USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 707 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 61 GLN : amide:sc= -1.05 K(o=-1,f=-5.9!) USER MOD Set 1.2: A 64 GLN : amide:sc= 0 X(o=-1,f=-1) USER MOD Set 2.1: A 16 THR OG1 : rot -84:sc= 1.02 USER MOD Set 2.2: A 17 GLN : amide:sc= 0.408 K(o=1.4,f=-4.2!) USER MOD Set 3.1: A 6 HIS : no HE2:sc= -3.06 K(o=-4.3,f=-6.9!) USER MOD Set 3.2: A 73 MET CE :methyl -116:sc= -1.26 (180deg=-2.18!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.0555 (180deg=-0.214) USER MOD Single : A 3 HIS : no HD1:sc= -0.0602 X(o=-0.06,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HE2:sc= 0.781 K(o=0.78,f=-8.6!) USER MOD Single : A 8 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-1.2) USER MOD Single : A 9 MET CE :methyl 158:sc= -0.0932 (180deg=-0.516) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.34 USER MOD Single : A 15 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.0089) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -3.01! K(o=-3!,f=-0.12) USER MOD Single : A 33 ASN : amide:sc= -0.354 K(o=-0.35,f=-1.2) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot -99:sc= 1.6 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 149:sc= 0 (180deg=-0.221) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -2.37! USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= -0.0676 (180deg=-0.438) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 CYS SG : rot 95:sc= -1.29 USER MOD Single : A 68 GLN : amide:sc= 0.283 K(o=0.28,f=-0.61) USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.00424 USER MOD Single : A 77 SER OG : rot 180:sc=-0.00537 USER MOD Single : A 81 HIS : no HD1:sc= -0.815 K(o=-0.81,f=-4.4!) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 84 GLN : amide:sc= -0.472 K(o=-0.47,f=-4.2!) USER MOD Single : A 85 HIS : no HE2:sc= 0.848 K(o=0.85,f=-4.3!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0.0464 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.156 5.664 2.902 1.00 73.22 N ATOM 2 CA MET A 1 3.896 4.762 1.994 1.00 15.13 C ATOM 3 C MET A 1 3.544 3.303 2.297 1.00 45.32 C ATOM 4 O MET A 1 4.184 2.649 3.128 1.00 32.32 O ATOM 5 CB MET A 1 5.414 5.007 2.104 1.00 22.50 C ATOM 6 CG MET A 1 5.964 4.924 3.526 1.00 70.23 C ATOM 7 SD MET A 1 7.721 5.323 3.621 1.00 24.24 S ATOM 8 CE MET A 1 8.017 5.132 5.380 1.00 64.32 C ATOM 0 H1 MET A 1 3.513 6.635 2.794 1.00 73.22 H new ATOM 0 H2 MET A 1 2.143 5.639 2.667 1.00 73.22 H new ATOM 0 H3 MET A 1 3.291 5.354 3.885 1.00 73.22 H new ATOM 0 HA MET A 1 3.600 4.976 0.967 1.00 15.13 H new ATOM 0 HB2 MET A 1 5.934 4.277 1.483 1.00 22.50 H new ATOM 0 HB3 MET A 1 5.641 5.992 1.696 1.00 22.50 H new ATOM 0 HG2 MET A 1 5.406 5.607 4.167 1.00 70.23 H new ATOM 0 HG3 MET A 1 5.803 3.919 3.915 1.00 70.23 H new ATOM 0 HE1 MET A 1 9.063 5.346 5.598 1.00 64.32 H new ATOM 0 HE2 MET A 1 7.382 5.824 5.933 1.00 64.32 H new ATOM 0 HE3 MET A 1 7.785 4.110 5.679 1.00 64.32 H new ATOM 20 N ALA A 2 2.497 2.810 1.635 1.00 54.21 N ATOM 21 CA ALA A 2 2.007 1.449 1.849 1.00 14.23 C ATOM 22 C ALA A 2 0.881 1.114 0.871 1.00 44.12 C ATOM 23 O ALA A 2 -0.199 1.707 0.929 1.00 53.24 O ATOM 24 CB ALA A 2 1.520 1.266 3.287 1.00 73.44 C ATOM 0 H ALA A 2 1.969 3.338 0.941 1.00 54.21 H new ATOM 0 HA ALA A 2 2.838 0.766 1.671 1.00 14.23 H new ATOM 0 HB1 ALA A 2 1.160 0.246 3.422 1.00 73.44 H new ATOM 0 HB2 ALA A 2 2.343 1.455 3.977 1.00 73.44 H new ATOM 0 HB3 ALA A 2 0.709 1.966 3.489 1.00 73.44 H new ATOM 30 N HIS A 3 1.146 0.177 -0.034 1.00 41.44 N ATOM 31 CA HIS A 3 0.129 -0.341 -0.953 1.00 1.43 C ATOM 32 C HIS A 3 -0.040 -1.841 -0.738 1.00 4.31 C ATOM 33 O HIS A 3 0.944 -2.563 -0.576 1.00 2.31 O ATOM 34 CB HIS A 3 0.504 -0.048 -2.413 1.00 5.12 C ATOM 35 CG HIS A 3 0.388 1.401 -2.786 1.00 63.14 C ATOM 36 ND1 HIS A 3 1.129 1.981 -3.790 1.00 24.54 N ATOM 37 CD2 HIS A 3 -0.412 2.380 -2.300 1.00 72.24 C ATOM 38 CE1 HIS A 3 0.790 3.251 -3.906 1.00 45.21 C ATOM 39 NE2 HIS A 3 -0.144 3.517 -3.014 1.00 10.03 N ATOM 0 H HIS A 3 2.067 -0.245 -0.154 1.00 41.44 H new ATOM 0 HA HIS A 3 -0.816 0.161 -0.744 1.00 1.43 H new ATOM 0 HB2 HIS A 3 1.528 -0.379 -2.589 1.00 5.12 H new ATOM 0 HB3 HIS A 3 -0.138 -0.636 -3.069 1.00 5.12 H new ATOM 0 HD2 HIS A 3 -1.129 2.282 -1.498 1.00 72.24 H new ATOM 0 HE1 HIS A 3 1.207 3.954 -4.612 1.00 45.21 H new ATOM 0 HE2 HIS A 3 -0.594 4.422 -2.878 1.00 10.03 H new ATOM 48 N HIS A 4 -1.287 -2.307 -0.715 1.00 40.34 N ATOM 49 CA HIS A 4 -1.574 -3.716 -0.448 1.00 51.01 C ATOM 50 C HIS A 4 -2.541 -4.295 -1.482 1.00 53.23 C ATOM 51 O HIS A 4 -3.761 -4.191 -1.336 1.00 0.34 O ATOM 52 CB HIS A 4 -2.154 -3.889 0.969 1.00 50.20 C ATOM 53 CG HIS A 4 -1.256 -3.387 2.067 1.00 33.32 C ATOM 54 ND1 HIS A 4 -0.114 -4.042 2.466 1.00 30.31 N ATOM 55 CD2 HIS A 4 -1.346 -2.289 2.857 1.00 2.31 C ATOM 56 CE1 HIS A 4 0.456 -3.374 3.451 1.00 13.25 C ATOM 57 NE2 HIS A 4 -0.270 -2.305 3.709 1.00 22.43 N ATOM 0 H HIS A 4 -2.113 -1.732 -0.878 1.00 40.34 H new ATOM 0 HA HIS A 4 -0.634 -4.263 -0.519 1.00 51.01 H new ATOM 0 HB2 HIS A 4 -3.108 -3.364 1.026 1.00 50.20 H new ATOM 0 HB3 HIS A 4 -2.361 -4.946 1.138 1.00 50.20 H new ATOM 0 HD2 HIS A 4 -2.122 -1.539 2.822 1.00 2.31 H new ATOM 0 HE1 HIS A 4 1.365 -3.656 3.961 1.00 13.25 H new ATOM 0 HE2 HIS A 4 -0.066 -1.606 4.423 1.00 22.43 H new ATOM 66 N HIS A 5 -1.985 -4.882 -2.541 1.00 52.40 N ATOM 67 CA HIS A 5 -2.776 -5.614 -3.534 1.00 51.23 C ATOM 68 C HIS A 5 -2.176 -6.999 -3.769 1.00 25.42 C ATOM 69 O HIS A 5 -1.151 -7.139 -4.440 1.00 52.12 O ATOM 70 CB HIS A 5 -2.859 -4.836 -4.857 1.00 11.32 C ATOM 71 CG HIS A 5 -3.725 -3.614 -4.785 1.00 24.41 C ATOM 72 ND1 HIS A 5 -3.274 -2.348 -5.087 1.00 1.43 N ATOM 73 CD2 HIS A 5 -5.030 -3.475 -4.455 1.00 64.02 C ATOM 74 CE1 HIS A 5 -4.263 -1.486 -4.944 1.00 33.02 C ATOM 75 NE2 HIS A 5 -5.341 -2.144 -4.563 1.00 22.00 N ATOM 0 H HIS A 5 -0.984 -4.865 -2.735 1.00 52.40 H new ATOM 0 HA HIS A 5 -3.788 -5.728 -3.146 1.00 51.23 H new ATOM 0 HB2 HIS A 5 -1.854 -4.541 -5.158 1.00 11.32 H new ATOM 0 HB3 HIS A 5 -3.243 -5.497 -5.634 1.00 11.32 H new ATOM 0 HD2 HIS A 5 -5.703 -4.267 -4.161 1.00 64.02 H new ATOM 0 HE1 HIS A 5 -4.200 -0.421 -5.111 1.00 33.02 H new ATOM 0 HE2 HIS A 5 -6.255 -1.731 -4.379 1.00 22.00 H new ATOM 84 N HIS A 6 -2.805 -8.011 -3.180 1.00 34.21 N ATOM 85 CA HIS A 6 -2.364 -9.398 -3.311 1.00 74.21 C ATOM 86 C HIS A 6 -3.462 -10.337 -2.825 1.00 71.31 C ATOM 87 O HIS A 6 -4.252 -9.966 -1.957 1.00 5.52 O ATOM 88 CB HIS A 6 -1.071 -9.640 -2.515 1.00 64.32 C ATOM 89 CG HIS A 6 -1.173 -9.273 -1.062 1.00 13.35 C ATOM 90 ND1 HIS A 6 -0.944 -7.997 -0.591 1.00 0.10 N ATOM 91 CD2 HIS A 6 -1.479 -10.020 0.027 1.00 40.24 C ATOM 92 CE1 HIS A 6 -1.102 -7.977 0.721 1.00 55.12 C ATOM 93 NE2 HIS A 6 -1.427 -9.187 1.120 1.00 52.24 N ATOM 0 H HIS A 6 -3.635 -7.894 -2.598 1.00 34.21 H new ATOM 0 HA HIS A 6 -2.158 -9.598 -4.363 1.00 74.21 H new ATOM 0 HB2 HIS A 6 -0.798 -10.692 -2.596 1.00 64.32 H new ATOM 0 HB3 HIS A 6 -0.264 -9.065 -2.969 1.00 64.32 H new ATOM 0 HD1 HIS A 6 -0.692 -7.193 -1.166 1.00 0.10 H new ATOM 0 HD2 HIS A 6 -1.719 -11.073 0.035 1.00 40.24 H new ATOM 0 HE1 HIS A 6 -0.984 -7.113 1.358 1.00 55.12 H new ATOM 102 N HIS A 7 -3.519 -11.541 -3.390 1.00 31.13 N ATOM 103 CA HIS A 7 -4.525 -12.529 -2.995 1.00 13.43 C ATOM 104 C HIS A 7 -4.187 -13.923 -3.521 1.00 13.23 C ATOM 105 O HIS A 7 -3.896 -14.098 -4.706 1.00 24.42 O ATOM 106 CB HIS A 7 -5.922 -12.114 -3.490 1.00 45.10 C ATOM 107 CG HIS A 7 -5.987 -11.780 -4.953 1.00 22.34 C ATOM 108 ND1 HIS A 7 -6.089 -12.731 -5.945 1.00 12.53 N ATOM 109 CD2 HIS A 7 -5.973 -10.582 -5.586 1.00 21.41 C ATOM 110 CE1 HIS A 7 -6.137 -12.132 -7.121 1.00 22.12 C ATOM 111 NE2 HIS A 7 -6.068 -10.828 -6.933 1.00 52.52 N ATOM 0 H HIS A 7 -2.882 -11.857 -4.122 1.00 31.13 H new ATOM 0 HA HIS A 7 -4.526 -12.566 -1.906 1.00 13.43 H new ATOM 0 HB2 HIS A 7 -6.623 -12.923 -3.283 1.00 45.10 H new ATOM 0 HB3 HIS A 7 -6.255 -11.249 -2.917 1.00 45.10 H new ATOM 0 HD1 HIS A 7 -6.122 -13.739 -5.795 1.00 12.53 H new ATOM 0 HD2 HIS A 7 -5.900 -9.612 -5.117 1.00 21.41 H new ATOM 0 HE1 HIS A 7 -6.219 -12.627 -8.077 1.00 22.12 H new ATOM 120 N HIS A 8 -4.214 -14.907 -2.627 1.00 52.21 N ATOM 121 CA HIS A 8 -4.083 -16.312 -3.010 1.00 10.20 C ATOM 122 C HIS A 8 -5.454 -16.979 -2.898 1.00 44.12 C ATOM 123 O HIS A 8 -6.074 -16.953 -1.834 1.00 2.14 O ATOM 124 CB HIS A 8 -3.068 -17.037 -2.111 1.00 2.10 C ATOM 125 CG HIS A 8 -1.710 -16.397 -2.073 1.00 65.54 C ATOM 126 ND1 HIS A 8 -0.700 -16.696 -2.964 1.00 13.43 N ATOM 127 CD2 HIS A 8 -1.195 -15.476 -1.227 1.00 64.25 C ATOM 128 CE1 HIS A 8 0.375 -15.986 -2.661 1.00 71.44 C ATOM 129 NE2 HIS A 8 0.098 -15.238 -1.612 1.00 64.15 N ATOM 0 H HIS A 8 -4.326 -14.757 -1.624 1.00 52.21 H new ATOM 0 HA HIS A 8 -3.719 -16.371 -4.036 1.00 10.20 H new ATOM 0 HB2 HIS A 8 -3.465 -17.081 -1.097 1.00 2.10 H new ATOM 0 HB3 HIS A 8 -2.963 -18.065 -2.457 1.00 2.10 H new ATOM 0 HD2 HIS A 8 -1.710 -15.012 -0.398 1.00 64.25 H new ATOM 0 HE1 HIS A 8 1.319 -16.015 -3.185 1.00 71.44 H new ATOM 0 HE2 HIS A 8 0.741 -14.588 -1.160 1.00 64.15 H new ATOM 138 N MET A 9 -5.926 -17.562 -3.993 1.00 12.25 N ATOM 139 CA MET A 9 -7.278 -18.113 -4.054 1.00 2.23 C ATOM 140 C MET A 9 -7.306 -19.583 -3.641 1.00 52.43 C ATOM 141 O MET A 9 -6.788 -20.449 -4.349 1.00 54.21 O ATOM 142 CB MET A 9 -7.858 -17.957 -5.470 1.00 51.52 C ATOM 143 CG MET A 9 -8.028 -16.508 -5.915 1.00 71.54 C ATOM 144 SD MET A 9 -6.460 -15.625 -6.062 1.00 31.53 S ATOM 145 CE MET A 9 -5.676 -16.537 -7.393 1.00 44.51 C ATOM 0 H MET A 9 -5.391 -17.667 -4.855 1.00 12.25 H new ATOM 0 HA MET A 9 -7.892 -17.552 -3.349 1.00 2.23 H new ATOM 0 HB2 MET A 9 -7.206 -18.469 -6.177 1.00 51.52 H new ATOM 0 HB3 MET A 9 -8.827 -18.455 -5.512 1.00 51.52 H new ATOM 0 HG2 MET A 9 -8.542 -16.487 -6.876 1.00 71.54 H new ATOM 0 HG3 MET A 9 -8.666 -15.987 -5.201 1.00 71.54 H new ATOM 0 HE1 MET A 9 -4.914 -15.914 -7.861 1.00 44.51 H new ATOM 0 HE2 MET A 9 -5.212 -17.439 -6.993 1.00 44.51 H new ATOM 0 HE3 MET A 9 -6.425 -16.813 -8.135 1.00 44.51 H new ATOM 155 N GLY A 10 -7.900 -19.852 -2.482 1.00 33.52 N ATOM 156 CA GLY A 10 -8.145 -21.216 -2.050 1.00 73.32 C ATOM 157 C GLY A 10 -9.632 -21.511 -2.027 1.00 21.22 C ATOM 158 O GLY A 10 -10.437 -20.604 -1.782 1.00 31.32 O ATOM 0 H GLY A 10 -8.220 -19.139 -1.827 1.00 33.52 H new ATOM 0 HA2 GLY A 10 -7.641 -21.912 -2.721 1.00 73.32 H new ATOM 0 HA3 GLY A 10 -7.723 -21.370 -1.057 1.00 73.32 H new ATOM 162 N THR A 11 -10.006 -22.764 -2.259 1.00 23.20 N ATOM 163 CA THR A 11 -11.415 -23.150 -2.326 1.00 64.11 C ATOM 164 C THR A 11 -11.769 -24.158 -1.225 1.00 2.14 C ATOM 165 O THR A 11 -12.349 -23.789 -0.200 1.00 24.42 O ATOM 166 CB THR A 11 -11.758 -23.737 -3.717 1.00 61.21 C ATOM 167 OG1 THR A 11 -10.822 -24.773 -4.051 1.00 21.55 O ATOM 168 CG2 THR A 11 -11.727 -22.654 -4.792 1.00 2.40 C ATOM 0 H THR A 11 -9.353 -23.534 -2.405 1.00 23.20 H new ATOM 0 HA THR A 11 -12.010 -22.251 -2.169 1.00 64.11 H new ATOM 0 HB THR A 11 -12.765 -24.151 -3.674 1.00 61.21 H new ATOM 0 HG1 THR A 11 -11.044 -25.143 -4.931 1.00 21.55 H new ATOM 0 HG21 THR A 11 -11.972 -23.094 -5.759 1.00 2.40 H new ATOM 0 HG22 THR A 11 -12.456 -21.881 -4.550 1.00 2.40 H new ATOM 0 HG23 THR A 11 -10.731 -22.213 -4.836 1.00 2.40 H new ATOM 176 N LEU A 12 -11.411 -25.424 -1.441 1.00 10.11 N ATOM 177 CA LEU A 12 -11.666 -26.486 -0.468 1.00 62.34 C ATOM 178 C LEU A 12 -10.340 -26.975 0.105 1.00 50.51 C ATOM 179 O LEU A 12 -9.574 -27.665 -0.574 1.00 4.12 O ATOM 180 CB LEU A 12 -12.436 -27.643 -1.121 1.00 73.43 C ATOM 181 CG LEU A 12 -13.822 -27.273 -1.680 1.00 43.20 C ATOM 182 CD1 LEU A 12 -14.481 -28.479 -2.346 1.00 34.05 C ATOM 183 CD2 LEU A 12 -14.719 -26.709 -0.580 1.00 2.42 C ATOM 0 H LEU A 12 -10.940 -25.740 -2.288 1.00 10.11 H new ATOM 0 HA LEU A 12 -12.280 -26.092 0.342 1.00 62.34 H new ATOM 0 HB2 LEU A 12 -11.831 -28.049 -1.932 1.00 73.43 H new ATOM 0 HB3 LEU A 12 -12.559 -28.438 -0.385 1.00 73.43 H new ATOM 0 HG LEU A 12 -13.683 -26.501 -2.437 1.00 43.20 H new ATOM 0 HD11 LEU A 12 -15.459 -28.192 -2.733 1.00 34.05 H new ATOM 0 HD12 LEU A 12 -13.855 -28.829 -3.167 1.00 34.05 H new ATOM 0 HD13 LEU A 12 -14.601 -29.278 -1.615 1.00 34.05 H new ATOM 0 HD21 LEU A 12 -15.693 -26.455 -0.999 1.00 2.42 H new ATOM 0 HD22 LEU A 12 -14.845 -27.455 0.205 1.00 2.42 H new ATOM 0 HD23 LEU A 12 -14.260 -25.814 -0.160 1.00 2.42 H new ATOM 195 N GLU A 13 -10.073 -26.599 1.345 1.00 11.24 N ATOM 196 CA GLU A 13 -8.765 -26.807 1.953 1.00 2.42 C ATOM 197 C GLU A 13 -8.746 -28.096 2.775 1.00 25.54 C ATOM 198 O GLU A 13 -9.778 -28.748 2.956 1.00 43.43 O ATOM 199 CB GLU A 13 -8.429 -25.604 2.850 1.00 52.23 C ATOM 200 CG GLU A 13 -9.009 -24.277 2.355 1.00 2.02 C ATOM 201 CD GLU A 13 -8.349 -23.727 1.093 1.00 23.10 C ATOM 202 OE1 GLU A 13 -8.461 -24.351 0.017 1.00 20.54 O ATOM 203 OE2 GLU A 13 -7.753 -22.631 1.165 1.00 31.04 O ATOM 0 H GLU A 13 -10.750 -26.144 1.957 1.00 11.24 H new ATOM 0 HA GLU A 13 -8.018 -26.899 1.164 1.00 2.42 H new ATOM 0 HB2 GLU A 13 -8.801 -25.799 3.856 1.00 52.23 H new ATOM 0 HB3 GLU A 13 -7.346 -25.510 2.924 1.00 52.23 H new ATOM 0 HG2 GLU A 13 -10.074 -24.410 2.164 1.00 2.02 H new ATOM 0 HG3 GLU A 13 -8.917 -23.536 3.150 1.00 2.02 H new ATOM 210 N ALA A 14 -7.565 -28.454 3.268 1.00 34.40 N ATOM 211 CA ALA A 14 -7.410 -29.613 4.139 1.00 21.23 C ATOM 212 C ALA A 14 -7.533 -29.177 5.596 1.00 55.24 C ATOM 213 O ALA A 14 -6.677 -28.443 6.100 1.00 61.00 O ATOM 214 CB ALA A 14 -6.068 -30.296 3.892 1.00 34.11 C ATOM 0 H ALA A 14 -6.696 -27.954 3.077 1.00 34.40 H new ATOM 0 HA ALA A 14 -8.198 -30.333 3.916 1.00 21.23 H new ATOM 0 HB1 ALA A 14 -5.972 -31.158 4.552 1.00 34.11 H new ATOM 0 HB2 ALA A 14 -6.013 -30.625 2.854 1.00 34.11 H new ATOM 0 HB3 ALA A 14 -5.260 -29.593 4.093 1.00 34.11 H new ATOM 220 N GLN A 15 -8.599 -29.625 6.260 1.00 62.31 N ATOM 221 CA GLN A 15 -8.900 -29.200 7.629 1.00 61.21 C ATOM 222 C GLN A 15 -7.713 -29.430 8.564 1.00 41.33 C ATOM 223 O GLN A 15 -7.437 -30.562 8.966 1.00 55.20 O ATOM 224 CB GLN A 15 -10.133 -29.941 8.173 1.00 32.53 C ATOM 225 CG GLN A 15 -11.398 -29.750 7.344 1.00 2.10 C ATOM 226 CD GLN A 15 -12.621 -30.414 7.960 1.00 32.43 C ATOM 227 OE1 GLN A 15 -13.516 -30.870 7.248 1.00 73.03 O ATOM 228 NE2 GLN A 15 -12.680 -30.460 9.285 1.00 54.22 N ATOM 0 H GLN A 15 -9.272 -30.285 5.870 1.00 62.31 H new ATOM 0 HA GLN A 15 -9.109 -28.131 7.593 1.00 61.21 H new ATOM 0 HB2 GLN A 15 -9.907 -31.006 8.229 1.00 32.53 H new ATOM 0 HB3 GLN A 15 -10.326 -29.602 9.191 1.00 32.53 H new ATOM 0 HG2 GLN A 15 -11.591 -28.684 7.227 1.00 2.10 H new ATOM 0 HG3 GLN A 15 -11.236 -30.156 6.346 1.00 2.10 H new ATOM 0 HE21 GLN A 15 -11.920 -30.072 9.843 1.00 54.22 H new ATOM 0 HE22 GLN A 15 -13.486 -30.883 9.745 1.00 54.22 H new ATOM 237 N THR A 16 -6.994 -28.355 8.878 1.00 54.24 N ATOM 238 CA THR A 16 -5.926 -28.406 9.869 1.00 21.43 C ATOM 239 C THR A 16 -6.525 -28.694 11.251 1.00 75.24 C ATOM 240 O THR A 16 -5.980 -29.477 12.033 1.00 55.04 O ATOM 241 CB THR A 16 -5.103 -27.086 9.881 1.00 2.14 C ATOM 242 OG1 THR A 16 -4.123 -27.114 10.928 1.00 30.03 O ATOM 243 CG2 THR A 16 -6.002 -25.865 10.052 1.00 42.53 C ATOM 0 H THR A 16 -7.134 -27.436 8.458 1.00 54.24 H new ATOM 0 HA THR A 16 -5.239 -29.210 9.604 1.00 21.43 H new ATOM 0 HB THR A 16 -4.600 -27.008 8.917 1.00 2.14 H new ATOM 0 HG1 THR A 16 -4.536 -26.830 11.770 1.00 30.03 H new ATOM 0 HG21 THR A 16 -5.392 -24.962 10.056 1.00 42.53 H new ATOM 0 HG22 THR A 16 -6.714 -25.819 9.228 1.00 42.53 H new ATOM 0 HG23 THR A 16 -6.543 -25.941 10.995 1.00 42.53 H new ATOM 251 N GLN A 17 -7.669 -28.064 11.520 1.00 13.34 N ATOM 252 CA GLN A 17 -8.473 -28.332 12.710 1.00 34.33 C ATOM 253 C GLN A 17 -9.946 -28.114 12.368 1.00 53.31 C ATOM 254 O GLN A 17 -10.299 -28.001 11.192 1.00 40.31 O ATOM 255 CB GLN A 17 -8.069 -27.432 13.899 1.00 1.43 C ATOM 256 CG GLN A 17 -6.728 -27.802 14.546 1.00 44.23 C ATOM 257 CD GLN A 17 -5.597 -26.851 14.185 1.00 62.21 C ATOM 258 OE1 GLN A 17 -5.609 -26.221 13.131 1.00 74.11 O ATOM 259 NE2 GLN A 17 -4.596 -26.765 15.048 1.00 32.34 N ATOM 0 H GLN A 17 -8.066 -27.348 10.912 1.00 13.34 H new ATOM 0 HA GLN A 17 -8.300 -29.364 13.015 1.00 34.33 H new ATOM 0 HB2 GLN A 17 -8.021 -26.398 13.557 1.00 1.43 H new ATOM 0 HB3 GLN A 17 -8.850 -27.480 14.658 1.00 1.43 H new ATOM 0 HG2 GLN A 17 -6.848 -27.816 15.629 1.00 44.23 H new ATOM 0 HG3 GLN A 17 -6.454 -28.812 14.242 1.00 44.23 H new ATOM 0 HE21 GLN A 17 -4.621 -27.304 15.914 1.00 32.34 H new ATOM 0 HE22 GLN A 17 -3.800 -26.160 14.847 1.00 32.34 H new ATOM 268 N GLY A 18 -10.792 -28.061 13.389 1.00 74.42 N ATOM 269 CA GLY A 18 -12.206 -27.805 13.184 1.00 12.00 C ATOM 270 C GLY A 18 -12.836 -27.182 14.411 1.00 35.14 C ATOM 271 O GLY A 18 -12.675 -25.984 14.646 1.00 43.04 O ATOM 0 H GLY A 18 -10.522 -28.192 14.364 1.00 74.42 H new ATOM 0 HA2 GLY A 18 -12.337 -27.142 12.329 1.00 12.00 H new ATOM 0 HA3 GLY A 18 -12.716 -28.738 12.945 1.00 12.00 H new ATOM 275 N PRO A 19 -13.561 -27.976 15.219 1.00 2.43 N ATOM 276 CA PRO A 19 -14.136 -27.508 16.477 1.00 73.41 C ATOM 277 C PRO A 19 -13.141 -27.628 17.633 1.00 73.01 C ATOM 278 O PRO A 19 -11.936 -27.789 17.415 1.00 12.24 O ATOM 279 CB PRO A 19 -15.315 -28.465 16.665 1.00 61.45 C ATOM 280 CG PRO A 19 -14.831 -29.761 16.092 1.00 2.54 C ATOM 281 CD PRO A 19 -13.885 -29.400 14.966 1.00 51.13 C ATOM 0 HA PRO A 19 -14.417 -26.455 16.460 1.00 73.41 H new ATOM 0 HB2 PRO A 19 -15.580 -28.569 17.717 1.00 61.45 H new ATOM 0 HB3 PRO A 19 -16.205 -28.108 16.146 1.00 61.45 H new ATOM 0 HG2 PRO A 19 -14.323 -30.356 16.851 1.00 2.54 H new ATOM 0 HG3 PRO A 19 -15.665 -30.359 15.723 1.00 2.54 H new ATOM 0 HD2 PRO A 19 -12.990 -30.022 14.980 1.00 51.13 H new ATOM 0 HD3 PRO A 19 -14.353 -29.537 13.991 1.00 51.13 H new ATOM 289 N GLY A 20 -13.649 -27.552 18.857 1.00 44.34 N ATOM 290 CA GLY A 20 -12.807 -27.696 20.027 1.00 15.12 C ATOM 291 C GLY A 20 -13.547 -27.351 21.302 1.00 30.50 C ATOM 292 O GLY A 20 -14.425 -26.485 21.299 1.00 30.22 O ATOM 0 H GLY A 20 -14.636 -27.392 19.060 1.00 44.34 H new ATOM 0 HA2 GLY A 20 -12.440 -28.721 20.086 1.00 15.12 H new ATOM 0 HA3 GLY A 20 -11.934 -27.050 19.928 1.00 15.12 H new ATOM 296 N SER A 21 -13.207 -28.034 22.389 1.00 5.35 N ATOM 297 CA SER A 21 -13.837 -27.776 23.675 1.00 13.22 C ATOM 298 C SER A 21 -13.296 -26.470 24.256 1.00 35.21 C ATOM 299 O SER A 21 -12.084 -26.322 24.444 1.00 61.22 O ATOM 300 CB SER A 21 -13.595 -28.948 24.641 1.00 65.31 C ATOM 301 OG SER A 21 -14.374 -28.816 25.821 1.00 31.31 O ATOM 0 H SER A 21 -12.500 -28.769 22.404 1.00 5.35 H new ATOM 0 HA SER A 21 -14.913 -27.679 23.533 1.00 13.22 H new ATOM 0 HB2 SER A 21 -13.840 -29.887 24.145 1.00 65.31 H new ATOM 0 HB3 SER A 21 -12.538 -28.993 24.904 1.00 65.31 H new ATOM 0 HG SER A 21 -14.200 -29.576 26.415 1.00 31.31 H new ATOM 307 N MET A 22 -14.205 -25.522 24.501 1.00 40.34 N ATOM 308 CA MET A 22 -13.861 -24.189 25.011 1.00 11.43 C ATOM 309 C MET A 22 -13.196 -23.344 23.928 1.00 25.31 C ATOM 310 O MET A 22 -12.679 -22.256 24.193 1.00 73.35 O ATOM 311 CB MET A 22 -12.981 -24.265 26.269 1.00 14.10 C ATOM 312 CG MET A 22 -13.701 -24.822 27.489 1.00 73.13 C ATOM 313 SD MET A 22 -12.658 -24.854 28.961 1.00 12.04 S ATOM 314 CE MET A 22 -13.855 -25.337 30.205 1.00 34.42 C ATOM 0 H MET A 22 -15.205 -25.657 24.351 1.00 40.34 H new ATOM 0 HA MET A 22 -14.793 -23.703 25.298 1.00 11.43 H new ATOM 0 HB2 MET A 22 -12.112 -24.887 26.056 1.00 14.10 H new ATOM 0 HB3 MET A 22 -12.609 -23.267 26.502 1.00 14.10 H new ATOM 0 HG2 MET A 22 -14.587 -24.219 27.690 1.00 73.13 H new ATOM 0 HG3 MET A 22 -14.046 -25.833 27.272 1.00 73.13 H new ATOM 0 HE1 MET A 22 -13.364 -25.401 31.176 1.00 34.42 H new ATOM 0 HE2 MET A 22 -14.653 -24.595 30.250 1.00 34.42 H new ATOM 0 HE3 MET A 22 -14.277 -26.308 29.946 1.00 34.42 H new ATOM 324 N ASP A 23 -13.251 -23.843 22.703 1.00 74.42 N ATOM 325 CA ASP A 23 -12.777 -23.105 21.538 1.00 12.13 C ATOM 326 C ASP A 23 -13.984 -22.386 20.938 1.00 74.30 C ATOM 327 O ASP A 23 -15.056 -22.366 21.554 1.00 71.42 O ATOM 328 CB ASP A 23 -12.124 -24.061 20.515 1.00 21.15 C ATOM 329 CG ASP A 23 -10.984 -23.419 19.719 1.00 3.10 C ATOM 330 OD1 ASP A 23 -11.166 -22.302 19.189 1.00 40.20 O ATOM 331 OD2 ASP A 23 -9.906 -24.050 19.603 1.00 33.13 O ATOM 0 H ASP A 23 -13.624 -24.767 22.487 1.00 74.42 H new ATOM 0 HA ASP A 23 -12.012 -22.382 21.821 1.00 12.13 H new ATOM 0 HB2 ASP A 23 -11.742 -24.936 21.040 1.00 21.15 H new ATOM 0 HB3 ASP A 23 -12.887 -24.414 19.821 1.00 21.15 H new ATOM 336 N ASP A 24 -13.840 -21.804 19.763 1.00 42.31 N ATOM 337 CA ASP A 24 -14.942 -21.064 19.151 1.00 42.05 C ATOM 338 C ASP A 24 -15.864 -22.015 18.380 1.00 40.34 C ATOM 339 O ASP A 24 -15.547 -23.193 18.205 1.00 21.12 O ATOM 340 CB ASP A 24 -14.398 -19.966 18.226 1.00 70.42 C ATOM 341 CG ASP A 24 -15.401 -18.849 18.008 1.00 43.13 C ATOM 342 OD1 ASP A 24 -15.396 -17.886 18.806 1.00 1.13 O ATOM 343 OD2 ASP A 24 -16.200 -18.928 17.058 1.00 14.53 O ATOM 0 H ASP A 24 -12.982 -21.825 19.212 1.00 42.31 H new ATOM 0 HA ASP A 24 -15.525 -20.591 19.941 1.00 42.05 H new ATOM 0 HB2 ASP A 24 -13.485 -19.553 18.654 1.00 70.42 H new ATOM 0 HB3 ASP A 24 -14.130 -20.404 17.264 1.00 70.42 H new ATOM 348 N GLU A 25 -17.005 -21.499 17.934 1.00 43.24 N ATOM 349 CA GLU A 25 -17.965 -22.289 17.166 1.00 32.13 C ATOM 350 C GLU A 25 -17.486 -22.431 15.726 1.00 71.11 C ATOM 351 O GLU A 25 -16.514 -21.785 15.328 1.00 11.21 O ATOM 352 CB GLU A 25 -19.345 -21.621 17.204 1.00 24.04 C ATOM 353 CG GLU A 25 -19.942 -21.512 18.605 1.00 41.52 C ATOM 354 CD GLU A 25 -20.370 -22.856 19.178 1.00 11.45 C ATOM 355 OE1 GLU A 25 -19.509 -23.601 19.697 1.00 25.03 O ATOM 356 OE2 GLU A 25 -21.578 -23.174 19.113 1.00 40.34 O ATOM 0 H GLU A 25 -17.290 -20.532 18.092 1.00 43.24 H new ATOM 0 HA GLU A 25 -18.045 -23.282 17.609 1.00 32.13 H new ATOM 0 HB2 GLU A 25 -19.266 -20.622 16.775 1.00 24.04 H new ATOM 0 HB3 GLU A 25 -20.029 -22.187 16.571 1.00 24.04 H new ATOM 0 HG2 GLU A 25 -19.209 -21.056 19.271 1.00 41.52 H new ATOM 0 HG3 GLU A 25 -20.804 -20.845 18.575 1.00 41.52 H new ATOM 363 N LEU A 26 -18.163 -23.262 14.936 1.00 21.21 N ATOM 364 CA LEU A 26 -17.741 -23.483 13.559 1.00 15.43 C ATOM 365 C LEU A 26 -18.126 -22.316 12.669 1.00 11.11 C ATOM 366 O LEU A 26 -19.224 -21.756 12.764 1.00 33.23 O ATOM 367 CB LEU A 26 -18.299 -24.786 12.968 1.00 3.44 C ATOM 368 CG LEU A 26 -17.686 -26.087 13.509 1.00 42.43 C ATOM 369 CD1 LEU A 26 -16.165 -25.992 13.576 1.00 63.11 C ATOM 370 CD2 LEU A 26 -18.279 -26.456 14.869 1.00 21.13 C ATOM 0 H LEU A 26 -18.992 -23.784 15.221 1.00 21.21 H new ATOM 0 HA LEU A 26 -16.655 -23.570 13.591 1.00 15.43 H new ATOM 0 HB2 LEU A 26 -19.374 -24.812 13.147 1.00 3.44 H new ATOM 0 HB3 LEU A 26 -18.156 -24.762 11.888 1.00 3.44 H new ATOM 0 HG LEU A 26 -17.938 -26.887 12.813 1.00 42.43 H new ATOM 0 HD11 LEU A 26 -15.759 -26.927 13.962 1.00 63.11 H new ATOM 0 HD12 LEU A 26 -15.768 -25.809 12.578 1.00 63.11 H new ATOM 0 HD13 LEU A 26 -15.880 -25.172 14.236 1.00 63.11 H new ATOM 0 HD21 LEU A 26 -17.825 -27.381 15.225 1.00 21.13 H new ATOM 0 HD22 LEU A 26 -18.080 -25.656 15.582 1.00 21.13 H new ATOM 0 HD23 LEU A 26 -19.356 -26.595 14.771 1.00 21.13 H new ATOM 382 N TYR A 27 -17.196 -21.973 11.810 1.00 5.01 N ATOM 383 CA TYR A 27 -17.336 -20.923 10.832 1.00 1.23 C ATOM 384 C TYR A 27 -16.871 -21.447 9.483 1.00 21.45 C ATOM 385 O TYR A 27 -16.170 -22.471 9.406 1.00 35.30 O ATOM 386 CB TYR A 27 -16.493 -19.692 11.230 1.00 52.12 C ATOM 387 CG TYR A 27 -17.195 -18.706 12.149 1.00 2.32 C ATOM 388 CD1 TYR A 27 -17.619 -19.077 13.421 1.00 64.22 C ATOM 389 CD2 TYR A 27 -17.422 -17.394 11.741 1.00 22.21 C ATOM 390 CE1 TYR A 27 -18.252 -18.172 14.252 1.00 54.23 C ATOM 391 CE2 TYR A 27 -18.054 -16.488 12.569 1.00 1.01 C ATOM 392 CZ TYR A 27 -18.467 -16.881 13.821 1.00 13.21 C ATOM 393 OH TYR A 27 -19.095 -15.977 14.646 1.00 30.44 O ATOM 0 H TYR A 27 -16.288 -22.435 11.772 1.00 5.01 H new ATOM 0 HA TYR A 27 -18.381 -20.619 10.778 1.00 1.23 H new ATOM 0 HB2 TYR A 27 -15.582 -20.037 11.719 1.00 52.12 H new ATOM 0 HB3 TYR A 27 -16.190 -19.169 10.323 1.00 52.12 H new ATOM 0 HD1 TYR A 27 -17.451 -20.087 13.764 1.00 64.22 H new ATOM 0 HD2 TYR A 27 -17.098 -17.080 10.760 1.00 22.21 H new ATOM 0 HE1 TYR A 27 -18.577 -18.476 15.236 1.00 54.23 H new ATOM 0 HE2 TYR A 27 -18.223 -15.475 12.235 1.00 1.01 H new ATOM 0 HH TYR A 27 -19.167 -15.113 14.190 1.00 30.44 H new ATOM 403 N PHE A 28 -17.286 -20.752 8.439 1.00 71.32 N ATOM 404 CA PHE A 28 -16.826 -20.995 7.086 1.00 10.14 C ATOM 405 C PHE A 28 -16.390 -19.673 6.477 1.00 42.44 C ATOM 406 O PHE A 28 -16.788 -18.605 6.954 1.00 44.14 O ATOM 407 CB PHE A 28 -17.942 -21.627 6.225 1.00 40.34 C ATOM 408 CG PHE A 28 -17.700 -23.073 5.885 1.00 41.12 C ATOM 409 CD1 PHE A 28 -16.496 -23.470 5.335 1.00 74.33 C ATOM 410 CD2 PHE A 28 -18.667 -24.038 6.127 1.00 65.42 C ATOM 411 CE1 PHE A 28 -16.266 -24.792 5.026 1.00 21.32 C ATOM 412 CE2 PHE A 28 -18.430 -25.366 5.813 1.00 62.14 C ATOM 413 CZ PHE A 28 -17.233 -25.735 5.264 1.00 60.33 C ATOM 0 H PHE A 28 -17.962 -19.992 8.510 1.00 71.32 H new ATOM 0 HA PHE A 28 -15.990 -21.693 7.114 1.00 10.14 H new ATOM 0 HB2 PHE A 28 -18.890 -21.542 6.756 1.00 40.34 H new ATOM 0 HB3 PHE A 28 -18.042 -21.058 5.301 1.00 40.34 H new ATOM 0 HD1 PHE A 28 -15.727 -22.736 5.145 1.00 74.33 H new ATOM 0 HD2 PHE A 28 -19.612 -23.751 6.564 1.00 65.42 H new ATOM 0 HE1 PHE A 28 -15.321 -25.087 4.595 1.00 21.32 H new ATOM 0 HE2 PHE A 28 -19.190 -26.110 6.002 1.00 62.14 H new ATOM 0 HZ PHE A 28 -17.049 -26.770 5.018 1.00 60.33 H new ATOM 423 N VAL A 29 -15.581 -19.738 5.432 1.00 31.31 N ATOM 424 CA VAL A 29 -15.201 -18.550 4.695 1.00 3.35 C ATOM 425 C VAL A 29 -16.218 -18.355 3.584 1.00 63.31 C ATOM 426 O VAL A 29 -16.404 -19.242 2.772 1.00 22.10 O ATOM 427 CB VAL A 29 -13.772 -18.692 4.115 1.00 23.40 C ATOM 428 CG1 VAL A 29 -13.458 -17.573 3.130 1.00 63.55 C ATOM 429 CG2 VAL A 29 -12.737 -18.732 5.240 1.00 71.30 C ATOM 0 H VAL A 29 -15.176 -20.604 5.077 1.00 31.31 H new ATOM 0 HA VAL A 29 -15.191 -17.683 5.356 1.00 3.35 H new ATOM 0 HB VAL A 29 -13.725 -19.634 3.569 1.00 23.40 H new ATOM 0 HG11 VAL A 29 -12.448 -17.703 2.742 1.00 63.55 H new ATOM 0 HG12 VAL A 29 -14.170 -17.604 2.305 1.00 63.55 H new ATOM 0 HG13 VAL A 29 -13.531 -16.611 3.637 1.00 63.55 H new ATOM 0 HG21 VAL A 29 -11.739 -18.832 4.813 1.00 71.30 H new ATOM 0 HG22 VAL A 29 -12.793 -17.810 5.819 1.00 71.30 H new ATOM 0 HG23 VAL A 29 -12.940 -19.582 5.891 1.00 71.30 H new ATOM 439 N VAL A 30 -16.904 -17.224 3.561 1.00 64.44 N ATOM 440 CA VAL A 30 -18.016 -17.037 2.632 1.00 74.31 C ATOM 441 C VAL A 30 -17.848 -15.784 1.789 1.00 41.10 C ATOM 442 O VAL A 30 -17.065 -14.885 2.125 1.00 44.12 O ATOM 443 CB VAL A 30 -19.374 -16.960 3.375 1.00 20.14 C ATOM 444 CG1 VAL A 30 -19.612 -18.222 4.204 1.00 2.32 C ATOM 445 CG2 VAL A 30 -19.447 -15.701 4.241 1.00 64.13 C ATOM 0 H VAL A 30 -16.716 -16.426 4.167 1.00 64.44 H new ATOM 0 HA VAL A 30 -18.011 -17.909 1.977 1.00 74.31 H new ATOM 0 HB VAL A 30 -20.169 -16.898 2.632 1.00 20.14 H new ATOM 0 HG11 VAL A 30 -20.571 -18.145 4.716 1.00 2.32 H new ATOM 0 HG12 VAL A 30 -19.620 -19.092 3.548 1.00 2.32 H new ATOM 0 HG13 VAL A 30 -18.815 -18.330 4.940 1.00 2.32 H new ATOM 0 HG21 VAL A 30 -20.408 -15.667 4.753 1.00 64.13 H new ATOM 0 HG22 VAL A 30 -18.644 -15.719 4.978 1.00 64.13 H new ATOM 0 HG23 VAL A 30 -19.341 -14.819 3.610 1.00 64.13 H new ATOM 455 N ARG A 31 -18.574 -15.760 0.676 1.00 74.21 N ATOM 456 CA ARG A 31 -18.618 -14.592 -0.202 1.00 61.34 C ATOM 457 C ARG A 31 -19.715 -14.757 -1.241 1.00 65.32 C ATOM 458 O ARG A 31 -20.290 -15.836 -1.368 1.00 35.24 O ATOM 459 CB ARG A 31 -17.270 -14.371 -0.908 1.00 41.42 C ATOM 460 CG ARG A 31 -16.728 -15.596 -1.647 1.00 24.13 C ATOM 461 CD ARG A 31 -15.639 -15.212 -2.649 1.00 34.43 C ATOM 462 NE ARG A 31 -14.790 -16.345 -3.030 1.00 52.03 N ATOM 463 CZ ARG A 31 -15.209 -17.439 -3.669 1.00 70.33 C ATOM 464 NH1 ARG A 31 -16.470 -17.551 -4.060 1.00 13.04 N ATOM 465 NH2 ARG A 31 -14.353 -18.420 -3.922 1.00 53.34 N ATOM 0 H ARG A 31 -19.145 -16.543 0.357 1.00 74.21 H new ATOM 0 HA ARG A 31 -18.829 -13.720 0.417 1.00 61.34 H new ATOM 0 HB2 ARG A 31 -17.378 -13.552 -1.620 1.00 41.42 H new ATOM 0 HB3 ARG A 31 -16.535 -14.055 -0.168 1.00 41.42 H new ATOM 0 HG2 ARG A 31 -16.326 -16.308 -0.926 1.00 24.13 H new ATOM 0 HG3 ARG A 31 -17.543 -16.097 -2.169 1.00 24.13 H new ATOM 0 HD2 ARG A 31 -16.105 -14.797 -3.543 1.00 34.43 H new ATOM 0 HD3 ARG A 31 -15.017 -14.427 -2.219 1.00 34.43 H new ATOM 0 HE ARG A 31 -13.801 -16.293 -2.787 1.00 52.03 H new ATOM 0 HH11 ARG A 31 -17.131 -16.797 -3.873 1.00 13.04 H new ATOM 0 HH12 ARG A 31 -16.780 -18.391 -4.548 1.00 13.04 H new ATOM 0 HH21 ARG A 31 -13.380 -18.336 -3.628 1.00 53.34 H new ATOM 0 HH22 ARG A 31 -14.668 -19.258 -4.410 1.00 53.34 H new ATOM 479 N ASN A 32 -20.010 -13.693 -1.982 1.00 2.23 N ATOM 480 CA ASN A 32 -20.877 -13.820 -3.149 1.00 31.43 C ATOM 481 C ASN A 32 -20.432 -12.866 -4.251 1.00 1.13 C ATOM 482 O ASN A 32 -20.115 -11.713 -3.981 1.00 32.34 O ATOM 483 CB ASN A 32 -22.353 -13.547 -2.778 1.00 44.45 C ATOM 484 CG ASN A 32 -22.652 -12.101 -2.368 1.00 22.14 C ATOM 485 OD1 ASN A 32 -23.731 -11.576 -2.662 1.00 21.30 O ATOM 486 ND2 ASN A 32 -21.730 -11.455 -1.664 1.00 21.21 N ATOM 0 H ASN A 32 -19.669 -12.749 -1.800 1.00 2.23 H new ATOM 0 HA ASN A 32 -20.798 -14.844 -3.513 1.00 31.43 H new ATOM 0 HB2 ASN A 32 -22.982 -13.806 -3.630 1.00 44.45 H new ATOM 0 HB3 ASN A 32 -22.636 -14.209 -1.959 1.00 44.45 H new ATOM 0 HD21 ASN A 32 -21.904 -10.500 -1.351 1.00 21.21 H new ATOM 0 HD22 ASN A 32 -20.848 -11.914 -1.436 1.00 21.21 H new ATOM 493 N ASN A 33 -20.478 -13.370 -5.490 1.00 42.50 N ATOM 494 CA ASN A 33 -20.154 -12.629 -6.732 1.00 1.24 C ATOM 495 C ASN A 33 -19.080 -11.517 -6.578 1.00 14.24 C ATOM 496 O ASN A 33 -18.984 -10.632 -7.428 1.00 32.20 O ATOM 497 CB ASN A 33 -21.453 -12.032 -7.312 1.00 73.12 C ATOM 498 CG ASN A 33 -21.323 -11.627 -8.775 1.00 2.33 C ATOM 499 OD1 ASN A 33 -20.568 -12.236 -9.538 1.00 42.53 O ATOM 500 ND2 ASN A 33 -22.063 -10.605 -9.178 1.00 65.15 N ATOM 0 H ASN A 33 -20.750 -14.336 -5.670 1.00 42.50 H new ATOM 0 HA ASN A 33 -19.708 -13.357 -7.410 1.00 1.24 H new ATOM 0 HB2 ASN A 33 -22.257 -12.761 -7.213 1.00 73.12 H new ATOM 0 HB3 ASN A 33 -21.739 -11.160 -6.724 1.00 73.12 H new ATOM 0 HD21 ASN A 33 -22.021 -10.296 -10.149 1.00 65.15 H new ATOM 0 HD22 ASN A 33 -22.675 -10.127 -8.517 1.00 65.15 H new ATOM 507 N GLU A 34 -18.259 -11.566 -5.528 1.00 12.12 N ATOM 508 CA GLU A 34 -17.330 -10.467 -5.228 1.00 15.25 C ATOM 509 C GLU A 34 -15.865 -10.869 -5.417 1.00 55.43 C ATOM 510 O GLU A 34 -15.024 -10.036 -5.761 1.00 11.43 O ATOM 511 CB GLU A 34 -17.556 -9.983 -3.793 1.00 31.40 C ATOM 512 CG GLU A 34 -17.299 -11.054 -2.738 1.00 45.21 C ATOM 513 CD GLU A 34 -17.784 -10.644 -1.359 1.00 55.45 C ATOM 514 OE1 GLU A 34 -17.157 -9.752 -0.744 1.00 52.32 O ATOM 515 OE2 GLU A 34 -18.794 -11.208 -0.888 1.00 70.25 O ATOM 0 H GLU A 34 -18.215 -12.347 -4.873 1.00 12.12 H new ATOM 0 HA GLU A 34 -17.536 -9.663 -5.934 1.00 15.25 H new ATOM 0 HB2 GLU A 34 -16.904 -9.131 -3.599 1.00 31.40 H new ATOM 0 HB3 GLU A 34 -18.582 -9.628 -3.696 1.00 31.40 H new ATOM 0 HG2 GLU A 34 -17.797 -11.977 -3.034 1.00 45.21 H new ATOM 0 HG3 GLU A 34 -16.231 -11.267 -2.695 1.00 45.21 H new ATOM 522 N GLY A 35 -15.560 -12.138 -5.162 1.00 13.30 N ATOM 523 CA GLY A 35 -14.182 -12.611 -5.229 1.00 3.53 C ATOM 524 C GLY A 35 -13.408 -12.351 -3.939 1.00 21.20 C ATOM 525 O GLY A 35 -12.415 -13.026 -3.658 1.00 11.05 O ATOM 0 H GLY A 35 -16.243 -12.852 -4.909 1.00 13.30 H new ATOM 0 HA2 GLY A 35 -14.179 -13.680 -5.441 1.00 3.53 H new ATOM 0 HA3 GLY A 35 -13.673 -12.120 -6.059 1.00 3.53 H new ATOM 529 N GLN A 36 -13.868 -11.378 -3.151 1.00 72.42 N ATOM 530 CA GLN A 36 -13.262 -11.071 -1.855 1.00 74.31 C ATOM 531 C GLN A 36 -13.768 -12.077 -0.819 1.00 21.04 C ATOM 532 O GLN A 36 -14.812 -12.694 -1.025 1.00 51.11 O ATOM 533 CB GLN A 36 -13.607 -9.630 -1.440 1.00 41.20 C ATOM 534 CG GLN A 36 -12.820 -9.114 -0.240 1.00 14.33 C ATOM 535 CD GLN A 36 -13.129 -7.658 0.076 1.00 24.11 C ATOM 536 OE1 GLN A 36 -14.020 -7.357 0.867 1.00 61.54 O ATOM 537 NE2 GLN A 36 -12.407 -6.744 -0.555 1.00 51.11 N ATOM 0 H GLN A 36 -14.663 -10.786 -3.390 1.00 72.42 H new ATOM 0 HA GLN A 36 -12.177 -11.149 -1.923 1.00 74.31 H new ATOM 0 HB2 GLN A 36 -13.429 -8.968 -2.288 1.00 41.20 H new ATOM 0 HB3 GLN A 36 -14.671 -9.576 -1.212 1.00 41.20 H new ATOM 0 HG2 GLN A 36 -13.048 -9.728 0.631 1.00 14.33 H new ATOM 0 HG3 GLN A 36 -11.753 -9.222 -0.436 1.00 14.33 H new ATOM 0 HE21 GLN A 36 -11.675 -7.032 -1.205 1.00 51.11 H new ATOM 0 HE22 GLN A 36 -12.583 -5.753 -0.391 1.00 51.11 H new ATOM 546 N TYR A 37 -13.041 -12.255 0.282 1.00 44.03 N ATOM 547 CA TYR A 37 -13.377 -13.292 1.260 1.00 31.33 C ATOM 548 C TYR A 37 -13.858 -12.718 2.586 1.00 72.14 C ATOM 549 O TYR A 37 -13.330 -11.716 3.074 1.00 73.10 O ATOM 550 CB TYR A 37 -12.176 -14.222 1.492 1.00 65.43 C ATOM 551 CG TYR A 37 -12.054 -15.290 0.427 1.00 23.52 C ATOM 552 CD1 TYR A 37 -13.109 -16.161 0.207 1.00 60.30 C ATOM 553 CD2 TYR A 37 -10.914 -15.426 -0.361 1.00 24.31 C ATOM 554 CE1 TYR A 37 -13.040 -17.139 -0.760 1.00 72.34 C ATOM 555 CE2 TYR A 37 -10.837 -16.402 -1.341 1.00 24.44 C ATOM 556 CZ TYR A 37 -11.905 -17.257 -1.533 1.00 11.32 C ATOM 557 OH TYR A 37 -11.853 -18.227 -2.512 1.00 0.35 O ATOM 0 H TYR A 37 -12.220 -11.699 0.520 1.00 44.03 H new ATOM 0 HA TYR A 37 -14.204 -13.863 0.839 1.00 31.33 H new ATOM 0 HB2 TYR A 37 -11.261 -13.630 1.514 1.00 65.43 H new ATOM 0 HB3 TYR A 37 -12.272 -14.697 2.468 1.00 65.43 H new ATOM 0 HD1 TYR A 37 -14.003 -16.071 0.806 1.00 60.30 H new ATOM 0 HD2 TYR A 37 -10.078 -14.761 -0.206 1.00 24.31 H new ATOM 0 HE1 TYR A 37 -13.872 -17.811 -0.912 1.00 72.34 H new ATOM 0 HE2 TYR A 37 -9.950 -16.494 -1.950 1.00 24.44 H new ATOM 0 HH TYR A 37 -11.352 -19.001 -2.179 1.00 0.35 H new ATOM 567 N SER A 38 -14.866 -13.379 3.154 1.00 71.15 N ATOM 568 CA SER A 38 -15.381 -13.053 4.473 1.00 73.51 C ATOM 569 C SER A 38 -15.561 -14.340 5.279 1.00 12.10 C ATOM 570 O SER A 38 -15.258 -15.428 4.783 1.00 11.10 O ATOM 571 CB SER A 38 -16.719 -12.315 4.348 1.00 52.44 C ATOM 572 OG SER A 38 -16.601 -11.178 3.509 1.00 71.45 O ATOM 0 H SER A 38 -15.347 -14.159 2.706 1.00 71.15 H new ATOM 0 HA SER A 38 -14.673 -12.403 4.987 1.00 73.51 H new ATOM 0 HB2 SER A 38 -17.474 -12.991 3.945 1.00 52.44 H new ATOM 0 HB3 SER A 38 -17.061 -12.007 5.336 1.00 52.44 H new ATOM 0 HG SER A 38 -17.469 -10.727 3.445 1.00 71.45 H new ATOM 578 N VAL A 39 -16.043 -14.225 6.514 1.00 63.03 N ATOM 579 CA VAL A 39 -16.324 -15.397 7.346 1.00 5.30 C ATOM 580 C VAL A 39 -17.772 -15.381 7.829 1.00 14.12 C ATOM 581 O VAL A 39 -18.414 -14.326 7.858 1.00 3.12 O ATOM 582 CB VAL A 39 -15.358 -15.495 8.557 1.00 35.10 C ATOM 583 CG1 VAL A 39 -13.935 -15.795 8.085 1.00 34.34 C ATOM 584 CG2 VAL A 39 -15.399 -14.216 9.395 1.00 24.42 C ATOM 0 H VAL A 39 -16.248 -13.332 6.963 1.00 63.03 H new ATOM 0 HA VAL A 39 -16.166 -16.278 6.723 1.00 5.30 H new ATOM 0 HB VAL A 39 -15.688 -16.318 9.191 1.00 35.10 H new ATOM 0 HG11 VAL A 39 -13.272 -15.860 8.947 1.00 34.34 H new ATOM 0 HG12 VAL A 39 -13.923 -16.742 7.545 1.00 34.34 H new ATOM 0 HG13 VAL A 39 -13.595 -14.997 7.425 1.00 34.34 H new ATOM 0 HG21 VAL A 39 -14.713 -14.311 10.237 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -15.102 -13.368 8.779 1.00 24.42 H new ATOM 0 HG23 VAL A 39 -16.411 -14.057 9.767 1.00 24.42 H new ATOM 594 N TRP A 40 -18.280 -16.553 8.197 1.00 31.10 N ATOM 595 CA TRP A 40 -19.689 -16.720 8.549 1.00 74.31 C ATOM 596 C TRP A 40 -19.862 -17.919 9.479 1.00 25.31 C ATOM 597 O TRP A 40 -19.142 -18.906 9.352 1.00 1.51 O ATOM 598 CB TRP A 40 -20.489 -16.910 7.257 1.00 25.04 C ATOM 599 CG TRP A 40 -21.926 -17.270 7.444 1.00 64.03 C ATOM 600 CD1 TRP A 40 -22.952 -16.422 7.730 1.00 73.50 C ATOM 601 CD2 TRP A 40 -22.500 -18.574 7.320 1.00 63.34 C ATOM 602 NE1 TRP A 40 -24.130 -17.122 7.807 1.00 4.55 N ATOM 603 CE2 TRP A 40 -23.877 -18.441 7.555 1.00 73.33 C ATOM 604 CE3 TRP A 40 -21.980 -19.841 7.036 1.00 72.11 C ATOM 605 CZ2 TRP A 40 -24.744 -19.519 7.511 1.00 64.30 C ATOM 606 CZ3 TRP A 40 -22.844 -20.918 6.995 1.00 51.14 C ATOM 607 CH2 TRP A 40 -24.215 -20.751 7.228 1.00 71.21 C ATOM 0 H TRP A 40 -17.731 -17.411 8.260 1.00 31.10 H new ATOM 0 HA TRP A 40 -20.053 -15.838 9.076 1.00 74.31 H new ATOM 0 HB2 TRP A 40 -20.435 -15.989 6.677 1.00 25.04 H new ATOM 0 HB3 TRP A 40 -20.010 -17.689 6.664 1.00 25.04 H new ATOM 0 HD1 TRP A 40 -22.853 -15.356 7.875 1.00 73.50 H new ATOM 0 HE1 TRP A 40 -25.045 -16.723 8.018 1.00 4.55 H new ATOM 0 HE3 TRP A 40 -20.924 -19.975 6.852 1.00 72.11 H new ATOM 0 HZ2 TRP A 40 -25.801 -19.393 7.693 1.00 64.30 H new ATOM 0 HZ3 TRP A 40 -22.457 -21.903 6.780 1.00 51.14 H new ATOM 0 HH2 TRP A 40 -24.868 -21.610 7.184 1.00 71.21 H new ATOM 618 N MET A 41 -20.807 -17.826 10.411 1.00 15.53 N ATOM 619 CA MET A 41 -21.014 -18.875 11.413 1.00 1.22 C ATOM 620 C MET A 41 -21.846 -20.025 10.848 1.00 72.33 C ATOM 621 O MET A 41 -22.953 -19.815 10.345 1.00 71.32 O ATOM 622 CB MET A 41 -21.705 -18.302 12.660 1.00 42.31 C ATOM 623 CG MET A 41 -21.900 -19.322 13.777 1.00 31.15 C ATOM 624 SD MET A 41 -22.728 -18.627 15.222 1.00 32.11 S ATOM 625 CE MET A 41 -22.678 -20.027 16.341 1.00 73.30 C ATOM 0 H MET A 41 -21.444 -17.034 10.496 1.00 15.53 H new ATOM 0 HA MET A 41 -20.033 -19.261 11.691 1.00 1.22 H new ATOM 0 HB2 MET A 41 -21.115 -17.468 13.041 1.00 42.31 H new ATOM 0 HB3 MET A 41 -22.677 -17.900 12.373 1.00 42.31 H new ATOM 0 HG2 MET A 41 -22.483 -20.161 13.398 1.00 31.15 H new ATOM 0 HG3 MET A 41 -20.929 -19.717 14.075 1.00 31.15 H new ATOM 0 HE1 MET A 41 -22.618 -19.669 17.369 1.00 73.30 H new ATOM 0 HE2 MET A 41 -23.581 -20.624 16.217 1.00 73.30 H new ATOM 0 HE3 MET A 41 -21.805 -20.640 16.118 1.00 73.30 H new ATOM 635 N ASP A 42 -21.308 -21.238 10.946 1.00 51.30 N ATOM 636 CA ASP A 42 -22.005 -22.441 10.491 1.00 11.42 C ATOM 637 C ASP A 42 -23.143 -22.795 11.449 1.00 34.45 C ATOM 638 O ASP A 42 -23.002 -22.659 12.669 1.00 34.15 O ATOM 639 CB ASP A 42 -21.024 -23.619 10.381 1.00 70.44 C ATOM 640 CG ASP A 42 -21.708 -24.922 9.985 1.00 62.11 C ATOM 641 OD1 ASP A 42 -22.017 -25.102 8.788 1.00 14.52 O ATOM 642 OD2 ASP A 42 -21.938 -25.774 10.869 1.00 62.33 O ATOM 0 H ASP A 42 -20.384 -21.416 11.340 1.00 51.30 H new ATOM 0 HA ASP A 42 -22.426 -22.241 9.506 1.00 11.42 H new ATOM 0 HB2 ASP A 42 -20.256 -23.379 9.646 1.00 70.44 H new ATOM 0 HB3 ASP A 42 -20.518 -23.755 11.337 1.00 70.44 H new ATOM 647 N GLY A 43 -24.258 -23.262 10.895 1.00 43.50 N ATOM 648 CA GLY A 43 -25.443 -23.558 11.689 1.00 3.14 C ATOM 649 C GLY A 43 -26.563 -22.577 11.406 1.00 31.24 C ATOM 650 O GLY A 43 -27.678 -22.723 11.907 1.00 3.04 O ATOM 0 H GLY A 43 -24.364 -23.443 9.897 1.00 43.50 H new ATOM 0 HA2 GLY A 43 -25.783 -24.571 11.473 1.00 3.14 H new ATOM 0 HA3 GLY A 43 -25.189 -23.526 12.749 1.00 3.14 H new ATOM 654 N ARG A 44 -26.252 -21.572 10.596 1.00 4.12 N ATOM 655 CA ARG A 44 -27.208 -20.543 10.197 1.00 32.44 C ATOM 656 C ARG A 44 -27.590 -20.744 8.727 1.00 64.22 C ATOM 657 O ARG A 44 -26.948 -21.525 8.021 1.00 52.23 O ATOM 658 CB ARG A 44 -26.560 -19.167 10.426 1.00 0.23 C ATOM 659 CG ARG A 44 -27.372 -17.964 9.945 1.00 25.34 C ATOM 660 CD ARG A 44 -26.622 -16.665 10.214 1.00 30.41 C ATOM 661 NE ARG A 44 -27.284 -15.493 9.636 1.00 65.32 N ATOM 662 CZ ARG A 44 -27.080 -14.243 10.055 1.00 41.11 C ATOM 663 NH1 ARG A 44 -26.286 -14.005 11.092 1.00 33.33 N ATOM 664 NH2 ARG A 44 -27.671 -13.233 9.435 1.00 23.54 N ATOM 0 H ARG A 44 -25.323 -21.446 10.194 1.00 4.12 H new ATOM 0 HA ARG A 44 -28.120 -20.608 10.790 1.00 32.44 H new ATOM 0 HB2 ARG A 44 -26.368 -19.049 11.492 1.00 0.23 H new ATOM 0 HB3 ARG A 44 -25.593 -19.153 9.924 1.00 0.23 H new ATOM 0 HG2 ARG A 44 -27.574 -18.059 8.878 1.00 25.34 H new ATOM 0 HG3 ARG A 44 -28.337 -17.944 10.452 1.00 25.34 H new ATOM 0 HD2 ARG A 44 -26.522 -16.525 11.290 1.00 30.41 H new ATOM 0 HD3 ARG A 44 -25.613 -16.743 9.808 1.00 30.41 H new ATOM 0 HE ARG A 44 -27.939 -15.641 8.868 1.00 65.32 H new ATOM 0 HH11 ARG A 44 -25.829 -14.780 11.572 1.00 33.33 H new ATOM 0 HH12 ARG A 44 -26.133 -13.047 11.408 1.00 33.33 H new ATOM 0 HH21 ARG A 44 -28.282 -13.411 8.638 1.00 23.54 H new ATOM 0 HH22 ARG A 44 -27.516 -12.277 9.755 1.00 23.54 H new ATOM 678 N SER A 45 -28.648 -20.083 8.268 1.00 20.53 N ATOM 679 CA SER A 45 -29.018 -20.123 6.855 1.00 5.15 C ATOM 680 C SER A 45 -28.477 -18.894 6.123 1.00 72.32 C ATOM 681 O SER A 45 -28.866 -17.760 6.419 1.00 4.10 O ATOM 682 CB SER A 45 -30.543 -20.211 6.705 1.00 43.33 C ATOM 683 OG SER A 45 -31.064 -21.319 7.430 1.00 24.12 O ATOM 0 H SER A 45 -29.263 -19.515 8.850 1.00 20.53 H new ATOM 0 HA SER A 45 -28.574 -21.012 6.406 1.00 5.15 H new ATOM 0 HB2 SER A 45 -31.001 -19.289 7.064 1.00 43.33 H new ATOM 0 HB3 SER A 45 -30.803 -20.307 5.651 1.00 43.33 H new ATOM 0 HG SER A 45 -32.037 -21.353 7.321 1.00 24.12 H new ATOM 689 N LEU A 46 -27.559 -19.126 5.185 1.00 30.11 N ATOM 690 CA LEU A 46 -27.009 -18.053 4.361 1.00 41.30 C ATOM 691 C LEU A 46 -28.062 -17.522 3.391 1.00 52.25 C ATOM 692 O LEU A 46 -28.833 -18.294 2.813 1.00 65.25 O ATOM 693 CB LEU A 46 -25.765 -18.534 3.584 1.00 31.30 C ATOM 694 CG LEU A 46 -24.416 -18.235 4.258 1.00 40.51 C ATOM 695 CD1 LEU A 46 -23.257 -18.810 3.453 1.00 14.34 C ATOM 696 CD2 LEU A 46 -24.229 -16.730 4.454 1.00 11.43 C ATOM 0 H LEU A 46 -27.181 -20.050 4.977 1.00 30.11 H new ATOM 0 HA LEU A 46 -26.708 -17.244 5.026 1.00 41.30 H new ATOM 0 HB2 LEU A 46 -25.846 -19.610 3.431 1.00 31.30 H new ATOM 0 HB3 LEU A 46 -25.771 -18.070 2.598 1.00 31.30 H new ATOM 0 HG LEU A 46 -24.422 -18.716 5.236 1.00 40.51 H new ATOM 0 HD11 LEU A 46 -22.317 -18.582 3.955 1.00 14.34 H new ATOM 0 HD12 LEU A 46 -23.372 -19.891 3.371 1.00 14.34 H new ATOM 0 HD13 LEU A 46 -23.252 -18.369 2.456 1.00 14.34 H new ATOM 0 HD21 LEU A 46 -23.268 -16.542 4.932 1.00 11.43 H new ATOM 0 HD22 LEU A 46 -24.256 -16.231 3.485 1.00 11.43 H new ATOM 0 HD23 LEU A 46 -25.030 -16.343 5.084 1.00 11.43 H new ATOM 708 N PRO A 47 -28.116 -16.193 3.213 1.00 40.22 N ATOM 709 CA PRO A 47 -29.030 -15.571 2.258 1.00 35.22 C ATOM 710 C PRO A 47 -28.683 -15.947 0.811 1.00 3.22 C ATOM 711 O PRO A 47 -27.503 -15.975 0.427 1.00 43.43 O ATOM 712 CB PRO A 47 -28.870 -14.061 2.505 1.00 55.23 C ATOM 713 CG PRO A 47 -27.585 -13.897 3.253 1.00 33.22 C ATOM 714 CD PRO A 47 -27.295 -15.207 3.939 1.00 72.34 C ATOM 0 HA PRO A 47 -30.058 -15.905 2.396 1.00 35.22 H new ATOM 0 HB2 PRO A 47 -28.846 -13.513 1.563 1.00 55.23 H new ATOM 0 HB3 PRO A 47 -29.709 -13.669 3.080 1.00 55.23 H new ATOM 0 HG2 PRO A 47 -26.776 -13.632 2.573 1.00 33.22 H new ATOM 0 HG3 PRO A 47 -27.665 -13.091 3.982 1.00 33.22 H new ATOM 0 HD2 PRO A 47 -26.235 -15.457 3.886 1.00 72.34 H new ATOM 0 HD3 PRO A 47 -27.561 -15.169 4.995 1.00 72.34 H new ATOM 722 N ALA A 48 -29.726 -16.249 0.029 1.00 24.10 N ATOM 723 CA ALA A 48 -29.583 -16.669 -1.364 1.00 45.31 C ATOM 724 C ALA A 48 -28.569 -15.801 -2.110 1.00 10.30 C ATOM 725 O ALA A 48 -28.684 -14.570 -2.132 1.00 50.42 O ATOM 726 CB ALA A 48 -30.939 -16.627 -2.064 1.00 71.43 C ATOM 0 H ALA A 48 -30.694 -16.208 0.348 1.00 24.10 H new ATOM 0 HA ALA A 48 -29.208 -17.693 -1.371 1.00 45.31 H new ATOM 0 HB1 ALA A 48 -30.823 -16.941 -3.101 1.00 71.43 H new ATOM 0 HB2 ALA A 48 -31.631 -17.299 -1.557 1.00 71.43 H new ATOM 0 HB3 ALA A 48 -31.332 -15.611 -2.035 1.00 71.43 H new ATOM 732 N GLY A 49 -27.574 -16.454 -2.702 1.00 61.20 N ATOM 733 CA GLY A 49 -26.522 -15.754 -3.417 1.00 60.31 C ATOM 734 C GLY A 49 -25.172 -15.946 -2.759 1.00 71.01 C ATOM 735 O GLY A 49 -24.144 -16.018 -3.440 1.00 13.20 O ATOM 0 H GLY A 49 -27.477 -17.469 -2.698 1.00 61.20 H new ATOM 0 HA2 GLY A 49 -26.480 -16.113 -4.445 1.00 60.31 H new ATOM 0 HA3 GLY A 49 -26.757 -14.691 -3.461 1.00 60.31 H new ATOM 739 N TRP A 50 -25.174 -16.040 -1.431 1.00 52.24 N ATOM 740 CA TRP A 50 -23.940 -16.232 -0.673 1.00 31.12 C ATOM 741 C TRP A 50 -23.478 -17.685 -0.752 1.00 32.34 C ATOM 742 O TRP A 50 -24.291 -18.609 -0.681 1.00 34.24 O ATOM 743 CB TRP A 50 -24.138 -15.827 0.791 1.00 51.44 C ATOM 744 CG TRP A 50 -24.280 -14.345 0.989 1.00 52.31 C ATOM 745 CD1 TRP A 50 -25.327 -13.560 0.599 1.00 43.21 C ATOM 746 CD2 TRP A 50 -23.344 -13.473 1.633 1.00 52.50 C ATOM 747 NE1 TRP A 50 -25.097 -12.255 0.960 1.00 1.04 N ATOM 748 CE2 TRP A 50 -23.886 -12.177 1.594 1.00 0.44 C ATOM 749 CE3 TRP A 50 -22.097 -13.665 2.237 1.00 71.24 C ATOM 750 CZ2 TRP A 50 -23.227 -11.076 2.138 1.00 41.50 C ATOM 751 CZ3 TRP A 50 -21.444 -12.573 2.777 1.00 43.03 C ATOM 752 CH2 TRP A 50 -22.010 -11.292 2.724 1.00 53.43 C ATOM 0 H TRP A 50 -26.016 -15.986 -0.858 1.00 52.24 H new ATOM 0 HA TRP A 50 -23.172 -15.596 -1.114 1.00 31.12 H new ATOM 0 HB2 TRP A 50 -25.026 -16.324 1.180 1.00 51.44 H new ATOM 0 HB3 TRP A 50 -23.291 -16.184 1.376 1.00 51.44 H new ATOM 0 HD1 TRP A 50 -26.207 -13.914 0.082 1.00 43.21 H new ATOM 0 HE1 TRP A 50 -25.726 -11.471 0.784 1.00 1.04 H new ATOM 0 HE3 TRP A 50 -21.653 -14.648 2.281 1.00 71.24 H new ATOM 0 HZ2 TRP A 50 -23.661 -10.088 2.098 1.00 41.50 H new ATOM 0 HZ3 TRP A 50 -20.482 -12.709 3.248 1.00 43.03 H new ATOM 0 HH2 TRP A 50 -21.475 -10.459 3.154 1.00 53.43 H new ATOM 763 N GLU A 51 -22.170 -17.881 -0.888 1.00 31.52 N ATOM 764 CA GLU A 51 -21.598 -19.217 -1.002 1.00 65.54 C ATOM 765 C GLU A 51 -20.495 -19.419 0.034 1.00 44.41 C ATOM 766 O GLU A 51 -19.866 -18.448 0.497 1.00 23.22 O ATOM 767 CB GLU A 51 -21.038 -19.455 -2.411 1.00 21.21 C ATOM 768 CG GLU A 51 -19.832 -18.587 -2.747 1.00 31.04 C ATOM 769 CD GLU A 51 -19.299 -18.829 -4.148 1.00 61.44 C ATOM 770 OE1 GLU A 51 -19.865 -18.267 -5.110 1.00 2.31 O ATOM 771 OE2 GLU A 51 -18.310 -19.577 -4.292 1.00 74.23 O ATOM 0 H GLU A 51 -21.484 -17.127 -0.922 1.00 31.52 H new ATOM 0 HA GLU A 51 -22.394 -19.938 -0.817 1.00 65.54 H new ATOM 0 HB2 GLU A 51 -20.758 -20.504 -2.508 1.00 21.21 H new ATOM 0 HB3 GLU A 51 -21.825 -19.266 -3.141 1.00 21.21 H new ATOM 0 HG2 GLU A 51 -20.107 -17.537 -2.645 1.00 31.04 H new ATOM 0 HG3 GLU A 51 -19.039 -18.780 -2.024 1.00 31.04 H new ATOM 778 N THR A 52 -20.261 -20.692 0.353 1.00 32.54 N ATOM 779 CA THR A 52 -19.316 -21.104 1.384 1.00 63.35 C ATOM 780 C THR A 52 -18.029 -21.651 0.764 1.00 21.15 C ATOM 781 O THR A 52 -18.038 -22.163 -0.359 1.00 10.23 O ATOM 782 CB THR A 52 -19.938 -22.192 2.291 1.00 43.32 C ATOM 783 OG1 THR A 52 -20.480 -23.253 1.487 1.00 14.24 O ATOM 784 CG2 THR A 52 -21.036 -21.613 3.178 1.00 41.04 C ATOM 0 H THR A 52 -20.730 -21.474 -0.105 1.00 32.54 H new ATOM 0 HA THR A 52 -19.079 -20.223 1.980 1.00 63.35 H new ATOM 0 HB THR A 52 -19.148 -22.584 2.932 1.00 43.32 H new ATOM 0 HG1 THR A 52 -20.870 -23.938 2.069 1.00 14.24 H new ATOM 0 HG21 THR A 52 -21.453 -22.403 3.803 1.00 41.04 H new ATOM 0 HG22 THR A 52 -20.617 -20.831 3.812 1.00 41.04 H new ATOM 0 HG23 THR A 52 -21.823 -21.191 2.554 1.00 41.04 H new ATOM 792 N VAL A 53 -16.933 -21.538 1.510 1.00 23.41 N ATOM 793 CA VAL A 53 -15.615 -21.999 1.079 1.00 22.34 C ATOM 794 C VAL A 53 -14.692 -22.154 2.292 1.00 44.25 C ATOM 795 O VAL A 53 -14.953 -21.599 3.374 1.00 74.21 O ATOM 796 CB VAL A 53 -14.938 -21.046 0.031 1.00 51.30 C ATOM 797 CG1 VAL A 53 -14.921 -21.686 -1.359 1.00 62.24 C ATOM 798 CG2 VAL A 53 -15.624 -19.679 -0.030 1.00 31.43 C ATOM 0 H VAL A 53 -16.934 -21.120 2.440 1.00 23.41 H new ATOM 0 HA VAL A 53 -15.769 -22.960 0.589 1.00 22.34 H new ATOM 0 HB VAL A 53 -13.912 -20.890 0.363 1.00 51.30 H new ATOM 0 HG11 VAL A 53 -14.447 -21.006 -2.067 1.00 62.24 H new ATOM 0 HG12 VAL A 53 -14.361 -22.620 -1.323 1.00 62.24 H new ATOM 0 HG13 VAL A 53 -15.943 -21.888 -1.679 1.00 62.24 H new ATOM 0 HG21 VAL A 53 -15.122 -19.053 -0.768 1.00 31.43 H new ATOM 0 HG22 VAL A 53 -16.668 -19.808 -0.314 1.00 31.43 H new ATOM 0 HG23 VAL A 53 -15.570 -19.201 0.948 1.00 31.43 H new ATOM 808 N GLY A 54 -13.617 -22.909 2.097 1.00 3.04 N ATOM 809 CA GLY A 54 -12.665 -23.162 3.155 1.00 22.23 C ATOM 810 C GLY A 54 -12.980 -24.434 3.906 1.00 33.01 C ATOM 811 O GLY A 54 -13.672 -25.315 3.386 1.00 72.20 O ATOM 0 H GLY A 54 -13.388 -23.356 1.209 1.00 3.04 H new ATOM 0 HA2 GLY A 54 -11.662 -23.229 2.732 1.00 22.23 H new ATOM 0 HA3 GLY A 54 -12.663 -22.322 3.849 1.00 22.23 H new ATOM 815 N GLU A 55 -12.456 -24.537 5.115 1.00 4.43 N ATOM 816 CA GLU A 55 -12.721 -25.648 5.995 1.00 31.03 C ATOM 817 C GLU A 55 -13.587 -25.172 7.162 1.00 24.14 C ATOM 818 O GLU A 55 -13.370 -24.079 7.690 1.00 23.13 O ATOM 819 CB GLU A 55 -11.391 -26.228 6.503 1.00 24.22 C ATOM 820 CG GLU A 55 -10.548 -25.281 7.368 1.00 31.31 C ATOM 821 CD GLU A 55 -9.889 -24.159 6.574 1.00 15.13 C ATOM 822 OE1 GLU A 55 -8.791 -24.385 6.023 1.00 54.04 O ATOM 823 OE2 GLU A 55 -10.473 -23.057 6.493 1.00 72.41 O ATOM 0 H GLU A 55 -11.827 -23.839 5.513 1.00 4.43 H new ATOM 0 HA GLU A 55 -13.257 -26.431 5.458 1.00 31.03 H new ATOM 0 HB2 GLU A 55 -11.603 -27.128 7.080 1.00 24.22 H new ATOM 0 HB3 GLU A 55 -10.795 -26.534 5.643 1.00 24.22 H new ATOM 0 HG2 GLU A 55 -11.182 -24.845 8.140 1.00 31.31 H new ATOM 0 HG3 GLU A 55 -9.776 -25.857 7.877 1.00 31.31 H new ATOM 830 N PRO A 56 -14.609 -25.953 7.567 1.00 15.13 N ATOM 831 CA PRO A 56 -15.437 -25.589 8.714 1.00 1.52 C ATOM 832 C PRO A 56 -14.632 -25.690 10.005 1.00 72.40 C ATOM 833 O PRO A 56 -14.187 -26.776 10.388 1.00 53.12 O ATOM 834 CB PRO A 56 -16.576 -26.612 8.676 1.00 31.21 C ATOM 835 CG PRO A 56 -15.993 -27.793 7.982 1.00 3.01 C ATOM 836 CD PRO A 56 -15.049 -27.227 6.956 1.00 64.45 C ATOM 0 HA PRO A 56 -15.803 -24.563 8.676 1.00 1.52 H new ATOM 0 HB2 PRO A 56 -16.913 -26.868 9.680 1.00 31.21 H new ATOM 0 HB3 PRO A 56 -17.441 -26.223 8.139 1.00 31.21 H new ATOM 0 HG2 PRO A 56 -15.468 -28.441 8.683 1.00 3.01 H new ATOM 0 HG3 PRO A 56 -16.770 -28.395 7.511 1.00 3.01 H new ATOM 0 HD2 PRO A 56 -14.209 -27.896 6.770 1.00 64.45 H new ATOM 0 HD3 PRO A 56 -15.545 -27.064 5.999 1.00 64.45 H new ATOM 844 N ALA A 57 -14.450 -24.558 10.670 1.00 33.55 N ATOM 845 CA ALA A 57 -13.520 -24.473 11.794 1.00 55.44 C ATOM 846 C ALA A 57 -13.813 -23.238 12.626 1.00 31.23 C ATOM 847 O ALA A 57 -14.578 -22.386 12.205 1.00 52.10 O ATOM 848 CB ALA A 57 -12.077 -24.455 11.289 1.00 52.45 C ATOM 0 H ALA A 57 -14.932 -23.685 10.453 1.00 33.55 H new ATOM 0 HA ALA A 57 -13.651 -25.352 12.425 1.00 55.44 H new ATOM 0 HB1 ALA A 57 -11.395 -24.391 12.137 1.00 52.45 H new ATOM 0 HB2 ALA A 57 -11.876 -25.369 10.730 1.00 52.45 H new ATOM 0 HB3 ALA A 57 -11.930 -23.592 10.640 1.00 52.45 H new ATOM 854 N THR A 58 -13.199 -23.139 13.793 1.00 61.34 N ATOM 855 CA THR A 58 -13.460 -22.025 14.696 1.00 41.54 C ATOM 856 C THR A 58 -13.215 -20.685 14.000 1.00 53.23 C ATOM 857 O THR A 58 -12.401 -20.602 13.074 1.00 72.34 O ATOM 858 CB THR A 58 -12.575 -22.114 15.961 1.00 32.00 C ATOM 859 OG1 THR A 58 -11.195 -21.914 15.630 1.00 12.31 O ATOM 860 CG2 THR A 58 -12.724 -23.467 16.636 1.00 4.31 C ATOM 0 H THR A 58 -12.517 -23.814 14.139 1.00 61.34 H new ATOM 0 HA THR A 58 -14.508 -22.087 14.991 1.00 41.54 H new ATOM 0 HB THR A 58 -12.905 -21.331 16.644 1.00 32.00 H new ATOM 0 HG1 THR A 58 -10.652 -21.972 16.444 1.00 12.31 H new ATOM 0 HG21 THR A 58 -12.091 -23.503 17.523 1.00 4.31 H new ATOM 0 HG22 THR A 58 -13.764 -23.616 16.926 1.00 4.31 H new ATOM 0 HG23 THR A 58 -12.424 -24.254 15.944 1.00 4.31 H new ATOM 868 N LYS A 59 -13.926 -19.647 14.448 1.00 20.01 N ATOM 869 CA LYS A 59 -13.729 -18.285 13.944 1.00 44.32 C ATOM 870 C LYS A 59 -12.240 -17.983 13.815 1.00 75.31 C ATOM 871 O LYS A 59 -11.787 -17.402 12.824 1.00 55.41 O ATOM 872 CB LYS A 59 -14.384 -17.279 14.903 1.00 22.43 C ATOM 873 CG LYS A 59 -14.025 -15.817 14.640 1.00 75.31 C ATOM 874 CD LYS A 59 -14.629 -15.291 13.343 1.00 22.03 C ATOM 875 CE LYS A 59 -14.324 -13.808 13.146 1.00 60.14 C ATOM 876 NZ LYS A 59 -14.775 -12.983 14.301 1.00 44.44 N ATOM 0 H LYS A 59 -14.648 -19.725 15.164 1.00 20.01 H new ATOM 0 HA LYS A 59 -14.192 -18.200 12.961 1.00 44.32 H new ATOM 0 HB2 LYS A 59 -15.467 -17.390 14.840 1.00 22.43 H new ATOM 0 HB3 LYS A 59 -14.097 -17.531 15.924 1.00 22.43 H new ATOM 0 HG2 LYS A 59 -14.372 -15.206 15.473 1.00 75.31 H new ATOM 0 HG3 LYS A 59 -12.941 -15.714 14.600 1.00 75.31 H new ATOM 0 HD2 LYS A 59 -14.236 -15.860 12.500 1.00 22.03 H new ATOM 0 HD3 LYS A 59 -15.708 -15.443 13.355 1.00 22.03 H new ATOM 0 HE2 LYS A 59 -13.252 -13.675 13.003 1.00 60.14 H new ATOM 0 HE3 LYS A 59 -14.812 -13.456 12.237 1.00 60.14 H new ATOM 0 HZ1 LYS A 59 -14.785 -11.980 14.028 1.00 44.44 H new ATOM 0 HZ2 LYS A 59 -15.733 -13.275 14.583 1.00 44.44 H new ATOM 0 HZ3 LYS A 59 -14.123 -13.118 15.100 1.00 44.44 H new ATOM 890 N GLN A 60 -11.496 -18.423 14.823 1.00 12.52 N ATOM 891 CA GLN A 60 -10.050 -18.251 14.878 1.00 60.11 C ATOM 892 C GLN A 60 -9.367 -18.854 13.650 1.00 73.42 C ATOM 893 O GLN A 60 -8.600 -18.178 12.969 1.00 12.21 O ATOM 894 CB GLN A 60 -9.514 -18.900 16.164 1.00 71.20 C ATOM 895 CG GLN A 60 -7.998 -19.031 16.226 1.00 21.32 C ATOM 896 CD GLN A 60 -7.531 -19.693 17.511 1.00 4.32 C ATOM 897 OE1 GLN A 60 -7.236 -19.019 18.500 1.00 72.30 O ATOM 898 NE2 GLN A 60 -7.483 -21.018 17.515 1.00 42.31 N ATOM 0 H GLN A 60 -11.882 -18.912 15.630 1.00 12.52 H new ATOM 0 HA GLN A 60 -9.825 -17.184 14.883 1.00 60.11 H new ATOM 0 HB2 GLN A 60 -9.850 -18.312 17.019 1.00 71.20 H new ATOM 0 HB3 GLN A 60 -9.955 -19.891 16.266 1.00 71.20 H new ATOM 0 HG2 GLN A 60 -7.650 -19.613 15.372 1.00 21.32 H new ATOM 0 HG3 GLN A 60 -7.546 -18.043 16.143 1.00 21.32 H new ATOM 0 HE21 GLN A 60 -7.735 -21.540 16.676 1.00 42.31 H new ATOM 0 HE22 GLN A 60 -7.194 -21.515 18.357 1.00 42.31 H new ATOM 907 N GLN A 61 -9.666 -20.116 13.360 1.00 11.51 N ATOM 908 CA GLN A 61 -9.003 -20.827 12.268 1.00 25.23 C ATOM 909 C GLN A 61 -9.468 -20.292 10.911 1.00 25.12 C ATOM 910 O GLN A 61 -8.661 -20.085 10.000 1.00 72.45 O ATOM 911 CB GLN A 61 -9.270 -22.335 12.377 1.00 32.13 C ATOM 912 CG GLN A 61 -8.960 -22.927 13.755 1.00 4.10 C ATOM 913 CD GLN A 61 -7.491 -22.855 14.153 1.00 71.32 C ATOM 914 OE1 GLN A 61 -6.754 -21.965 13.740 1.00 3.32 O ATOM 915 NE2 GLN A 61 -7.063 -23.780 14.998 1.00 15.31 N ATOM 0 H GLN A 61 -10.361 -20.668 13.863 1.00 11.51 H new ATOM 0 HA GLN A 61 -7.929 -20.658 12.347 1.00 25.23 H new ATOM 0 HB2 GLN A 61 -10.316 -22.526 12.138 1.00 32.13 H new ATOM 0 HB3 GLN A 61 -8.672 -22.854 11.628 1.00 32.13 H new ATOM 0 HG2 GLN A 61 -9.553 -22.403 14.504 1.00 4.10 H new ATOM 0 HG3 GLN A 61 -9.277 -23.970 13.769 1.00 4.10 H new ATOM 0 HE21 GLN A 61 -7.700 -24.507 15.323 1.00 15.31 H new ATOM 0 HE22 GLN A 61 -6.096 -23.765 15.324 1.00 15.31 H new ATOM 924 N CYS A 62 -10.767 -20.040 10.789 1.00 12.43 N ATOM 925 CA CYS A 62 -11.337 -19.548 9.539 1.00 63.15 C ATOM 926 C CYS A 62 -10.724 -18.200 9.144 1.00 45.14 C ATOM 927 O CYS A 62 -10.350 -18.002 7.983 1.00 24.33 O ATOM 928 CB CYS A 62 -12.860 -19.450 9.652 1.00 43.44 C ATOM 929 SG CYS A 62 -13.660 -21.041 9.955 1.00 5.43 S ATOM 0 H CYS A 62 -11.445 -20.168 11.540 1.00 12.43 H new ATOM 0 HA CYS A 62 -11.097 -20.260 8.749 1.00 63.15 H new ATOM 0 HB2 CYS A 62 -13.114 -18.764 10.460 1.00 43.44 H new ATOM 0 HB3 CYS A 62 -13.258 -19.020 8.733 1.00 43.44 H new ATOM 0 HG CYS A 62 -13.841 -21.199 11.233 1.00 5.43 H new ATOM 935 N LEU A 63 -10.613 -17.268 10.098 1.00 32.10 N ATOM 936 CA LEU A 63 -9.961 -15.987 9.813 1.00 54.21 C ATOM 937 C LEU A 63 -8.468 -16.218 9.576 1.00 45.12 C ATOM 938 O LEU A 63 -7.858 -15.587 8.711 1.00 0.30 O ATOM 939 CB LEU A 63 -10.220 -14.951 10.937 1.00 51.43 C ATOM 940 CG LEU A 63 -9.527 -15.185 12.298 1.00 12.23 C ATOM 941 CD1 LEU A 63 -8.090 -14.649 12.290 1.00 32.23 C ATOM 942 CD2 LEU A 63 -10.336 -14.542 13.426 1.00 43.32 C ATOM 0 H LEU A 63 -10.958 -17.373 11.052 1.00 32.10 H new ATOM 0 HA LEU A 63 -10.393 -15.564 8.906 1.00 54.21 H new ATOM 0 HB2 LEU A 63 -9.915 -13.972 10.568 1.00 51.43 H new ATOM 0 HB3 LEU A 63 -11.295 -14.905 11.111 1.00 51.43 H new ATOM 0 HG LEU A 63 -9.480 -16.260 12.472 1.00 12.23 H new ATOM 0 HD11 LEU A 63 -7.629 -14.829 13.261 1.00 32.23 H new ATOM 0 HD12 LEU A 63 -7.516 -15.159 11.516 1.00 32.23 H new ATOM 0 HD13 LEU A 63 -8.102 -13.578 12.087 1.00 32.23 H new ATOM 0 HD21 LEU A 63 -9.835 -14.716 14.378 1.00 43.32 H new ATOM 0 HD22 LEU A 63 -10.418 -13.470 13.249 1.00 43.32 H new ATOM 0 HD23 LEU A 63 -11.333 -14.982 13.455 1.00 43.32 H new ATOM 954 N GLN A 64 -7.907 -17.164 10.333 1.00 23.35 N ATOM 955 CA GLN A 64 -6.501 -17.549 10.211 1.00 61.05 C ATOM 956 C GLN A 64 -6.202 -18.020 8.791 1.00 42.03 C ATOM 957 O GLN A 64 -5.095 -17.858 8.283 1.00 43.03 O ATOM 958 CB GLN A 64 -6.178 -18.663 11.213 1.00 61.12 C ATOM 959 CG GLN A 64 -4.699 -19.010 11.315 1.00 33.54 C ATOM 960 CD GLN A 64 -4.459 -20.226 12.191 1.00 74.01 C ATOM 961 OE1 GLN A 64 -4.392 -21.356 11.708 1.00 25.14 O ATOM 962 NE2 GLN A 64 -4.355 -20.009 13.492 1.00 60.21 N ATOM 0 H GLN A 64 -8.416 -17.684 11.048 1.00 23.35 H new ATOM 0 HA GLN A 64 -5.878 -16.681 10.429 1.00 61.05 H new ATOM 0 HB2 GLN A 64 -6.537 -18.364 12.198 1.00 61.12 H new ATOM 0 HB3 GLN A 64 -6.730 -19.560 10.931 1.00 61.12 H new ATOM 0 HG2 GLN A 64 -4.301 -19.198 10.318 1.00 33.54 H new ATOM 0 HG3 GLN A 64 -4.154 -18.158 11.721 1.00 33.54 H new ATOM 0 HE21 GLN A 64 -4.415 -19.058 13.857 1.00 60.21 H new ATOM 0 HE22 GLN A 64 -4.214 -20.792 14.130 1.00 60.21 H new ATOM 971 N ARG A 65 -7.203 -18.614 8.158 1.00 40.34 N ATOM 972 CA ARG A 65 -7.058 -19.089 6.793 1.00 13.52 C ATOM 973 C ARG A 65 -6.855 -17.920 5.827 1.00 14.24 C ATOM 974 O ARG A 65 -5.884 -17.884 5.069 1.00 44.41 O ATOM 975 CB ARG A 65 -8.299 -19.885 6.364 1.00 2.22 C ATOM 976 CG ARG A 65 -8.234 -20.332 4.910 1.00 23.32 C ATOM 977 CD ARG A 65 -9.561 -20.866 4.397 1.00 54.45 C ATOM 978 NE ARG A 65 -9.469 -21.202 2.977 1.00 65.22 N ATOM 979 CZ ARG A 65 -10.387 -20.908 2.063 1.00 14.34 C ATOM 980 NH1 ARG A 65 -11.512 -20.291 2.409 1.00 74.43 N ATOM 981 NH2 ARG A 65 -10.178 -21.249 0.806 1.00 73.25 N ATOM 0 H ARG A 65 -8.122 -18.778 8.568 1.00 40.34 H new ATOM 0 HA ARG A 65 -6.182 -19.736 6.760 1.00 13.52 H new ATOM 0 HB2 ARG A 65 -8.404 -20.760 7.005 1.00 2.22 H new ATOM 0 HB3 ARG A 65 -9.188 -19.272 6.513 1.00 2.22 H new ATOM 0 HG2 ARG A 65 -7.922 -19.491 4.290 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -7.472 -21.105 4.806 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -9.848 -21.750 4.967 1.00 54.45 H new ATOM 0 HD3 ARG A 65 -10.342 -20.121 4.550 1.00 54.45 H new ATOM 0 HE ARG A 65 -8.636 -21.700 2.664 1.00 65.22 H new ATOM 0 HH11 ARG A 65 -11.676 -20.039 3.384 1.00 74.43 H new ATOM 0 HH12 ARG A 65 -12.211 -20.069 1.700 1.00 74.43 H new ATOM 0 HH21 ARG A 65 -9.319 -21.733 0.545 1.00 73.25 H new ATOM 0 HH22 ARG A 65 -10.875 -21.029 0.095 1.00 73.25 H new ATOM 995 N ILE A 66 -7.761 -16.949 5.877 1.00 5.32 N ATOM 996 CA ILE A 66 -7.776 -15.869 4.892 1.00 74.32 C ATOM 997 C ILE A 66 -6.636 -14.872 5.101 1.00 34.13 C ATOM 998 O ILE A 66 -6.127 -14.310 4.127 1.00 70.50 O ATOM 999 CB ILE A 66 -9.138 -15.131 4.841 1.00 74.43 C ATOM 1000 CG1 ILE A 66 -9.592 -14.695 6.241 1.00 1.20 C ATOM 1001 CG2 ILE A 66 -10.196 -16.020 4.189 1.00 14.24 C ATOM 1002 CD1 ILE A 66 -10.852 -13.848 6.229 1.00 42.21 C ATOM 0 H ILE A 66 -8.492 -16.886 6.585 1.00 5.32 H new ATOM 0 HA ILE A 66 -7.624 -16.352 3.927 1.00 74.32 H new ATOM 0 HB ILE A 66 -9.011 -14.232 4.239 1.00 74.43 H new ATOM 0 HG12 ILE A 66 -9.765 -15.581 6.851 1.00 1.20 H new ATOM 0 HG13 ILE A 66 -8.789 -14.132 6.716 1.00 1.20 H new ATOM 0 HG21 ILE A 66 -11.148 -15.490 4.159 1.00 14.24 H new ATOM 0 HG22 ILE A 66 -9.887 -16.268 3.174 1.00 14.24 H new ATOM 0 HG23 ILE A 66 -10.309 -16.936 4.768 1.00 14.24 H new ATOM 0 HD11 ILE A 66 -11.117 -13.575 7.251 1.00 42.21 H new ATOM 0 HD12 ILE A 66 -10.677 -12.944 5.645 1.00 42.21 H new ATOM 0 HD13 ILE A 66 -11.668 -14.416 5.782 1.00 42.21 H new ATOM 1014 N GLU A 67 -6.228 -14.657 6.353 1.00 53.30 N ATOM 1015 CA GLU A 67 -5.091 -13.770 6.642 1.00 71.01 C ATOM 1016 C GLU A 67 -3.837 -14.277 5.922 1.00 51.43 C ATOM 1017 O GLU A 67 -2.992 -13.496 5.498 1.00 55.34 O ATOM 1018 CB GLU A 67 -4.828 -13.666 8.150 1.00 61.10 C ATOM 1019 CG GLU A 67 -4.543 -14.996 8.824 1.00 14.42 C ATOM 1020 CD GLU A 67 -4.121 -14.854 10.277 1.00 33.42 C ATOM 1021 OE1 GLU A 67 -4.797 -14.125 11.033 1.00 24.22 O ATOM 1022 OE2 GLU A 67 -3.114 -15.482 10.667 1.00 43.23 O ATOM 0 H GLU A 67 -6.659 -15.077 7.176 1.00 53.30 H new ATOM 0 HA GLU A 67 -5.340 -12.773 6.278 1.00 71.01 H new ATOM 0 HB2 GLU A 67 -3.982 -12.999 8.315 1.00 61.10 H new ATOM 0 HB3 GLU A 67 -5.694 -13.207 8.628 1.00 61.10 H new ATOM 0 HG2 GLU A 67 -5.434 -15.621 8.771 1.00 14.42 H new ATOM 0 HG3 GLU A 67 -3.758 -15.514 8.273 1.00 14.42 H new ATOM 1029 N GLN A 68 -3.741 -15.600 5.782 1.00 2.11 N ATOM 1030 CA GLN A 68 -2.589 -16.244 5.143 1.00 35.25 C ATOM 1031 C GLN A 68 -2.780 -16.352 3.622 1.00 3.20 C ATOM 1032 O GLN A 68 -1.861 -16.751 2.901 1.00 2.44 O ATOM 1033 CB GLN A 68 -2.384 -17.648 5.735 1.00 75.11 C ATOM 1034 CG GLN A 68 -2.247 -17.671 7.257 1.00 72.43 C ATOM 1035 CD GLN A 68 -0.974 -17.015 7.757 1.00 64.25 C ATOM 1036 OE1 GLN A 68 0.064 -17.057 7.094 1.00 23.20 O ATOM 1037 NE2 GLN A 68 -1.043 -16.405 8.926 1.00 13.54 N ATOM 0 H GLN A 68 -4.454 -16.253 6.106 1.00 2.11 H new ATOM 0 HA GLN A 68 -1.710 -15.628 5.334 1.00 35.25 H new ATOM 0 HB2 GLN A 68 -3.226 -18.278 5.447 1.00 75.11 H new ATOM 0 HB3 GLN A 68 -1.490 -18.089 5.294 1.00 75.11 H new ATOM 0 HG2 GLN A 68 -3.105 -17.165 7.699 1.00 72.43 H new ATOM 0 HG3 GLN A 68 -2.274 -18.705 7.601 1.00 72.43 H new ATOM 0 HE21 GLN A 68 -1.922 -16.393 9.444 1.00 13.54 H new ATOM 0 HE22 GLN A 68 -0.218 -15.946 9.311 1.00 13.54 H new ATOM 1046 N LEU A 69 -3.985 -16.046 3.150 1.00 70.13 N ATOM 1047 CA LEU A 69 -4.328 -16.162 1.728 1.00 22.31 C ATOM 1048 C LEU A 69 -4.361 -14.797 1.044 1.00 33.43 C ATOM 1049 O LEU A 69 -3.574 -14.505 0.148 1.00 63.24 O ATOM 1050 CB LEU A 69 -5.677 -16.878 1.546 1.00 23.42 C ATOM 1051 CG LEU A 69 -5.696 -18.369 1.931 1.00 43.12 C ATOM 1052 CD1 LEU A 69 -7.074 -18.976 1.670 1.00 35.21 C ATOM 1053 CD2 LEU A 69 -4.617 -19.142 1.172 1.00 42.22 C ATOM 0 H LEU A 69 -4.751 -15.712 3.735 1.00 70.13 H new ATOM 0 HA LEU A 69 -3.547 -16.758 1.255 1.00 22.31 H new ATOM 0 HB2 LEU A 69 -6.427 -16.358 2.141 1.00 23.42 H new ATOM 0 HB3 LEU A 69 -5.979 -16.787 0.503 1.00 23.42 H new ATOM 0 HG LEU A 69 -5.482 -18.445 2.997 1.00 43.12 H new ATOM 0 HD11 LEU A 69 -7.066 -20.030 1.949 1.00 35.21 H new ATOM 0 HD12 LEU A 69 -7.822 -18.449 2.263 1.00 35.21 H new ATOM 0 HD13 LEU A 69 -7.318 -18.882 0.612 1.00 35.21 H new ATOM 0 HD21 LEU A 69 -4.651 -20.192 1.461 1.00 42.22 H new ATOM 0 HD22 LEU A 69 -4.793 -19.055 0.100 1.00 42.22 H new ATOM 0 HD23 LEU A 69 -3.637 -18.731 1.413 1.00 42.22 H new ATOM 1065 N TRP A 70 -5.317 -13.977 1.469 1.00 4.00 N ATOM 1066 CA TRP A 70 -5.566 -12.673 0.859 1.00 33.32 C ATOM 1067 C TRP A 70 -4.655 -11.608 1.466 1.00 14.11 C ATOM 1068 O TRP A 70 -4.098 -10.770 0.759 1.00 5.44 O ATOM 1069 CB TRP A 70 -7.047 -12.300 1.057 1.00 44.12 C ATOM 1070 CG TRP A 70 -7.431 -10.947 0.523 1.00 4.32 C ATOM 1071 CD1 TRP A 70 -7.224 -10.472 -0.739 1.00 43.22 C ATOM 1072 CD2 TRP A 70 -8.105 -9.902 1.235 1.00 25.42 C ATOM 1073 NE1 TRP A 70 -7.718 -9.197 -0.854 1.00 41.21 N ATOM 1074 CE2 TRP A 70 -8.265 -8.825 0.344 1.00 11.33 C ATOM 1075 CE3 TRP A 70 -8.585 -9.773 2.542 1.00 42.41 C ATOM 1076 CZ2 TRP A 70 -8.885 -7.635 0.718 1.00 23.42 C ATOM 1077 CZ3 TRP A 70 -9.201 -8.592 2.911 1.00 45.11 C ATOM 1078 CH2 TRP A 70 -9.347 -7.536 2.003 1.00 22.44 C ATOM 0 H TRP A 70 -5.941 -14.196 2.245 1.00 4.00 H new ATOM 0 HA TRP A 70 -5.346 -12.726 -0.207 1.00 33.32 H new ATOM 0 HB2 TRP A 70 -7.666 -13.056 0.573 1.00 44.12 H new ATOM 0 HB3 TRP A 70 -7.277 -12.334 2.122 1.00 44.12 H new ATOM 0 HD1 TRP A 70 -6.741 -11.021 -1.534 1.00 43.22 H new ATOM 0 HE1 TRP A 70 -7.683 -8.621 -1.695 1.00 41.21 H new ATOM 0 HE3 TRP A 70 -8.476 -10.581 3.250 1.00 42.41 H new ATOM 0 HZ2 TRP A 70 -8.997 -6.819 0.019 1.00 23.42 H new ATOM 0 HZ3 TRP A 70 -9.576 -8.482 3.918 1.00 45.11 H new ATOM 0 HH2 TRP A 70 -9.833 -6.626 2.322 1.00 22.44 H new ATOM 1089 N THR A 71 -4.520 -11.647 2.780 1.00 54.12 N ATOM 1090 CA THR A 71 -3.743 -10.662 3.523 1.00 14.01 C ATOM 1091 C THR A 71 -2.254 -11.043 3.616 1.00 15.51 C ATOM 1092 O THR A 71 -1.422 -10.210 3.978 1.00 20.13 O ATOM 1093 CB THR A 71 -4.331 -10.465 4.935 1.00 13.44 C ATOM 1094 OG1 THR A 71 -5.753 -10.664 4.898 1.00 21.02 O ATOM 1095 CG2 THR A 71 -4.042 -9.059 5.454 1.00 55.35 C ATOM 0 H THR A 71 -4.947 -12.364 3.367 1.00 54.12 H new ATOM 0 HA THR A 71 -3.805 -9.723 2.972 1.00 14.01 H new ATOM 0 HB THR A 71 -3.866 -11.191 5.602 1.00 13.44 H new ATOM 0 HG1 THR A 71 -6.124 -10.540 5.796 1.00 21.02 H new ATOM 0 HG21 THR A 71 -4.467 -8.945 6.451 1.00 55.35 H new ATOM 0 HG22 THR A 71 -2.964 -8.902 5.498 1.00 55.35 H new ATOM 0 HG23 THR A 71 -4.488 -8.325 4.783 1.00 55.35 H new ATOM 1103 N ASP A 72 -1.934 -12.282 3.223 1.00 23.54 N ATOM 1104 CA ASP A 72 -0.655 -12.951 3.561 1.00 73.31 C ATOM 1105 C ASP A 72 0.592 -12.058 3.490 1.00 64.32 C ATOM 1106 O ASP A 72 1.457 -12.163 4.362 1.00 42.51 O ATOM 1107 CB ASP A 72 -0.425 -14.138 2.615 1.00 14.44 C ATOM 1108 CG ASP A 72 0.033 -13.709 1.224 1.00 72.24 C ATOM 1109 OD1 ASP A 72 -0.698 -12.947 0.558 1.00 35.04 O ATOM 1110 OD2 ASP A 72 1.139 -14.116 0.799 1.00 33.45 O ATOM 0 H ASP A 72 -2.555 -12.860 2.657 1.00 23.54 H new ATOM 0 HA ASP A 72 -0.771 -13.254 4.601 1.00 73.31 H new ATOM 0 HB2 ASP A 72 0.322 -14.802 3.049 1.00 14.44 H new ATOM 0 HB3 ASP A 72 -1.348 -14.710 2.527 1.00 14.44 H new ATOM 1115 N MET A 73 0.727 -11.222 2.458 1.00 3.33 N ATOM 1116 CA MET A 73 1.926 -10.384 2.342 1.00 42.30 C ATOM 1117 C MET A 73 1.974 -9.357 3.470 1.00 21.21 C ATOM 1118 O MET A 73 1.503 -8.226 3.333 1.00 61.04 O ATOM 1119 CB MET A 73 2.043 -9.693 0.972 1.00 75.02 C ATOM 1120 CG MET A 73 2.258 -10.658 -0.190 1.00 60.21 C ATOM 1121 SD MET A 73 3.212 -9.925 -1.541 1.00 34.12 S ATOM 1122 CE MET A 73 2.327 -8.393 -1.828 1.00 71.41 C ATOM 0 H MET A 73 0.044 -11.107 1.710 1.00 3.33 H new ATOM 0 HA MET A 73 2.784 -11.050 2.429 1.00 42.30 H new ATOM 0 HB2 MET A 73 1.137 -9.115 0.789 1.00 75.02 H new ATOM 0 HB3 MET A 73 2.872 -8.986 1.002 1.00 75.02 H new ATOM 0 HG2 MET A 73 2.774 -11.547 0.173 1.00 60.21 H new ATOM 0 HG3 MET A 73 1.290 -10.984 -0.570 1.00 60.21 H new ATOM 0 HE1 MET A 73 1.896 -8.404 -2.829 1.00 71.41 H new ATOM 0 HE2 MET A 73 1.531 -8.289 -1.091 1.00 71.41 H new ATOM 0 HE3 MET A 73 3.016 -7.553 -1.739 1.00 71.41 H new ATOM 1132 N VAL A 74 2.525 -9.797 4.589 1.00 33.41 N ATOM 1133 CA VAL A 74 2.666 -8.988 5.789 1.00 45.22 C ATOM 1134 C VAL A 74 3.814 -7.976 5.640 1.00 1.21 C ATOM 1135 O VAL A 74 4.833 -8.277 5.009 1.00 54.40 O ATOM 1136 CB VAL A 74 2.910 -9.913 7.018 1.00 10.10 C ATOM 1137 CG1 VAL A 74 4.090 -10.852 6.771 1.00 23.42 C ATOM 1138 CG2 VAL A 74 3.119 -9.110 8.303 1.00 71.12 C ATOM 0 H VAL A 74 2.893 -10.743 4.691 1.00 33.41 H new ATOM 0 HA VAL A 74 1.745 -8.426 5.941 1.00 45.22 H new ATOM 0 HB VAL A 74 2.011 -10.516 7.150 1.00 10.10 H new ATOM 0 HG11 VAL A 74 4.239 -11.487 7.644 1.00 23.42 H new ATOM 0 HG12 VAL A 74 3.883 -11.475 5.901 1.00 23.42 H new ATOM 0 HG13 VAL A 74 4.991 -10.265 6.591 1.00 23.42 H new ATOM 0 HG21 VAL A 74 3.286 -9.793 9.136 1.00 71.12 H new ATOM 0 HG22 VAL A 74 3.986 -8.459 8.188 1.00 71.12 H new ATOM 0 HG23 VAL A 74 2.235 -8.505 8.502 1.00 71.12 H new ATOM 1148 N PRO A 75 3.641 -6.743 6.172 1.00 55.42 N ATOM 1149 CA PRO A 75 4.703 -5.724 6.189 1.00 60.35 C ATOM 1150 C PRO A 75 5.837 -6.095 7.152 1.00 72.13 C ATOM 1151 O PRO A 75 5.959 -7.249 7.571 1.00 1.32 O ATOM 1152 CB PRO A 75 3.981 -4.442 6.666 1.00 71.04 C ATOM 1153 CG PRO A 75 2.521 -4.747 6.588 1.00 45.31 C ATOM 1154 CD PRO A 75 2.395 -6.231 6.774 1.00 22.00 C ATOM 0 HA PRO A 75 5.176 -5.613 5.213 1.00 60.35 H new ATOM 0 HB2 PRO A 75 4.273 -4.184 7.684 1.00 71.04 H new ATOM 0 HB3 PRO A 75 4.237 -3.591 6.035 1.00 71.04 H new ATOM 0 HG2 PRO A 75 1.969 -4.209 7.359 1.00 45.31 H new ATOM 0 HG3 PRO A 75 2.109 -4.438 5.627 1.00 45.31 H new ATOM 0 HD2 PRO A 75 2.314 -6.501 7.827 1.00 22.00 H new ATOM 0 HD3 PRO A 75 1.511 -6.628 6.274 1.00 22.00 H new ATOM 1162 N ALA A 76 6.651 -5.103 7.514 1.00 51.25 N ATOM 1163 CA ALA A 76 7.789 -5.311 8.417 1.00 24.45 C ATOM 1164 C ALA A 76 7.347 -5.904 9.752 1.00 43.13 C ATOM 1165 O ALA A 76 8.163 -6.450 10.500 1.00 43.44 O ATOM 1166 CB ALA A 76 8.517 -3.999 8.657 1.00 60.32 C ATOM 0 H ALA A 76 6.544 -4.140 7.194 1.00 51.25 H new ATOM 0 HA ALA A 76 8.463 -6.020 7.937 1.00 24.45 H new ATOM 0 HB1 ALA A 76 9.359 -4.168 9.329 1.00 60.32 H new ATOM 0 HB2 ALA A 76 8.883 -3.607 7.708 1.00 60.32 H new ATOM 0 HB3 ALA A 76 7.832 -3.280 9.107 1.00 60.32 H new ATOM 1172 N SER A 77 6.052 -5.799 10.039 1.00 71.53 N ATOM 1173 CA SER A 77 5.485 -6.296 11.283 1.00 24.45 C ATOM 1174 C SER A 77 5.748 -7.797 11.458 1.00 52.41 C ATOM 1175 O SER A 77 5.647 -8.331 12.563 1.00 1.13 O ATOM 1176 CB SER A 77 3.983 -5.990 11.317 1.00 43.23 C ATOM 1177 OG SER A 77 3.324 -6.500 10.166 1.00 75.44 O ATOM 0 H SER A 77 5.370 -5.367 9.415 1.00 71.53 H new ATOM 0 HA SER A 77 5.970 -5.789 12.117 1.00 24.45 H new ATOM 0 HB2 SER A 77 3.542 -6.425 12.214 1.00 43.23 H new ATOM 0 HB3 SER A 77 3.831 -4.912 11.378 1.00 43.23 H new ATOM 0 HG SER A 77 2.368 -6.291 10.217 1.00 75.44 H new ATOM 1183 N VAL A 78 6.101 -8.470 10.362 1.00 50.43 N ATOM 1184 CA VAL A 78 6.481 -9.879 10.416 1.00 1.34 C ATOM 1185 C VAL A 78 7.678 -10.080 11.347 1.00 72.15 C ATOM 1186 O VAL A 78 7.684 -10.991 12.178 1.00 61.33 O ATOM 1187 CB VAL A 78 6.813 -10.442 9.007 1.00 12.41 C ATOM 1188 CG1 VAL A 78 7.959 -9.668 8.350 1.00 13.13 C ATOM 1189 CG2 VAL A 78 7.130 -11.939 9.079 1.00 22.14 C ATOM 0 H VAL A 78 6.131 -8.061 9.428 1.00 50.43 H new ATOM 0 HA VAL A 78 5.624 -10.427 10.807 1.00 1.34 H new ATOM 0 HB VAL A 78 5.930 -10.312 8.382 1.00 12.41 H new ATOM 0 HG11 VAL A 78 8.165 -10.089 7.366 1.00 13.13 H new ATOM 0 HG12 VAL A 78 7.677 -8.620 8.245 1.00 13.13 H new ATOM 0 HG13 VAL A 78 8.852 -9.743 8.971 1.00 13.13 H new ATOM 0 HG21 VAL A 78 7.359 -12.311 8.080 1.00 22.14 H new ATOM 0 HG22 VAL A 78 7.989 -12.098 9.731 1.00 22.14 H new ATOM 0 HG23 VAL A 78 6.268 -12.475 9.476 1.00 22.14 H new ATOM 1199 N ARG A 79 8.673 -9.198 11.230 1.00 61.45 N ATOM 1200 CA ARG A 79 9.892 -9.305 12.027 1.00 14.22 C ATOM 1201 C ARG A 79 9.589 -9.010 13.490 1.00 51.30 C ATOM 1202 O ARG A 79 10.242 -9.539 14.391 1.00 43.03 O ATOM 1203 CB ARG A 79 10.975 -8.349 11.504 1.00 63.44 C ATOM 1204 CG ARG A 79 11.393 -8.622 10.061 1.00 63.40 C ATOM 1205 CD ARG A 79 12.641 -7.834 9.671 1.00 74.44 C ATOM 1206 NE ARG A 79 12.439 -6.383 9.761 1.00 53.13 N ATOM 1207 CZ ARG A 79 13.151 -5.572 10.551 1.00 42.11 C ATOM 1208 NH1 ARG A 79 14.091 -6.069 11.347 1.00 73.33 N ATOM 1209 NH2 ARG A 79 12.930 -4.264 10.536 1.00 64.44 N ATOM 0 H ARG A 79 8.656 -8.403 10.591 1.00 61.45 H new ATOM 0 HA ARG A 79 10.269 -10.324 11.942 1.00 14.22 H new ATOM 0 HB2 ARG A 79 10.609 -7.325 11.579 1.00 63.44 H new ATOM 0 HB3 ARG A 79 11.852 -8.422 12.147 1.00 63.44 H new ATOM 0 HG2 ARG A 79 11.582 -9.688 9.933 1.00 63.40 H new ATOM 0 HG3 ARG A 79 10.574 -8.361 9.390 1.00 63.40 H new ATOM 0 HD2 ARG A 79 13.467 -8.124 10.320 1.00 74.44 H new ATOM 0 HD3 ARG A 79 12.929 -8.095 8.653 1.00 74.44 H new ATOM 0 HE ARG A 79 11.709 -5.966 9.184 1.00 53.13 H new ATOM 0 HH11 ARG A 79 14.272 -7.073 11.357 1.00 73.33 H new ATOM 0 HH12 ARG A 79 14.632 -5.447 11.948 1.00 73.33 H new ATOM 0 HH21 ARG A 79 12.216 -3.875 9.921 1.00 64.44 H new ATOM 0 HH22 ARG A 79 13.474 -3.648 11.140 1.00 64.44 H new ATOM 1223 N GLU A 80 8.569 -8.191 13.707 1.00 45.44 N ATOM 1224 CA GLU A 80 8.155 -7.790 15.047 1.00 22.12 C ATOM 1225 C GLU A 80 7.777 -9.013 15.892 1.00 4.33 C ATOM 1226 O GLU A 80 8.066 -9.066 17.091 1.00 13.03 O ATOM 1227 CB GLU A 80 6.966 -6.823 14.942 1.00 62.53 C ATOM 1228 CG GLU A 80 6.480 -6.260 16.274 1.00 73.11 C ATOM 1229 CD GLU A 80 5.234 -5.404 16.115 1.00 33.40 C ATOM 1230 OE1 GLU A 80 5.364 -4.198 15.809 1.00 51.44 O ATOM 1231 OE2 GLU A 80 4.116 -5.932 16.283 1.00 33.42 O ATOM 0 H GLU A 80 8.005 -7.785 12.960 1.00 45.44 H new ATOM 0 HA GLU A 80 8.988 -7.289 15.540 1.00 22.12 H new ATOM 0 HB2 GLU A 80 7.247 -5.993 14.294 1.00 62.53 H new ATOM 0 HB3 GLU A 80 6.137 -7.340 14.458 1.00 62.53 H new ATOM 0 HG2 GLU A 80 6.269 -7.082 16.959 1.00 73.11 H new ATOM 0 HG3 GLU A 80 7.273 -5.664 16.726 1.00 73.11 H new ATOM 1238 N HIS A 81 7.145 -10.005 15.260 1.00 54.53 N ATOM 1239 CA HIS A 81 6.680 -11.199 15.973 1.00 0.23 C ATOM 1240 C HIS A 81 7.676 -12.357 15.847 1.00 2.25 C ATOM 1241 O HIS A 81 7.497 -13.403 16.474 1.00 34.22 O ATOM 1242 CB HIS A 81 5.298 -11.639 15.458 1.00 32.20 C ATOM 1243 CG HIS A 81 4.732 -12.822 16.195 1.00 2.42 C ATOM 1244 ND1 HIS A 81 4.742 -14.106 15.687 1.00 13.53 N ATOM 1245 CD2 HIS A 81 4.156 -12.913 17.420 1.00 0.35 C ATOM 1246 CE1 HIS A 81 4.197 -14.930 16.563 1.00 43.44 C ATOM 1247 NE2 HIS A 81 3.838 -14.232 17.622 1.00 2.53 N ATOM 0 H HIS A 81 6.944 -10.006 14.260 1.00 54.53 H new ATOM 0 HA HIS A 81 6.599 -10.934 17.027 1.00 0.23 H new ATOM 0 HB2 HIS A 81 4.604 -10.802 15.542 1.00 32.20 H new ATOM 0 HB3 HIS A 81 5.375 -11.884 14.399 1.00 32.20 H new ATOM 0 HD2 HIS A 81 3.981 -12.099 18.108 1.00 0.35 H new ATOM 0 HE1 HIS A 81 4.067 -15.994 16.434 1.00 43.44 H new ATOM 0 HE2 HIS A 81 3.395 -14.612 18.458 1.00 2.53 H new ATOM 1256 N LEU A 82 8.726 -12.176 15.046 1.00 52.02 N ATOM 1257 CA LEU A 82 9.722 -13.237 14.850 1.00 15.11 C ATOM 1258 C LEU A 82 10.438 -13.572 16.158 1.00 65.10 C ATOM 1259 O LEU A 82 11.039 -14.639 16.289 1.00 73.43 O ATOM 1260 CB LEU A 82 10.746 -12.864 13.764 1.00 12.10 C ATOM 1261 CG LEU A 82 10.224 -12.909 12.317 1.00 72.24 C ATOM 1262 CD1 LEU A 82 11.345 -12.589 11.330 1.00 41.43 C ATOM 1263 CD2 LEU A 82 9.603 -14.270 12.005 1.00 53.35 C ATOM 0 H LEU A 82 8.911 -11.318 14.527 1.00 52.02 H new ATOM 0 HA LEU A 82 9.181 -14.122 14.514 1.00 15.11 H new ATOM 0 HB2 LEU A 82 11.115 -11.859 13.967 1.00 12.10 H new ATOM 0 HB3 LEU A 82 11.598 -13.539 13.845 1.00 12.10 H new ATOM 0 HG LEU A 82 9.448 -12.150 12.212 1.00 72.24 H new ATOM 0 HD11 LEU A 82 10.956 -12.626 10.313 1.00 41.43 H new ATOM 0 HD12 LEU A 82 11.735 -11.592 11.533 1.00 41.43 H new ATOM 0 HD13 LEU A 82 12.146 -13.321 11.439 1.00 41.43 H new ATOM 0 HD21 LEU A 82 9.241 -14.278 10.977 1.00 53.35 H new ATOM 0 HD22 LEU A 82 10.354 -15.050 12.131 1.00 53.35 H new ATOM 0 HD23 LEU A 82 8.770 -14.454 12.684 1.00 53.35 H new ATOM 1275 N ASN A 83 10.363 -12.661 17.125 1.00 23.21 N ATOM 1276 CA ASN A 83 10.953 -12.890 18.442 1.00 34.30 C ATOM 1277 C ASN A 83 10.290 -14.097 19.111 1.00 64.54 C ATOM 1278 O ASN A 83 10.969 -14.971 19.659 1.00 24.35 O ATOM 1279 CB ASN A 83 10.802 -11.643 19.329 1.00 5.33 C ATOM 1280 CG ASN A 83 11.471 -11.810 20.685 1.00 13.22 C ATOM 1281 OD1 ASN A 83 12.469 -12.516 20.815 1.00 20.11 O ATOM 1282 ND2 ASN A 83 10.930 -11.162 21.707 1.00 42.20 N ATOM 0 H ASN A 83 9.900 -11.758 17.022 1.00 23.21 H new ATOM 0 HA ASN A 83 12.016 -13.094 18.314 1.00 34.30 H new ATOM 0 HB2 ASN A 83 11.234 -10.783 18.818 1.00 5.33 H new ATOM 0 HB3 ASN A 83 9.743 -11.430 19.473 1.00 5.33 H new ATOM 0 HD21 ASN A 83 11.342 -11.241 22.637 1.00 42.20 H new ATOM 0 HD22 ASN A 83 10.102 -10.584 21.564 1.00 42.20 H new ATOM 1289 N GLN A 84 8.963 -14.156 19.031 1.00 54.12 N ATOM 1290 CA GLN A 84 8.201 -15.254 19.622 1.00 32.44 C ATOM 1291 C GLN A 84 8.315 -16.507 18.752 1.00 35.52 C ATOM 1292 O GLN A 84 7.486 -16.748 17.874 1.00 62.41 O ATOM 1293 CB GLN A 84 6.721 -14.870 19.814 1.00 74.55 C ATOM 1294 CG GLN A 84 6.482 -13.739 20.817 1.00 74.02 C ATOM 1295 CD GLN A 84 7.015 -12.392 20.351 1.00 54.40 C ATOM 1296 OE1 GLN A 84 7.062 -12.107 19.154 1.00 71.43 O ATOM 1297 NE2 GLN A 84 7.420 -11.555 21.293 1.00 3.04 N ATOM 0 H GLN A 84 8.391 -13.454 18.561 1.00 54.12 H new ATOM 0 HA GLN A 84 8.623 -15.464 20.605 1.00 32.44 H new ATOM 0 HB2 GLN A 84 6.307 -14.576 18.849 1.00 74.55 H new ATOM 0 HB3 GLN A 84 6.170 -15.751 20.142 1.00 74.55 H new ATOM 0 HG2 GLN A 84 5.412 -13.652 21.006 1.00 74.02 H new ATOM 0 HG3 GLN A 84 6.953 -13.999 21.765 1.00 74.02 H new ATOM 0 HE21 GLN A 84 7.366 -11.827 22.275 1.00 3.04 H new ATOM 0 HE22 GLN A 84 7.787 -10.638 21.037 1.00 3.04 H new ATOM 1306 N HIS A 85 9.371 -17.281 18.983 1.00 50.13 N ATOM 1307 CA HIS A 85 9.600 -18.530 18.246 1.00 23.14 C ATOM 1308 C HIS A 85 10.204 -19.586 19.168 1.00 22.41 C ATOM 1309 O HIS A 85 10.735 -20.597 18.712 1.00 2.45 O ATOM 1310 CB HIS A 85 10.529 -18.285 17.046 1.00 52.30 C ATOM 1311 CG HIS A 85 11.918 -17.863 17.428 1.00 34.32 C ATOM 1312 ND1 HIS A 85 12.268 -16.551 17.652 1.00 73.50 N ATOM 1313 CD2 HIS A 85 13.049 -18.587 17.619 1.00 52.32 C ATOM 1314 CE1 HIS A 85 13.547 -16.482 17.961 1.00 52.11 C ATOM 1315 NE2 HIS A 85 14.045 -17.703 17.949 1.00 52.35 N ATOM 0 H HIS A 85 10.088 -17.068 19.677 1.00 50.13 H new ATOM 0 HA HIS A 85 8.641 -18.892 17.876 1.00 23.14 H new ATOM 0 HB2 HIS A 85 10.587 -19.197 16.452 1.00 52.30 H new ATOM 0 HB3 HIS A 85 10.089 -17.518 16.409 1.00 52.30 H new ATOM 0 HD1 HIS A 85 11.634 -15.754 17.589 1.00 73.50 H new ATOM 0 HD2 HIS A 85 13.147 -19.659 17.528 1.00 52.32 H new ATOM 0 HE1 HIS A 85 14.095 -15.579 18.186 1.00 52.11 H new ATOM 1324 N SER A 86 10.093 -19.350 20.465 1.00 2.41 N ATOM 1325 CA SER A 86 10.712 -20.205 21.474 1.00 53.33 C ATOM 1326 C SER A 86 9.708 -21.214 22.034 1.00 3.22 C ATOM 1327 O SER A 86 9.952 -21.843 23.064 1.00 51.12 O ATOM 1328 CB SER A 86 11.264 -19.324 22.599 1.00 53.13 C ATOM 1329 OG SER A 86 12.026 -18.253 22.067 1.00 2.23 O ATOM 0 H SER A 86 9.573 -18.562 20.851 1.00 2.41 H new ATOM 0 HA SER A 86 11.523 -20.769 21.013 1.00 53.33 H new ATOM 0 HB2 SER A 86 10.442 -18.931 23.197 1.00 53.13 H new ATOM 0 HB3 SER A 86 11.885 -19.923 23.266 1.00 53.13 H new ATOM 0 HG SER A 86 12.369 -17.700 22.800 1.00 2.23 H new ATOM 1335 N GLY A 87 8.580 -21.371 21.345 1.00 74.42 N ATOM 1336 CA GLY A 87 7.519 -22.249 21.816 1.00 31.33 C ATOM 1337 C GLY A 87 6.165 -21.561 21.771 1.00 32.32 C ATOM 1338 O GLY A 87 5.338 -21.875 20.908 1.00 53.13 O ATOM 0 H GLY A 87 8.380 -20.902 20.462 1.00 74.42 H new ATOM 0 HA2 GLY A 87 7.491 -23.149 21.202 1.00 31.33 H new ATOM 0 HA3 GLY A 87 7.734 -22.566 22.837 1.00 31.33 H new ATOM 1342 N PRO A 88 5.915 -20.599 22.684 1.00 70.20 N ATOM 1343 CA PRO A 88 4.668 -19.823 22.704 1.00 73.53 C ATOM 1344 C PRO A 88 4.654 -18.739 21.619 1.00 3.41 C ATOM 1345 O PRO A 88 4.421 -17.561 21.896 1.00 45.03 O ATOM 1346 CB PRO A 88 4.669 -19.204 24.108 1.00 5.34 C ATOM 1347 CG PRO A 88 6.113 -19.049 24.446 1.00 11.52 C ATOM 1348 CD PRO A 88 6.827 -20.201 23.780 1.00 42.10 C ATOM 0 HA PRO A 88 3.788 -20.433 22.501 1.00 73.53 H new ATOM 0 HB2 PRO A 88 4.153 -18.244 24.119 1.00 5.34 H new ATOM 0 HB3 PRO A 88 4.160 -19.847 24.826 1.00 5.34 H new ATOM 0 HG2 PRO A 88 6.496 -18.094 24.088 1.00 11.52 H new ATOM 0 HG3 PRO A 88 6.265 -19.069 25.525 1.00 11.52 H new ATOM 0 HD2 PRO A 88 7.803 -19.900 23.398 1.00 42.10 H new ATOM 0 HD3 PRO A 88 6.997 -21.022 24.476 1.00 42.10 H new ATOM 1356 N GLY A 89 4.915 -19.153 20.381 1.00 45.11 N ATOM 1357 CA GLY A 89 4.875 -18.241 19.250 1.00 73.43 C ATOM 1358 C GLY A 89 3.685 -18.516 18.352 1.00 22.31 C ATOM 1359 O GLY A 89 3.635 -18.055 17.207 1.00 11.13 O ATOM 0 H GLY A 89 5.156 -20.114 20.140 1.00 45.11 H new ATOM 0 HA2 GLY A 89 4.829 -17.214 19.612 1.00 73.43 H new ATOM 0 HA3 GLY A 89 5.795 -18.335 18.674 1.00 73.43 H new ATOM 1363 N ILE A 90 2.720 -19.266 18.879 1.00 5.14 N ATOM 1364 CA ILE A 90 1.529 -19.631 18.126 1.00 21.42 C ATOM 1365 C ILE A 90 0.520 -18.494 18.135 1.00 23.35 C ATOM 1366 O ILE A 90 -0.424 -18.461 18.932 1.00 33.33 O ATOM 1367 CB ILE A 90 0.884 -20.942 18.646 1.00 44.04 C ATOM 1368 CG1 ILE A 90 0.731 -20.915 20.180 1.00 14.02 C ATOM 1369 CG2 ILE A 90 1.720 -22.133 18.195 1.00 43.22 C ATOM 1370 CD1 ILE A 90 0.076 -22.153 20.759 1.00 22.10 C ATOM 0 H ILE A 90 2.743 -19.633 19.830 1.00 5.14 H new ATOM 0 HA ILE A 90 1.842 -19.815 17.098 1.00 21.42 H new ATOM 0 HB ILE A 90 -0.117 -21.036 18.225 1.00 44.04 H new ATOM 0 HG12 ILE A 90 1.716 -20.794 20.630 1.00 14.02 H new ATOM 0 HG13 ILE A 90 0.143 -20.041 20.460 1.00 14.02 H new ATOM 0 HG21 ILE A 90 1.267 -23.055 18.560 1.00 43.22 H new ATOM 0 HG22 ILE A 90 1.762 -22.156 17.106 1.00 43.22 H new ATOM 0 HG23 ILE A 90 2.730 -22.041 18.596 1.00 43.22 H new ATOM 0 HD11 ILE A 90 0.006 -22.055 21.842 1.00 22.10 H new ATOM 0 HD12 ILE A 90 -0.924 -22.266 20.339 1.00 22.10 H new ATOM 0 HD13 ILE A 90 0.674 -23.030 20.512 1.00 22.10 H new ATOM 1382 N ASP A 91 0.760 -17.543 17.254 1.00 1.23 N ATOM 1383 CA ASP A 91 -0.086 -16.361 17.116 1.00 74.51 C ATOM 1384 C ASP A 91 -0.494 -16.193 15.662 1.00 2.04 C ATOM 1385 O ASP A 91 0.151 -16.739 14.764 1.00 62.54 O ATOM 1386 CB ASP A 91 0.651 -15.096 17.589 1.00 44.12 C ATOM 1387 CG ASP A 91 0.982 -15.110 19.074 1.00 15.41 C ATOM 1388 OD1 ASP A 91 2.067 -15.609 19.446 1.00 43.31 O ATOM 1389 OD2 ASP A 91 0.167 -14.605 19.876 1.00 24.45 O ATOM 0 H ASP A 91 1.549 -17.563 16.608 1.00 1.23 H new ATOM 0 HA ASP A 91 -0.971 -16.499 17.738 1.00 74.51 H new ATOM 0 HB2 ASP A 91 1.574 -14.988 17.019 1.00 44.12 H new ATOM 0 HB3 ASP A 91 0.037 -14.223 17.369 1.00 44.12 H new ATOM 1394 N TYR A 92 -1.558 -15.438 15.437 1.00 33.23 N ATOM 1395 CA TYR A 92 -2.019 -15.153 14.083 1.00 55.10 C ATOM 1396 C TYR A 92 -1.130 -14.100 13.421 1.00 54.42 C ATOM 1397 O TYR A 92 -0.201 -13.570 14.042 1.00 72.11 O ATOM 1398 CB TYR A 92 -3.489 -14.698 14.095 1.00 14.33 C ATOM 1399 CG TYR A 92 -3.809 -13.617 15.117 1.00 5.32 C ATOM 1400 CD1 TYR A 92 -3.241 -12.349 15.029 1.00 74.10 C ATOM 1401 CD2 TYR A 92 -4.688 -13.867 16.168 1.00 64.52 C ATOM 1402 CE1 TYR A 92 -3.537 -11.368 15.957 1.00 61.43 C ATOM 1403 CE2 TYR A 92 -4.990 -12.889 17.095 1.00 43.34 C ATOM 1404 CZ TYR A 92 -4.412 -11.643 16.985 1.00 34.30 C ATOM 1405 OH TYR A 92 -4.720 -10.664 17.901 1.00 4.12 O ATOM 0 H TYR A 92 -2.120 -15.011 16.173 1.00 33.23 H new ATOM 0 HA TYR A 92 -1.952 -16.070 13.498 1.00 55.10 H new ATOM 0 HB2 TYR A 92 -3.750 -14.330 13.103 1.00 14.33 H new ATOM 0 HB3 TYR A 92 -4.122 -15.564 14.291 1.00 14.33 H new ATOM 0 HD1 TYR A 92 -2.558 -12.128 14.222 1.00 74.10 H new ATOM 0 HD2 TYR A 92 -5.141 -14.843 16.260 1.00 64.52 H new ATOM 0 HE1 TYR A 92 -3.084 -10.391 15.876 1.00 61.43 H new ATOM 0 HE2 TYR A 92 -5.676 -13.100 17.902 1.00 43.34 H new ATOM 0 HH TYR A 92 -5.352 -11.020 18.560 1.00 4.12 H new ATOM 1415 N ALA A 93 -1.429 -13.803 12.167 1.00 11.13 N ATOM 1416 CA ALA A 93 -0.664 -12.845 11.383 1.00 53.10 C ATOM 1417 C ALA A 93 -1.516 -11.610 11.081 1.00 2.23 C ATOM 1418 O ALA A 93 -2.386 -11.234 11.874 1.00 73.52 O ATOM 1419 CB ALA A 93 -0.174 -13.509 10.096 1.00 75.12 C ATOM 0 H ALA A 93 -2.211 -14.220 11.662 1.00 11.13 H new ATOM 0 HA ALA A 93 0.205 -12.519 11.954 1.00 53.10 H new ATOM 0 HB1 ALA A 93 0.399 -12.790 9.511 1.00 75.12 H new ATOM 0 HB2 ALA A 93 0.459 -14.361 10.344 1.00 75.12 H new ATOM 0 HB3 ALA A 93 -1.030 -13.851 9.514 1.00 75.12 H new ATOM 1425 N VAL A 94 -1.257 -10.967 9.947 1.00 65.13 N ATOM 1426 CA VAL A 94 -1.995 -9.777 9.554 1.00 73.34 C ATOM 1427 C VAL A 94 -3.377 -10.141 8.988 1.00 64.21 C ATOM 1428 O VAL A 94 -3.496 -10.698 7.899 1.00 24.50 O ATOM 1429 CB VAL A 94 -1.189 -8.928 8.532 1.00 52.51 C ATOM 1430 CG1 VAL A 94 -0.816 -9.744 7.291 1.00 75.41 C ATOM 1431 CG2 VAL A 94 -1.960 -7.668 8.143 1.00 41.25 C ATOM 0 H VAL A 94 -0.538 -11.254 9.283 1.00 65.13 H new ATOM 0 HA VAL A 94 -2.146 -9.174 10.450 1.00 73.34 H new ATOM 0 HB VAL A 94 -0.261 -8.625 9.017 1.00 52.51 H new ATOM 0 HG11 VAL A 94 -0.253 -9.117 6.599 1.00 75.41 H new ATOM 0 HG12 VAL A 94 -0.205 -10.597 7.587 1.00 75.41 H new ATOM 0 HG13 VAL A 94 -1.724 -10.099 6.803 1.00 75.41 H new ATOM 0 HG21 VAL A 94 -1.375 -7.090 7.427 1.00 41.25 H new ATOM 0 HG22 VAL A 94 -2.912 -7.949 7.692 1.00 41.25 H new ATOM 0 HG23 VAL A 94 -2.144 -7.065 9.032 1.00 41.25 H new ATOM 1441 N ARG A 95 -4.412 -9.863 9.773 1.00 64.15 N ATOM 1442 CA ARG A 95 -5.800 -9.976 9.333 1.00 53.51 C ATOM 1443 C ARG A 95 -6.517 -8.652 9.620 1.00 63.34 C ATOM 1444 O ARG A 95 -6.377 -8.132 10.756 1.00 22.32 O ATOM 1445 CB ARG A 95 -6.532 -11.164 10.010 1.00 22.34 C ATOM 1446 CG ARG A 95 -6.807 -11.011 11.510 1.00 23.40 C ATOM 1447 CD ARG A 95 -5.528 -10.944 12.331 1.00 44.34 C ATOM 1448 NE ARG A 95 -5.797 -10.710 13.753 1.00 74.54 N ATOM 1449 CZ ARG A 95 -6.055 -9.512 14.287 1.00 11.51 C ATOM 1450 NH1 ARG A 95 -6.213 -8.443 13.508 1.00 11.43 N ATOM 1451 NH2 ARG A 95 -6.188 -9.384 15.604 1.00 42.22 N ATOM 1452 OXT ARG A 95 -7.180 -8.115 8.712 1.00 0.00 O ATOM 0 H ARG A 95 -4.312 -9.551 10.739 1.00 64.15 H new ATOM 0 HA ARG A 95 -5.812 -10.179 8.262 1.00 53.51 H new ATOM 0 HB2 ARG A 95 -7.483 -11.319 9.500 1.00 22.34 H new ATOM 0 HB3 ARG A 95 -5.938 -12.066 9.859 1.00 22.34 H new ATOM 0 HG2 ARG A 95 -7.392 -10.107 11.679 1.00 23.40 H new ATOM 0 HG3 ARG A 95 -7.412 -11.850 11.853 1.00 23.40 H new ATOM 0 HD2 ARG A 95 -4.975 -11.876 12.216 1.00 44.34 H new ATOM 0 HD3 ARG A 95 -4.892 -10.146 11.947 1.00 44.34 H new ATOM 0 HE ARG A 95 -5.787 -11.516 14.378 1.00 74.54 H new ATOM 0 HH11 ARG A 95 -6.137 -8.535 12.495 1.00 11.43 H new ATOM 0 HH12 ARG A 95 -6.410 -7.533 13.925 1.00 11.43 H new ATOM 0 HH21 ARG A 95 -6.093 -10.201 16.208 1.00 42.22 H new ATOM 0 HH22 ARG A 95 -6.385 -8.469 16.010 1.00 42.22 H new TER 1466 ARG A 95