATOM 0 HD22 LEU A 134 21.485 -1.293 -1.973 1.00 0.08 H new ATOM 0 HD23 LEU A 134 22.960 -0.334 -2.240 1.00 0.08 H new ATOM 2082 N GLY A 135 23.884 -2.996 2.633 1.00 0.09 N ATOM 2083 CA GLY A 135 24.286 -2.571 3.956 1.00 0.12 C ATOM 2084 C GLY A 135 25.110 -3.623 4.668 1.00 0.27 C ATOM 2085 O GLY A 135 25.825 -4.385 3.984 1.00 1.05 O ATOM 2086 OXT GLY A 135 25.040 -3.701 5.912 1.00 1.19 O ATOM 0 H GLY A 135 22.954 -3.412 2.585 1.00 0.09 H new ATOM 0 HA2 GLY A 135 24.863 -1.649 3.880 1.00 0.12 H new ATOM 0 HA3 GLY A 135 23.399 -2.344 4.548 1.00 0.12 H new TER 2090 GLY A 135