USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 760 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 99 THR OG1 : rot 58:sc= 0.945 USER MOD Set 1.2: A 106 ASN : amide:sc= 0.75 K(o=1.7,f=-6.7!) USER MOD Set 2.1: A 44 THR OG1 : rot -137:sc= 1.09 USER MOD Set 2.2: A 92 GLN : amide:sc= 0.431 K(o=1.5,f=-2.3) USER MOD Single : A 10 LYS NZ :NH3+ 164:sc= -0.0552 (180deg=-0.335) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -149:sc= 0.597 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0875 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0263 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= -0.0474 (180deg=-0.271) USER MOD Single : A 47 SER OG : rot 180:sc= -0.217 USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.0384 (180deg=-0.217) USER MOD Single : A 49 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.011) USER MOD Single : A 52 LYS NZ :NH3+ 166:sc= -0.027 (180deg=-0.247) USER MOD Single : A 54 THR OG1 : rot -130:sc= 0 USER MOD Single : A 55 THR OG1 : rot 74:sc= 0.955 USER MOD Single : A 62 ASN : amide:sc= -0.343 K(o=-0.34,f=-0.86) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -174:sc= 0.96 (180deg=0.94) USER MOD Single : A 75 ASN : amide:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc=-0.00111 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -84:sc= 0.19 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.9!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -3.44! K(o=-3.4!,f=-1.3) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 32:sc= 0.074 USER MOD Single : A 113 ASN : amide:sc= 0.485 X(o=0.49,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 10 10.335 36.025 -8.707 1.00 28.97 N ATOM 2 CA LYS A 10 8.928 35.577 -8.812 1.00 28.96 C ATOM 3 C LYS A 10 8.757 34.217 -8.157 1.00 28.46 C ATOM 4 O LYS A 10 9.551 33.304 -8.389 1.00 28.51 O ATOM 5 CB LYS A 10 8.494 35.490 -10.277 1.00 29.27 C ATOM 6 CG LYS A 10 8.551 36.813 -11.017 1.00 29.85 C ATOM 7 CD LYS A 10 8.094 36.661 -12.458 1.00 30.10 C ATOM 8 CE LYS A 10 8.233 37.963 -13.230 1.00 30.31 C ATOM 9 NZ LYS A 10 9.643 38.430 -13.290 1.00 30.19 N ATOM 0 HA LYS A 10 8.304 36.309 -8.299 1.00 28.96 H new ATOM 0 HB2 LYS A 10 9.130 34.770 -10.792 1.00 29.27 H new ATOM 0 HB3 LYS A 10 7.476 35.104 -10.321 1.00 29.27 H new ATOM 0 HG2 LYS A 10 7.921 37.543 -10.509 1.00 29.85 H new ATOM 0 HG3 LYS A 10 9.570 37.200 -10.995 1.00 29.85 H new ATOM 0 HD2 LYS A 10 8.681 35.883 -12.946 1.00 30.10 H new ATOM 0 HD3 LYS A 10 7.054 36.335 -12.478 1.00 30.10 H new ATOM 0 HE2 LYS A 10 7.854 37.826 -14.243 1.00 30.31 H new ATOM 0 HE3 LYS A 10 7.617 38.730 -12.760 1.00 30.31 H new ATOM 0 HZ1 LYS A 10 9.739 39.151 -14.034 1.00 30.19 H new ATOM 0 HZ2 LYS A 10 9.912 38.841 -12.373 1.00 30.19 H new ATOM 0 HZ3 LYS A 10 10.266 37.626 -13.505 1.00 30.19 H new ATOM 25 N ALA A 11 7.729 34.083 -7.340 1.00 28.06 N ATOM 26 CA ALA A 11 7.440 32.826 -6.675 1.00 27.64 C ATOM 27 C ALA A 11 6.075 32.304 -7.102 1.00 27.42 C ATOM 28 O ALA A 11 5.355 31.691 -6.315 1.00 27.34 O ATOM 29 CB ALA A 11 7.503 32.996 -5.164 1.00 27.61 C ATOM 0 H ALA A 11 7.076 34.835 -7.120 1.00 28.06 H new ATOM 0 HA ALA A 11 8.194 32.096 -6.967 1.00 27.64 H new ATOM 0 HB1 ALA A 11 7.284 32.044 -4.681 1.00 27.61 H new ATOM 0 HB2 ALA A 11 8.501 33.327 -4.876 1.00 27.61 H new ATOM 0 HB3 ALA A 11 6.770 33.739 -4.851 1.00 27.61 H new ATOM 35 N MET A 12 5.724 32.552 -8.357 1.00 27.42 N ATOM 36 CA MET A 12 4.445 32.103 -8.889 1.00 27.32 C ATOM 37 C MET A 12 4.487 30.606 -9.158 1.00 26.93 C ATOM 38 O MET A 12 3.594 29.865 -8.753 1.00 27.11 O ATOM 39 CB MET A 12 4.089 32.861 -10.171 1.00 27.69 C ATOM 40 CG MET A 12 2.759 32.434 -10.775 1.00 28.00 C ATOM 41 SD MET A 12 2.319 33.373 -12.250 1.00 28.45 S ATOM 42 CE MET A 12 0.777 32.578 -12.696 1.00 28.52 C ATOM 0 H MET A 12 6.305 33.060 -9.024 1.00 27.42 H new ATOM 0 HA MET A 12 3.674 32.310 -8.147 1.00 27.32 H new ATOM 0 HB2 MET A 12 4.056 33.929 -9.956 1.00 27.69 H new ATOM 0 HB3 MET A 12 4.879 32.708 -10.906 1.00 27.69 H new ATOM 0 HG2 MET A 12 2.804 31.374 -11.026 1.00 28.00 H new ATOM 0 HG3 MET A 12 1.973 32.552 -10.029 1.00 28.00 H new ATOM 0 HE1 MET A 12 0.373 33.045 -13.594 1.00 28.52 H new ATOM 0 HE2 MET A 12 0.955 31.520 -12.887 1.00 28.52 H new ATOM 0 HE3 MET A 12 0.063 32.684 -11.879 1.00 28.52 H new ATOM 52 N ALA A 13 5.551 30.161 -9.812 1.00 26.48 N ATOM 53 CA ALA A 13 5.722 28.747 -10.134 1.00 26.15 C ATOM 54 C ALA A 13 6.294 27.982 -8.942 1.00 25.45 C ATOM 55 O ALA A 13 6.852 26.895 -9.094 1.00 25.30 O ATOM 56 CB ALA A 13 6.621 28.590 -11.348 1.00 26.56 C ATOM 0 H ALA A 13 6.312 30.760 -10.132 1.00 26.48 H new ATOM 0 HA ALA A 13 4.743 28.327 -10.366 1.00 26.15 H new ATOM 0 HB1 ALA A 13 6.741 27.531 -11.578 1.00 26.56 H new ATOM 0 HB2 ALA A 13 6.172 29.098 -12.201 1.00 26.56 H new ATOM 0 HB3 ALA A 13 7.597 29.028 -11.137 1.00 26.56 H new ATOM 62 N ASP A 14 6.132 28.556 -7.757 1.00 25.14 N ATOM 63 CA ASP A 14 6.639 27.969 -6.519 1.00 24.56 C ATOM 64 C ASP A 14 5.977 26.628 -6.230 1.00 24.07 C ATOM 65 O ASP A 14 6.605 25.709 -5.707 1.00 23.83 O ATOM 66 CB ASP A 14 6.388 28.927 -5.355 1.00 24.76 C ATOM 67 CG ASP A 14 6.835 28.366 -4.023 1.00 24.73 C ATOM 68 OD1 ASP A 14 8.038 28.471 -3.704 1.00 24.76 O ATOM 69 OD2 ASP A 14 5.985 27.832 -3.284 1.00 24.74 O ATOM 0 H ASP A 14 5.645 29.443 -7.625 1.00 25.14 H new ATOM 0 HA ASP A 14 7.710 27.801 -6.637 1.00 24.56 H new ATOM 0 HB2 ASP A 14 6.912 29.864 -5.543 1.00 24.76 H new ATOM 0 HB3 ASP A 14 5.324 29.161 -5.306 1.00 24.76 H new ATOM 74 N ILE A 15 4.707 26.524 -6.588 1.00 24.03 N ATOM 75 CA ILE A 15 3.933 25.317 -6.336 1.00 23.69 C ATOM 76 C ILE A 15 4.406 24.177 -7.237 1.00 23.12 C ATOM 77 O ILE A 15 4.342 23.005 -6.865 1.00 22.96 O ATOM 78 CB ILE A 15 2.410 25.562 -6.546 1.00 24.09 C ATOM 79 CG1 ILE A 15 1.844 26.505 -5.474 1.00 24.51 C ATOM 80 CG2 ILE A 15 1.633 24.252 -6.539 1.00 24.11 C ATOM 81 CD1 ILE A 15 2.245 27.955 -5.642 1.00 24.99 C ATOM 0 H ILE A 15 4.187 27.266 -7.057 1.00 24.03 H new ATOM 0 HA ILE A 15 4.092 25.038 -5.294 1.00 23.69 H new ATOM 0 HB ILE A 15 2.294 26.032 -7.522 1.00 24.09 H new ATOM 0 HG12 ILE A 15 0.756 26.438 -5.486 1.00 24.51 H new ATOM 0 HG13 ILE A 15 2.174 26.161 -4.494 1.00 24.51 H new ATOM 0 HG21 ILE A 15 0.573 24.457 -6.688 1.00 24.11 H new ATOM 0 HG22 ILE A 15 1.995 23.610 -7.342 1.00 24.11 H new ATOM 0 HG23 ILE A 15 1.775 23.750 -5.582 1.00 24.11 H new ATOM 0 HD11 ILE A 15 1.802 28.550 -4.843 1.00 24.99 H new ATOM 0 HD12 ILE A 15 3.331 28.040 -5.598 1.00 24.99 H new ATOM 0 HD13 ILE A 15 1.891 28.321 -6.606 1.00 24.99 H new ATOM 93 N GLY A 16 4.910 24.536 -8.406 1.00 22.92 N ATOM 94 CA GLY A 16 5.297 23.543 -9.385 1.00 22.49 C ATOM 95 C GLY A 16 4.221 23.366 -10.429 1.00 22.19 C ATOM 96 O GLY A 16 4.404 23.729 -11.590 1.00 21.94 O ATOM 0 H GLY A 16 5.059 25.503 -8.696 1.00 22.92 H new ATOM 0 HA2 GLY A 16 6.228 23.844 -9.865 1.00 22.49 H new ATOM 0 HA3 GLY A 16 5.487 22.592 -8.888 1.00 22.49 H new ATOM 100 N SER A 17 3.083 22.839 -10.007 1.00 22.32 N ATOM 101 CA SER A 17 1.932 22.703 -10.884 1.00 22.21 C ATOM 102 C SER A 17 1.024 23.925 -10.750 1.00 21.88 C ATOM 103 O SER A 17 -0.195 23.792 -10.617 1.00 21.88 O ATOM 104 CB SER A 17 1.152 21.434 -10.541 1.00 22.57 C ATOM 105 OG SER A 17 1.994 20.292 -10.561 1.00 22.81 O ATOM 0 H SER A 17 2.932 22.497 -9.058 1.00 22.32 H new ATOM 0 HA SER A 17 2.283 22.632 -11.913 1.00 22.21 H new ATOM 0 HB2 SER A 17 0.699 21.538 -9.555 1.00 22.57 H new ATOM 0 HB3 SER A 17 0.338 21.301 -11.253 1.00 22.57 H new ATOM 0 HG SER A 17 1.470 19.495 -10.336 1.00 22.81 H new ATOM 111 N THR A 18 1.626 25.108 -10.769 1.00 21.72 N ATOM 112 CA THR A 18 0.884 26.351 -10.627 1.00 21.54 C ATOM 113 C THR A 18 -0.064 26.553 -11.802 1.00 21.05 C ATOM 114 O THR A 18 0.368 26.757 -12.939 1.00 20.87 O ATOM 115 CB THR A 18 1.830 27.562 -10.518 1.00 21.84 C ATOM 116 OG1 THR A 18 2.745 27.378 -9.426 1.00 22.21 O ATOM 117 CG2 THR A 18 1.041 28.848 -10.308 1.00 22.05 C ATOM 0 H THR A 18 2.632 25.231 -10.882 1.00 21.72 H new ATOM 0 HA THR A 18 0.305 26.277 -9.706 1.00 21.54 H new ATOM 0 HB THR A 18 2.388 27.641 -11.451 1.00 21.84 H new ATOM 0 HG1 THR A 18 2.978 28.250 -9.044 1.00 22.21 H new ATOM 0 HG21 THR A 18 1.730 29.689 -10.234 1.00 22.05 H new ATOM 0 HG22 THR A 18 0.368 29.003 -11.151 1.00 22.05 H new ATOM 0 HG23 THR A 18 0.460 28.773 -9.389 1.00 22.05 H new ATOM 125 N ALA A 19 -1.354 26.475 -11.521 1.00 20.95 N ATOM 126 CA ALA A 19 -2.377 26.642 -12.534 1.00 20.63 C ATOM 127 C ALA A 19 -3.688 27.030 -11.876 1.00 19.91 C ATOM 128 O ALA A 19 -3.844 26.877 -10.664 1.00 20.09 O ATOM 129 CB ALA A 19 -2.547 25.358 -13.336 1.00 20.90 C ATOM 0 H ALA A 19 -1.719 26.294 -10.586 1.00 20.95 H new ATOM 0 HA ALA A 19 -2.073 27.434 -13.218 1.00 20.63 H new ATOM 0 HB1 ALA A 19 -3.319 25.501 -14.092 1.00 20.90 H new ATOM 0 HB2 ALA A 19 -1.605 25.105 -13.822 1.00 20.90 H new ATOM 0 HB3 ALA A 19 -2.839 24.548 -12.668 1.00 20.90 H new ATOM 135 N VAL A 20 -4.620 27.538 -12.663 1.00 19.19 N ATOM 136 CA VAL A 20 -5.934 27.899 -12.146 1.00 18.54 C ATOM 137 C VAL A 20 -7.036 27.104 -12.848 1.00 17.80 C ATOM 138 O VAL A 20 -7.730 27.618 -13.728 1.00 17.57 O ATOM 139 CB VAL A 20 -6.207 29.419 -12.277 1.00 18.50 C ATOM 140 CG1 VAL A 20 -5.425 30.194 -11.228 1.00 18.57 C ATOM 141 CG2 VAL A 20 -5.856 29.923 -13.673 1.00 18.70 C ATOM 0 H VAL A 20 -4.495 27.711 -13.660 1.00 19.19 H new ATOM 0 HA VAL A 20 -5.940 27.647 -11.085 1.00 18.54 H new ATOM 0 HB VAL A 20 -7.272 29.582 -12.114 1.00 18.50 H new ATOM 0 HG11 VAL A 20 -5.629 31.259 -11.335 1.00 18.57 H new ATOM 0 HG12 VAL A 20 -5.726 29.865 -10.233 1.00 18.57 H new ATOM 0 HG13 VAL A 20 -4.358 30.014 -11.362 1.00 18.57 H new ATOM 0 HG21 VAL A 20 -6.058 30.992 -13.735 1.00 18.70 H new ATOM 0 HG22 VAL A 20 -4.800 29.741 -13.871 1.00 18.70 H new ATOM 0 HG23 VAL A 20 -6.459 29.396 -14.412 1.00 18.70 H new ATOM 151 N PRO A 21 -7.208 25.826 -12.476 1.00 17.56 N ATOM 152 CA PRO A 21 -8.222 24.962 -13.070 1.00 17.00 C ATOM 153 C PRO A 21 -9.616 25.289 -12.552 1.00 16.31 C ATOM 154 O PRO A 21 -9.945 25.008 -11.395 1.00 16.23 O ATOM 155 CB PRO A 21 -7.809 23.545 -12.636 1.00 17.18 C ATOM 156 CG PRO A 21 -6.495 23.696 -11.937 1.00 17.71 C ATOM 157 CD PRO A 21 -6.440 25.114 -11.451 1.00 17.98 C ATOM 0 HA PRO A 21 -8.273 25.082 -14.152 1.00 17.00 H new ATOM 0 HB2 PRO A 21 -8.555 23.106 -11.974 1.00 17.18 H new ATOM 0 HB3 PRO A 21 -7.719 22.883 -13.498 1.00 17.18 H new ATOM 0 HG2 PRO A 21 -6.414 22.996 -11.105 1.00 17.71 H new ATOM 0 HG3 PRO A 21 -5.667 23.484 -12.614 1.00 17.71 H new ATOM 0 HD2 PRO A 21 -6.884 25.222 -10.462 1.00 17.98 H new ATOM 0 HD3 PRO A 21 -5.416 25.481 -11.382 1.00 17.98 H new ATOM 165 N ARG A 22 -10.428 25.905 -13.399 1.00 15.97 N ATOM 166 CA ARG A 22 -11.798 26.225 -13.036 1.00 15.45 C ATOM 167 C ARG A 22 -12.682 25.006 -13.260 1.00 14.80 C ATOM 168 O ARG A 22 -13.506 24.970 -14.176 1.00 14.66 O ATOM 169 CB ARG A 22 -12.312 27.413 -13.851 1.00 15.71 C ATOM 170 CG ARG A 22 -13.703 27.873 -13.444 1.00 16.01 C ATOM 171 CD ARG A 22 -14.253 28.896 -14.420 1.00 16.48 C ATOM 172 NE ARG A 22 -13.421 30.092 -14.484 1.00 16.97 N ATOM 173 CZ ARG A 22 -13.641 31.107 -15.316 1.00 17.53 C ATOM 174 NH1 ARG A 22 -14.681 31.083 -16.140 1.00 17.68 N ATOM 175 NH2 ARG A 22 -12.823 32.150 -15.312 1.00 18.07 N ATOM 0 H ARG A 22 -10.161 26.192 -14.341 1.00 15.97 H new ATOM 0 HA ARG A 22 -11.828 26.502 -11.982 1.00 15.45 H new ATOM 0 HB2 ARG A 22 -11.617 28.245 -13.743 1.00 15.71 H new ATOM 0 HB3 ARG A 22 -12.322 27.142 -14.907 1.00 15.71 H new ATOM 0 HG2 ARG A 22 -14.373 27.015 -13.398 1.00 16.01 H new ATOM 0 HG3 ARG A 22 -13.668 28.304 -12.444 1.00 16.01 H new ATOM 0 HD2 ARG A 22 -14.323 28.450 -15.412 1.00 16.48 H new ATOM 0 HD3 ARG A 22 -15.264 29.173 -14.123 1.00 16.48 H new ATOM 0 HE ARG A 22 -12.622 30.154 -13.853 1.00 16.97 H new ATOM 0 HH11 ARG A 22 -15.316 30.284 -16.137 1.00 17.68 H new ATOM 0 HH12 ARG A 22 -14.846 31.863 -16.776 1.00 17.68 H new ATOM 0 HH21 ARG A 22 -12.028 32.173 -14.673 1.00 18.07 H new ATOM 0 HH22 ARG A 22 -12.988 32.930 -15.948 1.00 18.07 H new ATOM 189 N ASP A 23 -12.483 24.001 -12.430 1.00 14.57 N ATOM 190 CA ASP A 23 -13.232 22.764 -12.531 1.00 14.10 C ATOM 191 C ASP A 23 -13.284 22.082 -11.175 1.00 13.33 C ATOM 192 O ASP A 23 -12.289 22.056 -10.447 1.00 13.26 O ATOM 193 CB ASP A 23 -12.588 21.845 -13.571 1.00 14.36 C ATOM 194 CG ASP A 23 -13.312 20.524 -13.711 1.00 14.31 C ATOM 195 OD1 ASP A 23 -14.472 20.528 -14.172 1.00 14.66 O ATOM 196 OD2 ASP A 23 -12.726 19.478 -13.366 1.00 14.07 O ATOM 0 H ASP A 23 -11.802 24.018 -11.671 1.00 14.57 H new ATOM 0 HA ASP A 23 -14.251 22.985 -12.850 1.00 14.10 H new ATOM 0 HB2 ASP A 23 -12.573 22.350 -14.537 1.00 14.36 H new ATOM 0 HB3 ASP A 23 -11.551 21.658 -13.292 1.00 14.36 H new ATOM 201 N VAL A 24 -14.444 21.557 -10.825 1.00 12.93 N ATOM 202 CA VAL A 24 -14.627 20.910 -9.537 1.00 12.36 C ATOM 203 C VAL A 24 -14.661 19.399 -9.707 1.00 11.76 C ATOM 204 O VAL A 24 -15.426 18.874 -10.513 1.00 11.87 O ATOM 205 CB VAL A 24 -15.932 21.383 -8.857 1.00 12.62 C ATOM 206 CG1 VAL A 24 -16.121 20.707 -7.509 1.00 13.03 C ATOM 207 CG2 VAL A 24 -15.931 22.895 -8.697 1.00 12.66 C ATOM 0 H VAL A 24 -15.276 21.566 -11.415 1.00 12.93 H new ATOM 0 HA VAL A 24 -13.785 21.185 -8.902 1.00 12.36 H new ATOM 0 HB VAL A 24 -16.768 21.100 -9.497 1.00 12.62 H new ATOM 0 HG11 VAL A 24 -17.047 21.058 -7.053 1.00 13.03 H new ATOM 0 HG12 VAL A 24 -16.171 19.627 -7.647 1.00 13.03 H new ATOM 0 HG13 VAL A 24 -15.281 20.951 -6.859 1.00 13.03 H new ATOM 0 HG21 VAL A 24 -16.857 23.211 -8.217 1.00 12.66 H new ATOM 0 HG22 VAL A 24 -15.083 23.195 -8.082 1.00 12.66 H new ATOM 0 HG23 VAL A 24 -15.853 23.365 -9.678 1.00 12.66 H new ATOM 217 N ASN A 25 -13.813 18.706 -8.959 1.00 11.34 N ATOM 218 CA ASN A 25 -13.768 17.250 -9.014 1.00 10.98 C ATOM 219 C ASN A 25 -14.857 16.661 -8.133 1.00 10.24 C ATOM 220 O ASN A 25 -15.396 15.595 -8.424 1.00 10.10 O ATOM 221 CB ASN A 25 -12.397 16.717 -8.582 1.00 11.21 C ATOM 222 CG ASN A 25 -11.300 17.022 -9.587 1.00 11.81 C ATOM 223 OD1 ASN A 25 -11.072 16.265 -10.531 1.00 12.05 O ATOM 224 ND2 ASN A 25 -10.596 18.125 -9.386 1.00 12.26 N ATOM 0 H ASN A 25 -13.149 19.126 -8.309 1.00 11.34 H new ATOM 0 HA ASN A 25 -13.937 16.947 -10.047 1.00 10.98 H new ATOM 0 HB2 ASN A 25 -12.131 17.152 -7.619 1.00 11.21 H new ATOM 0 HB3 ASN A 25 -12.461 15.638 -8.438 1.00 11.21 H new ATOM 0 HD21 ASN A 25 -9.838 18.370 -10.023 1.00 12.26 H new ATOM 0 HD22 ASN A 25 -10.811 18.730 -8.594 1.00 12.26 H new ATOM 231 N GLY A 26 -15.183 17.362 -7.056 1.00 9.97 N ATOM 232 CA GLY A 26 -16.237 16.912 -6.173 1.00 9.46 C ATOM 233 C GLY A 26 -16.152 17.543 -4.800 1.00 8.91 C ATOM 234 O GLY A 26 -15.878 18.740 -4.670 1.00 9.32 O ATOM 0 H GLY A 26 -14.735 18.235 -6.779 1.00 9.97 H new ATOM 0 HA2 GLY A 26 -17.204 17.147 -6.618 1.00 9.46 H new ATOM 0 HA3 GLY A 26 -16.186 15.828 -6.075 1.00 9.46 H new ATOM 238 N GLY A 27 -16.376 16.737 -3.779 1.00 8.22 N ATOM 239 CA GLY A 27 -16.366 17.231 -2.419 1.00 7.92 C ATOM 240 C GLY A 27 -17.292 16.430 -1.533 1.00 7.24 C ATOM 241 O GLY A 27 -18.042 16.987 -0.728 1.00 7.44 O ATOM 0 H GLY A 27 -16.567 15.739 -3.868 1.00 8.22 H new ATOM 0 HA2 GLY A 27 -15.352 17.187 -2.022 1.00 7.92 H new ATOM 0 HA3 GLY A 27 -16.667 18.279 -2.409 1.00 7.92 H new ATOM 245 N THR A 28 -17.253 15.117 -1.697 1.00 6.68 N ATOM 246 CA THR A 28 -18.099 14.213 -0.936 1.00 6.20 C ATOM 247 C THR A 28 -17.478 12.820 -0.902 1.00 5.20 C ATOM 248 O THR A 28 -16.888 12.379 -1.889 1.00 4.69 O ATOM 249 CB THR A 28 -19.512 14.115 -1.553 1.00 6.38 C ATOM 250 OG1 THR A 28 -20.127 15.409 -1.609 1.00 7.30 O ATOM 251 CG2 THR A 28 -20.403 13.160 -0.769 1.00 6.46 C ATOM 0 H THR A 28 -16.635 14.649 -2.360 1.00 6.68 H new ATOM 0 HA THR A 28 -18.183 14.611 0.075 1.00 6.20 H new ATOM 0 HB THR A 28 -19.397 13.723 -2.564 1.00 6.38 H new ATOM 0 HG1 THR A 28 -21.020 15.330 -2.004 1.00 7.30 H new ATOM 0 HG21 THR A 28 -21.388 13.118 -1.233 1.00 6.46 H new ATOM 0 HG22 THR A 28 -19.959 12.165 -0.769 1.00 6.46 H new ATOM 0 HG23 THR A 28 -20.501 13.513 0.258 1.00 6.46 H new ATOM 259 N PRO A 29 -17.563 12.137 0.247 1.00 5.19 N ATOM 260 CA PRO A 29 -17.176 10.739 0.391 1.00 4.65 C ATOM 261 C PRO A 29 -18.372 9.764 0.422 1.00 3.94 C ATOM 262 O PRO A 29 -18.713 9.239 1.486 1.00 3.63 O ATOM 263 CB PRO A 29 -16.509 10.770 1.759 1.00 5.36 C ATOM 264 CG PRO A 29 -17.317 11.764 2.543 1.00 6.10 C ATOM 265 CD PRO A 29 -17.969 12.695 1.538 1.00 6.06 C ATOM 0 HA PRO A 29 -16.565 10.387 -0.440 1.00 4.65 H new ATOM 0 HB2 PRO A 29 -16.522 9.787 2.230 1.00 5.36 H new ATOM 0 HB3 PRO A 29 -15.465 11.075 1.686 1.00 5.36 H new ATOM 0 HG2 PRO A 29 -18.071 11.258 3.146 1.00 6.10 H new ATOM 0 HG3 PRO A 29 -16.681 12.322 3.230 1.00 6.10 H new ATOM 0 HD2 PRO A 29 -19.053 12.708 1.647 1.00 6.06 H new ATOM 0 HD3 PRO A 29 -17.624 13.722 1.659 1.00 6.06 H new ATOM 273 N PRO A 30 -19.042 9.508 -0.720 1.00 4.03 N ATOM 274 CA PRO A 30 -20.118 8.516 -0.789 1.00 3.72 C ATOM 275 C PRO A 30 -19.603 7.095 -0.592 1.00 2.93 C ATOM 276 O PRO A 30 -20.367 6.181 -0.276 1.00 3.11 O ATOM 277 CB PRO A 30 -20.693 8.678 -2.202 1.00 4.59 C ATOM 278 CG PRO A 30 -20.155 9.969 -2.706 1.00 5.19 C ATOM 279 CD PRO A 30 -18.841 10.172 -2.011 1.00 4.85 C ATOM 0 HA PRO A 30 -20.855 8.674 -0.002 1.00 3.72 H new ATOM 0 HB2 PRO A 30 -20.393 7.850 -2.845 1.00 4.59 H new ATOM 0 HB3 PRO A 30 -21.783 8.688 -2.183 1.00 4.59 H new ATOM 0 HG2 PRO A 30 -20.023 9.941 -3.788 1.00 5.19 H new ATOM 0 HG3 PRO A 30 -20.841 10.788 -2.490 1.00 5.19 H new ATOM 0 HD2 PRO A 30 -18.017 9.727 -2.569 1.00 4.85 H new ATOM 0 HD3 PRO A 30 -18.609 11.230 -1.888 1.00 4.85 H new ATOM 287 N LYS A 31 -18.304 6.921 -0.769 1.00 2.43 N ATOM 288 CA LYS A 31 -17.683 5.615 -0.626 1.00 1.86 C ATOM 289 C LYS A 31 -16.354 5.733 0.108 1.00 1.75 C ATOM 290 O LYS A 31 -15.525 6.576 -0.230 1.00 2.40 O ATOM 291 CB LYS A 31 -17.459 4.975 -1.995 1.00 1.79 C ATOM 292 CG LYS A 31 -17.200 3.476 -1.937 1.00 2.09 C ATOM 293 CD LYS A 31 -18.397 2.732 -1.372 1.00 2.78 C ATOM 294 CE LYS A 31 -18.180 1.229 -1.385 1.00 3.33 C ATOM 295 NZ LYS A 31 -19.352 0.501 -0.837 1.00 3.79 N ATOM 0 H LYS A 31 -17.657 7.671 -1.013 1.00 2.43 H new ATOM 0 HA LYS A 31 -18.354 4.983 -0.045 1.00 1.86 H new ATOM 0 HB2 LYS A 31 -18.333 5.159 -2.619 1.00 1.79 H new ATOM 0 HB3 LYS A 31 -16.613 5.462 -2.479 1.00 1.79 H new ATOM 0 HG2 LYS A 31 -16.977 3.104 -2.937 1.00 2.09 H new ATOM 0 HG3 LYS A 31 -16.323 3.280 -1.321 1.00 2.09 H new ATOM 0 HD2 LYS A 31 -18.583 3.064 -0.351 1.00 2.78 H new ATOM 0 HD3 LYS A 31 -19.286 2.977 -1.954 1.00 2.78 H new ATOM 0 HE2 LYS A 31 -17.990 0.897 -2.406 1.00 3.33 H new ATOM 0 HE3 LYS A 31 -17.293 0.984 -0.800 1.00 3.33 H new ATOM 0 HZ1 LYS A 31 -19.168 -0.522 -0.862 1.00 3.79 H new ATOM 0 HZ2 LYS A 31 -19.518 0.799 0.145 1.00 3.79 H new ATOM 0 HZ3 LYS A 31 -20.193 0.715 -1.410 1.00 3.79 H new ATOM 309 N SER A 32 -16.165 4.894 1.114 1.00 1.31 N ATOM 310 CA SER A 32 -14.918 4.845 1.858 1.00 1.17 C ATOM 311 C SER A 32 -14.856 3.574 2.696 1.00 1.24 C ATOM 312 O SER A 32 -15.799 2.781 2.695 1.00 1.38 O ATOM 313 CB SER A 32 -14.774 6.093 2.729 1.00 1.21 C ATOM 314 OG SER A 32 -15.987 6.397 3.398 1.00 1.74 O ATOM 0 H SER A 32 -16.869 4.230 1.436 1.00 1.31 H new ATOM 0 HA SER A 32 -14.084 4.827 1.157 1.00 1.17 H new ATOM 0 HB2 SER A 32 -13.981 5.939 3.461 1.00 1.21 H new ATOM 0 HB3 SER A 32 -14.476 6.939 2.110 1.00 1.21 H new ATOM 0 HG SER A 32 -15.865 7.198 3.949 1.00 1.74 H new ATOM 320 N CYS A 33 -13.750 3.378 3.398 1.00 1.23 N ATOM 321 CA CYS A 33 -13.529 2.146 4.136 1.00 1.36 C ATOM 322 C CYS A 33 -13.695 2.358 5.634 1.00 1.28 C ATOM 323 O CYS A 33 -12.983 3.154 6.246 1.00 1.10 O ATOM 324 CB CYS A 33 -12.130 1.607 3.840 1.00 1.53 C ATOM 325 SG CYS A 33 -11.789 1.365 2.068 1.00 1.70 S ATOM 0 H CYS A 33 -12.992 4.057 3.471 1.00 1.23 H new ATOM 0 HA CYS A 33 -14.276 1.421 3.813 1.00 1.36 H new ATOM 0 HB2 CYS A 33 -11.392 2.296 4.251 1.00 1.53 H new ATOM 0 HB3 CYS A 33 -12.001 0.656 4.357 1.00 1.53 H new ATOM 330 N SER A 34 -14.641 1.645 6.220 1.00 1.54 N ATOM 331 CA SER A 34 -14.867 1.696 7.655 1.00 1.58 C ATOM 332 C SER A 34 -13.734 0.980 8.387 1.00 1.48 C ATOM 333 O SER A 34 -13.414 1.296 9.535 1.00 1.51 O ATOM 334 CB SER A 34 -16.214 1.049 7.985 1.00 1.95 C ATOM 335 OG SER A 34 -16.552 1.205 9.353 1.00 2.57 O ATOM 0 H SER A 34 -15.271 1.018 5.719 1.00 1.54 H new ATOM 0 HA SER A 34 -14.886 2.735 7.983 1.00 1.58 H new ATOM 0 HB2 SER A 34 -16.992 1.494 7.365 1.00 1.95 H new ATOM 0 HB3 SER A 34 -16.178 -0.012 7.738 1.00 1.95 H new ATOM 0 HG SER A 34 -17.418 0.781 9.526 1.00 2.57 H new ATOM 341 N SER A 35 -13.111 0.035 7.693 1.00 1.54 N ATOM 342 CA SER A 35 -12.031 -0.762 8.257 1.00 1.65 C ATOM 343 C SER A 35 -10.746 0.054 8.409 1.00 1.57 C ATOM 344 O SER A 35 -9.812 -0.365 9.100 1.00 1.82 O ATOM 345 CB SER A 35 -11.790 -1.984 7.369 1.00 2.00 C ATOM 346 OG SER A 35 -11.779 -1.616 5.998 1.00 2.50 O ATOM 0 H SER A 35 -13.340 -0.199 6.727 1.00 1.54 H new ATOM 0 HA SER A 35 -12.325 -1.086 9.255 1.00 1.65 H new ATOM 0 HB2 SER A 35 -10.840 -2.449 7.633 1.00 2.00 H new ATOM 0 HB3 SER A 35 -12.569 -2.726 7.545 1.00 2.00 H new ATOM 0 HG SER A 35 -11.622 -2.411 5.447 1.00 2.50 H new ATOM 352 N GLY A 36 -10.700 1.216 7.772 1.00 1.39 N ATOM 353 CA GLY A 36 -9.536 2.067 7.873 1.00 1.51 C ATOM 354 C GLY A 36 -9.526 3.162 6.825 1.00 1.22 C ATOM 355 O GLY A 36 -10.219 3.052 5.813 1.00 1.35 O ATOM 0 H GLY A 36 -11.450 1.583 7.187 1.00 1.39 H new ATOM 0 HA2 GLY A 36 -9.504 2.517 8.865 1.00 1.51 H new ATOM 0 HA3 GLY A 36 -8.636 1.461 7.769 1.00 1.51 H new ATOM 359 N PRO A 37 -8.779 4.250 7.070 1.00 0.95 N ATOM 360 CA PRO A 37 -8.589 5.340 6.113 1.00 0.92 C ATOM 361 C PRO A 37 -8.237 4.856 4.714 1.00 0.70 C ATOM 362 O PRO A 37 -7.677 3.776 4.531 1.00 0.70 O ATOM 363 CB PRO A 37 -7.404 6.136 6.684 1.00 1.05 C ATOM 364 CG PRO A 37 -6.941 5.396 7.897 1.00 1.05 C ATOM 365 CD PRO A 37 -8.083 4.527 8.327 1.00 0.92 C ATOM 0 HA PRO A 37 -9.508 5.915 6.001 1.00 0.92 H new ATOM 0 HB2 PRO A 37 -6.602 6.218 5.950 1.00 1.05 H new ATOM 0 HB3 PRO A 37 -7.706 7.151 6.941 1.00 1.05 H new ATOM 0 HG2 PRO A 37 -6.060 4.795 7.672 1.00 1.05 H new ATOM 0 HG3 PRO A 37 -6.660 6.089 8.690 1.00 1.05 H new ATOM 0 HD2 PRO A 37 -7.735 3.612 8.806 1.00 0.92 H new ATOM 0 HD3 PRO A 37 -8.729 5.035 9.043 1.00 0.92 H new ATOM 373 N VAL A 38 -8.571 5.667 3.728 1.00 0.59 N ATOM 374 CA VAL A 38 -8.199 5.392 2.357 1.00 0.45 C ATOM 375 C VAL A 38 -6.800 5.937 2.125 1.00 0.36 C ATOM 376 O VAL A 38 -6.349 6.804 2.861 1.00 0.41 O ATOM 377 CB VAL A 38 -9.204 6.031 1.373 1.00 0.41 C ATOM 378 CG1 VAL A 38 -8.772 5.833 -0.068 1.00 0.35 C ATOM 379 CG2 VAL A 38 -10.581 5.439 1.597 1.00 0.54 C ATOM 0 H VAL A 38 -9.103 6.528 3.855 1.00 0.59 H new ATOM 0 HA VAL A 38 -8.214 4.316 2.181 1.00 0.45 H new ATOM 0 HB VAL A 38 -9.235 7.104 1.562 1.00 0.41 H new ATOM 0 HG11 VAL A 38 -9.502 6.295 -0.733 1.00 0.35 H new ATOM 0 HG12 VAL A 38 -7.797 6.295 -0.222 1.00 0.35 H new ATOM 0 HG13 VAL A 38 -8.707 4.767 -0.285 1.00 0.35 H new ATOM 0 HG21 VAL A 38 -11.289 5.891 0.902 1.00 0.54 H new ATOM 0 HG22 VAL A 38 -10.546 4.362 1.430 1.00 0.54 H new ATOM 0 HG23 VAL A 38 -10.900 5.637 2.620 1.00 0.54 H new ATOM 389 N TYR A 39 -6.096 5.422 1.145 1.00 0.31 N ATOM 390 CA TYR A 39 -4.751 5.885 0.891 1.00 0.28 C ATOM 391 C TYR A 39 -4.575 6.253 -0.566 1.00 0.24 C ATOM 392 O TYR A 39 -4.946 5.502 -1.465 1.00 0.28 O ATOM 393 CB TYR A 39 -3.732 4.829 1.301 1.00 0.33 C ATOM 394 CG TYR A 39 -3.881 4.384 2.740 1.00 0.34 C ATOM 395 CD1 TYR A 39 -3.270 5.087 3.771 1.00 0.75 C ATOM 396 CD2 TYR A 39 -4.642 3.267 3.068 1.00 0.53 C ATOM 397 CE1 TYR A 39 -3.409 4.689 5.087 1.00 0.78 C ATOM 398 CE2 TYR A 39 -4.789 2.866 4.382 1.00 0.57 C ATOM 399 CZ TYR A 39 -4.172 3.580 5.388 1.00 0.46 C ATOM 400 OH TYR A 39 -4.317 3.185 6.699 1.00 0.52 O ATOM 0 H TYR A 39 -6.427 4.690 0.516 1.00 0.31 H new ATOM 0 HA TYR A 39 -4.582 6.778 1.492 1.00 0.28 H new ATOM 0 HB2 TYR A 39 -3.833 3.963 0.647 1.00 0.33 H new ATOM 0 HB3 TYR A 39 -2.728 5.225 1.152 1.00 0.33 H new ATOM 0 HD1 TYR A 39 -2.676 5.959 3.540 1.00 0.75 H new ATOM 0 HD2 TYR A 39 -5.126 2.704 2.283 1.00 0.53 H new ATOM 0 HE1 TYR A 39 -2.923 5.243 5.876 1.00 0.78 H new ATOM 0 HE2 TYR A 39 -5.385 1.997 4.620 1.00 0.57 H new ATOM 0 HH TYR A 39 -4.885 2.388 6.739 1.00 0.52 H new ATOM 410 N CYS A 40 -4.020 7.421 -0.788 1.00 0.22 N ATOM 411 CA CYS A 40 -3.789 7.901 -2.133 1.00 0.22 C ATOM 412 C CYS A 40 -2.342 7.663 -2.519 1.00 0.22 C ATOM 413 O CYS A 40 -1.437 8.337 -2.028 1.00 0.30 O ATOM 414 CB CYS A 40 -4.126 9.384 -2.237 1.00 0.30 C ATOM 415 SG CYS A 40 -4.241 9.987 -3.946 1.00 0.82 S ATOM 0 H CYS A 40 -3.718 8.060 -0.052 1.00 0.22 H new ATOM 0 HA CYS A 40 -4.437 7.354 -2.818 1.00 0.22 H new ATOM 0 HB2 CYS A 40 -5.074 9.569 -1.731 1.00 0.30 H new ATOM 0 HB3 CYS A 40 -3.365 9.959 -1.709 1.00 0.30 H new ATOM 420 N CYS A 41 -2.128 6.700 -3.388 1.00 0.18 N ATOM 421 CA CYS A 41 -0.791 6.323 -3.787 1.00 0.21 C ATOM 422 C CYS A 41 -0.498 6.860 -5.171 1.00 0.22 C ATOM 423 O CYS A 41 -1.288 6.691 -6.096 1.00 0.24 O ATOM 424 CB CYS A 41 -0.656 4.801 -3.766 1.00 0.20 C ATOM 425 SG CYS A 41 -1.115 4.044 -2.173 1.00 0.24 S ATOM 0 H CYS A 41 -2.869 6.160 -3.835 1.00 0.18 H new ATOM 0 HA CYS A 41 -0.071 6.749 -3.088 1.00 0.21 H new ATOM 0 HB2 CYS A 41 -1.282 4.379 -4.552 1.00 0.20 H new ATOM 0 HB3 CYS A 41 0.374 4.534 -4.001 1.00 0.20 H new ATOM 430 N ASN A 42 0.642 7.531 -5.294 1.00 0.25 N ATOM 431 CA ASN A 42 1.105 8.057 -6.577 1.00 0.30 C ATOM 432 C ASN A 42 1.184 6.943 -7.610 1.00 0.26 C ATOM 433 O ASN A 42 1.079 7.177 -8.814 1.00 0.32 O ATOM 434 CB ASN A 42 2.475 8.712 -6.406 1.00 0.38 C ATOM 435 CG ASN A 42 2.406 9.990 -5.596 1.00 1.21 C ATOM 436 OD1 ASN A 42 2.541 9.972 -4.373 1.00 2.08 O ATOM 437 ND2 ASN A 42 2.195 11.106 -6.271 1.00 1.79 N ATOM 0 H ASN A 42 1.269 7.726 -4.514 1.00 0.25 H new ATOM 0 HA ASN A 42 0.393 8.805 -6.927 1.00 0.30 H new ATOM 0 HB2 ASN A 42 3.152 8.011 -5.917 1.00 0.38 H new ATOM 0 HB3 ASN A 42 2.896 8.929 -7.388 1.00 0.38 H new ATOM 0 HD21 ASN A 42 2.139 11.997 -5.778 1.00 1.79 H new ATOM 0 HD22 ASN A 42 2.089 11.076 -7.285 1.00 1.79 H new ATOM 444 N LYS A 43 1.359 5.735 -7.095 1.00 0.22 N ATOM 445 CA LYS A 43 1.399 4.510 -7.871 1.00 0.20 C ATOM 446 C LYS A 43 1.336 3.336 -6.909 1.00 0.18 C ATOM 447 O LYS A 43 2.117 3.270 -5.960 1.00 0.27 O ATOM 448 CB LYS A 43 2.688 4.415 -8.704 1.00 0.26 C ATOM 449 CG LYS A 43 2.552 4.915 -10.138 1.00 0.80 C ATOM 450 CD LYS A 43 1.629 4.030 -10.966 1.00 1.17 C ATOM 451 CE LYS A 43 2.180 2.619 -11.122 1.00 1.79 C ATOM 452 NZ LYS A 43 3.511 2.607 -11.787 1.00 2.58 N ATOM 0 H LYS A 43 1.481 5.578 -6.094 1.00 0.22 H new ATOM 0 HA LYS A 43 0.554 4.499 -8.559 1.00 0.20 H new ATOM 0 HB2 LYS A 43 3.471 4.987 -8.206 1.00 0.26 H new ATOM 0 HB3 LYS A 43 3.017 3.376 -8.724 1.00 0.26 H new ATOM 0 HG2 LYS A 43 2.167 5.935 -10.131 1.00 0.80 H new ATOM 0 HG3 LYS A 43 3.536 4.949 -10.605 1.00 0.80 H new ATOM 0 HD2 LYS A 43 0.648 3.986 -10.492 1.00 1.17 H new ATOM 0 HD3 LYS A 43 1.488 4.475 -11.951 1.00 1.17 H new ATOM 0 HE2 LYS A 43 2.262 2.152 -10.141 1.00 1.79 H new ATOM 0 HE3 LYS A 43 1.480 2.019 -11.703 1.00 1.79 H new ATOM 0 HZ1 LYS A 43 3.749 1.635 -12.071 1.00 2.58 H new ATOM 0 HZ2 LYS A 43 3.484 3.217 -12.629 1.00 2.58 H new ATOM 0 HZ3 LYS A 43 4.232 2.961 -11.127 1.00 2.58 H new ATOM 466 N THR A 44 0.382 2.444 -7.089 1.00 0.15 N ATOM 467 CA THR A 44 0.396 1.222 -6.318 1.00 0.16 C ATOM 468 C THR A 44 1.379 0.228 -6.906 1.00 0.21 C ATOM 469 O THR A 44 1.728 0.292 -8.089 1.00 0.37 O ATOM 470 CB THR A 44 -0.987 0.582 -6.225 1.00 0.19 C ATOM 471 OG1 THR A 44 -1.598 0.549 -7.517 1.00 0.26 O ATOM 472 CG2 THR A 44 -1.851 1.346 -5.240 1.00 0.21 C ATOM 0 H THR A 44 -0.393 2.539 -7.745 1.00 0.15 H new ATOM 0 HA THR A 44 0.710 1.490 -5.309 1.00 0.16 H new ATOM 0 HB THR A 44 -0.883 -0.442 -5.866 1.00 0.19 H new ATOM 0 HG1 THR A 44 -2.539 0.812 -7.441 1.00 0.26 H new ATOM 0 HG21 THR A 44 -2.835 0.881 -5.182 1.00 0.21 H new ATOM 0 HG22 THR A 44 -1.383 1.329 -4.256 1.00 0.21 H new ATOM 0 HG23 THR A 44 -1.957 2.378 -5.573 1.00 0.21 H new ATOM 480 N GLU A 45 1.813 -0.688 -6.075 1.00 0.14 N ATOM 481 CA GLU A 45 2.805 -1.657 -6.460 1.00 0.19 C ATOM 482 C GLU A 45 2.189 -3.043 -6.402 1.00 0.16 C ATOM 483 O GLU A 45 1.332 -3.313 -5.564 1.00 0.15 O ATOM 484 CB GLU A 45 4.020 -1.546 -5.540 1.00 0.27 C ATOM 485 CG GLU A 45 5.344 -1.383 -6.271 1.00 0.51 C ATOM 486 CD GLU A 45 5.638 -2.490 -7.263 1.00 0.56 C ATOM 487 OE1 GLU A 45 4.884 -2.614 -8.247 1.00 1.12 O ATOM 488 OE2 GLU A 45 6.607 -3.254 -7.054 1.00 1.07 O ATOM 0 H GLU A 45 1.487 -0.781 -5.113 1.00 0.14 H new ATOM 0 HA GLU A 45 3.142 -1.469 -7.479 1.00 0.19 H new ATOM 0 HB2 GLU A 45 3.880 -0.696 -4.872 1.00 0.27 H new ATOM 0 HB3 GLU A 45 4.071 -2.437 -4.915 1.00 0.27 H new ATOM 0 HG2 GLU A 45 5.342 -0.428 -6.797 1.00 0.51 H new ATOM 0 HG3 GLU A 45 6.150 -1.342 -5.538 1.00 0.51 H new ATOM 495 N ASP A 46 2.617 -3.907 -7.296 1.00 0.25 N ATOM 496 CA ASP A 46 2.000 -5.219 -7.441 1.00 0.27 C ATOM 497 C ASP A 46 2.524 -6.188 -6.397 1.00 0.28 C ATOM 498 O ASP A 46 3.669 -6.627 -6.474 1.00 0.34 O ATOM 499 CB ASP A 46 2.244 -5.775 -8.842 1.00 0.40 C ATOM 500 CG ASP A 46 1.684 -7.172 -9.004 1.00 1.08 C ATOM 501 OD1 ASP A 46 0.472 -7.360 -8.771 1.00 1.77 O ATOM 502 OD2 ASP A 46 2.450 -8.086 -9.372 1.00 1.40 O ATOM 0 H ASP A 46 3.390 -3.730 -7.937 1.00 0.25 H new ATOM 0 HA ASP A 46 0.927 -5.101 -7.291 1.00 0.27 H new ATOM 0 HB2 ASP A 46 1.788 -5.114 -9.579 1.00 0.40 H new ATOM 0 HB3 ASP A 46 3.315 -5.788 -9.045 1.00 0.40 H new ATOM 507 N SER A 47 1.669 -6.524 -5.433 1.00 0.28 N ATOM 508 CA SER A 47 2.034 -7.405 -4.319 1.00 0.37 C ATOM 509 C SER A 47 2.535 -8.777 -4.778 1.00 0.49 C ATOM 510 O SER A 47 3.074 -9.545 -3.981 1.00 0.68 O ATOM 511 CB SER A 47 0.829 -7.612 -3.410 1.00 0.48 C ATOM 512 OG SER A 47 0.308 -6.381 -2.954 1.00 0.92 O ATOM 0 H SER A 47 0.704 -6.195 -5.400 1.00 0.28 H new ATOM 0 HA SER A 47 2.849 -6.912 -3.790 1.00 0.37 H new ATOM 0 HB2 SER A 47 0.055 -8.159 -3.949 1.00 0.48 H new ATOM 0 HB3 SER A 47 1.117 -8.225 -2.556 1.00 0.48 H new ATOM 0 HG SER A 47 -0.465 -6.547 -2.375 1.00 0.92 H new ATOM 518 N LYS A 48 2.348 -9.095 -6.046 1.00 0.43 N ATOM 519 CA LYS A 48 2.769 -10.384 -6.560 1.00 0.54 C ATOM 520 C LYS A 48 4.199 -10.313 -7.083 1.00 0.67 C ATOM 521 O LYS A 48 4.905 -11.318 -7.121 1.00 0.90 O ATOM 522 CB LYS A 48 1.817 -10.847 -7.662 1.00 0.52 C ATOM 523 CG LYS A 48 0.368 -10.924 -7.217 1.00 0.55 C ATOM 524 CD LYS A 48 0.167 -11.966 -6.127 1.00 1.39 C ATOM 525 CE LYS A 48 -1.285 -12.033 -5.675 1.00 2.18 C ATOM 526 NZ LYS A 48 -2.196 -12.417 -6.785 1.00 2.77 N ATOM 0 H LYS A 48 1.910 -8.483 -6.734 1.00 0.43 H new ATOM 0 HA LYS A 48 2.741 -11.109 -5.746 1.00 0.54 H new ATOM 0 HB2 LYS A 48 1.893 -10.164 -8.508 1.00 0.52 H new ATOM 0 HB3 LYS A 48 2.133 -11.828 -8.016 1.00 0.52 H new ATOM 0 HG2 LYS A 48 0.048 -9.949 -6.851 1.00 0.55 H new ATOM 0 HG3 LYS A 48 -0.263 -11.166 -8.072 1.00 0.55 H new ATOM 0 HD2 LYS A 48 0.479 -12.943 -6.495 1.00 1.39 H new ATOM 0 HD3 LYS A 48 0.803 -11.729 -5.274 1.00 1.39 H new ATOM 0 HE2 LYS A 48 -1.379 -12.754 -4.863 1.00 2.18 H new ATOM 0 HE3 LYS A 48 -1.586 -11.064 -5.277 1.00 2.18 H new ATOM 0 HZ1 LYS A 48 -3.129 -12.665 -6.398 1.00 2.77 H new ATOM 0 HZ2 LYS A 48 -2.296 -11.619 -7.444 1.00 2.77 H new ATOM 0 HZ3 LYS A 48 -1.802 -13.236 -7.290 1.00 2.77 H new ATOM 540 N HIS A 49 4.625 -9.121 -7.483 1.00 0.61 N ATOM 541 CA HIS A 49 5.952 -8.924 -8.041 1.00 0.79 C ATOM 542 C HIS A 49 6.516 -7.560 -7.660 1.00 0.60 C ATOM 543 O HIS A 49 6.792 -6.740 -8.537 1.00 0.62 O ATOM 544 CB HIS A 49 5.908 -9.017 -9.563 1.00 1.05 C ATOM 545 CG HIS A 49 5.663 -10.392 -10.108 1.00 1.41 C ATOM 546 ND1 HIS A 49 6.672 -11.290 -10.364 1.00 1.95 N ATOM 547 CD2 HIS A 49 4.512 -11.012 -10.464 1.00 1.48 C ATOM 548 CE1 HIS A 49 6.155 -12.402 -10.854 1.00 2.33 C ATOM 549 NE2 HIS A 49 4.846 -12.259 -10.925 1.00 2.03 N ATOM 0 H HIS A 49 4.063 -8.271 -7.429 1.00 0.61 H new ATOM 0 HA HIS A 49 6.593 -9.706 -7.634 1.00 0.79 H new ATOM 0 HB2 HIS A 49 5.126 -8.353 -9.930 1.00 1.05 H new ATOM 0 HB3 HIS A 49 6.853 -8.648 -9.962 1.00 1.05 H new ATOM 0 HD2 HIS A 49 3.516 -10.600 -10.397 1.00 1.48 H new ATOM 0 HE1 HIS A 49 6.711 -13.280 -11.147 1.00 2.33 H new ATOM 0 HE2 HIS A 49 4.190 -12.961 -11.267 1.00 2.03 H new ATOM 558 N LEU A 50 6.673 -7.304 -6.368 1.00 0.50 N ATOM 559 CA LEU A 50 7.237 -6.051 -5.905 1.00 0.37 C ATOM 560 C LEU A 50 8.652 -5.846 -6.418 1.00 0.36 C ATOM 561 O LEU A 50 9.419 -6.795 -6.606 1.00 0.44 O ATOM 562 CB LEU A 50 7.269 -5.991 -4.383 1.00 0.40 C ATOM 563 CG LEU A 50 5.915 -5.878 -3.685 1.00 0.45 C ATOM 564 CD1 LEU A 50 5.053 -4.830 -4.359 1.00 1.04 C ATOM 565 CD2 LEU A 50 5.212 -7.213 -3.626 1.00 1.16 C ATOM 0 H LEU A 50 6.416 -7.952 -5.623 1.00 0.50 H new ATOM 0 HA LEU A 50 6.593 -5.263 -6.296 1.00 0.37 H new ATOM 0 HB2 LEU A 50 7.771 -6.886 -4.015 1.00 0.40 H new ATOM 0 HB3 LEU A 50 7.880 -5.138 -4.086 1.00 0.40 H new ATOM 0 HG LEU A 50 6.091 -5.561 -2.657 1.00 0.45 H new ATOM 0 HD11 LEU A 50 4.093 -4.765 -3.847 1.00 1.04 H new ATOM 0 HD12 LEU A 50 5.554 -3.863 -4.315 1.00 1.04 H new ATOM 0 HD13 LEU A 50 4.891 -5.107 -5.401 1.00 1.04 H new ATOM 0 HD21 LEU A 50 4.252 -7.097 -3.123 1.00 1.16 H new ATOM 0 HD22 LEU A 50 5.049 -7.583 -4.638 1.00 1.16 H new ATOM 0 HD23 LEU A 50 5.827 -7.924 -3.074 1.00 1.16 H new ATOM 577 N ASP A 51 8.968 -4.589 -6.643 1.00 0.36 N ATOM 578 CA ASP A 51 10.305 -4.163 -7.019 1.00 0.44 C ATOM 579 C ASP A 51 11.257 -4.369 -5.855 1.00 0.37 C ATOM 580 O ASP A 51 10.832 -4.337 -4.703 1.00 0.35 O ATOM 581 CB ASP A 51 10.265 -2.687 -7.378 1.00 0.59 C ATOM 582 CG ASP A 51 11.515 -2.224 -8.094 1.00 1.01 C ATOM 583 OD1 ASP A 51 11.570 -2.349 -9.335 1.00 1.81 O ATOM 584 OD2 ASP A 51 12.442 -1.734 -7.418 1.00 1.28 O ATOM 0 H ASP A 51 8.298 -3.823 -6.570 1.00 0.36 H new ATOM 0 HA ASP A 51 10.650 -4.749 -7.871 1.00 0.44 H new ATOM 0 HB2 ASP A 51 9.398 -2.495 -8.010 1.00 0.59 H new ATOM 0 HB3 ASP A 51 10.134 -2.100 -6.469 1.00 0.59 H new ATOM 589 N LYS A 52 12.540 -4.565 -6.142 1.00 0.38 N ATOM 590 CA LYS A 52 13.529 -4.740 -5.085 1.00 0.36 C ATOM 591 C LYS A 52 13.633 -3.492 -4.216 1.00 0.30 C ATOM 592 O LYS A 52 13.997 -3.577 -3.046 1.00 0.30 O ATOM 593 CB LYS A 52 14.902 -5.130 -5.652 1.00 0.47 C ATOM 594 CG LYS A 52 15.459 -4.184 -6.716 1.00 1.21 C ATOM 595 CD LYS A 52 16.055 -2.919 -6.112 1.00 2.20 C ATOM 596 CE LYS A 52 17.342 -3.196 -5.344 1.00 2.80 C ATOM 597 NZ LYS A 52 18.421 -3.721 -6.224 1.00 3.23 N ATOM 0 H LYS A 52 12.917 -4.606 -7.089 1.00 0.38 H new ATOM 0 HA LYS A 52 13.188 -5.562 -4.456 1.00 0.36 H new ATOM 0 HB2 LYS A 52 15.615 -5.186 -4.829 1.00 0.47 H new ATOM 0 HB3 LYS A 52 14.830 -6.130 -6.080 1.00 0.47 H new ATOM 0 HG2 LYS A 52 16.223 -4.702 -7.295 1.00 1.21 H new ATOM 0 HG3 LYS A 52 14.663 -3.912 -7.410 1.00 1.21 H new ATOM 0 HD2 LYS A 52 16.256 -2.200 -6.906 1.00 2.20 H new ATOM 0 HD3 LYS A 52 15.327 -2.460 -5.443 1.00 2.20 H new ATOM 0 HE2 LYS A 52 17.681 -2.278 -4.864 1.00 2.80 H new ATOM 0 HE3 LYS A 52 17.141 -3.915 -4.550 1.00 2.80 H new ATOM 0 HZ1 LYS A 52 19.332 -3.671 -5.724 1.00 3.23 H new ATOM 0 HZ2 LYS A 52 18.216 -4.710 -6.473 1.00 3.23 H new ATOM 0 HZ3 LYS A 52 18.471 -3.149 -7.091 1.00 3.23 H new ATOM 611 N GLY A 53 13.307 -2.338 -4.788 1.00 0.34 N ATOM 612 CA GLY A 53 13.329 -1.108 -4.025 1.00 0.31 C ATOM 613 C GLY A 53 12.222 -1.079 -2.997 1.00 0.27 C ATOM 614 O GLY A 53 12.409 -0.602 -1.879 1.00 0.25 O ATOM 0 H GLY A 53 13.029 -2.234 -5.764 1.00 0.34 H new ATOM 0 HA2 GLY A 53 14.293 -1.004 -3.527 1.00 0.31 H new ATOM 0 HA3 GLY A 53 13.225 -0.258 -4.699 1.00 0.31 H new ATOM 618 N THR A 54 11.073 -1.617 -3.376 1.00 0.27 N ATOM 619 CA THR A 54 9.928 -1.685 -2.485 1.00 0.25 C ATOM 620 C THR A 54 10.075 -2.865 -1.544 1.00 0.20 C ATOM 621 O THR A 54 9.820 -2.753 -0.344 1.00 0.17 O ATOM 622 CB THR A 54 8.609 -1.818 -3.273 1.00 0.29 C ATOM 623 OG1 THR A 54 8.531 -0.794 -4.276 1.00 0.36 O ATOM 624 CG2 THR A 54 7.409 -1.717 -2.342 1.00 0.25 C ATOM 0 H THR A 54 10.910 -2.015 -4.301 1.00 0.27 H new ATOM 0 HA THR A 54 9.894 -0.758 -1.913 1.00 0.25 H new ATOM 0 HB THR A 54 8.595 -2.797 -3.752 1.00 0.29 H new ATOM 0 HG1 THR A 54 7.664 -0.341 -4.215 1.00 0.36 H new ATOM 0 HG21 THR A 54 6.490 -1.814 -2.921 1.00 0.25 H new ATOM 0 HG22 THR A 54 7.456 -2.514 -1.600 1.00 0.25 H new ATOM 0 HG23 THR A 54 7.420 -0.751 -1.838 1.00 0.25 H new ATOM 632 N THR A 55 10.500 -3.991 -2.101 1.00 0.22 N ATOM 633 CA THR A 55 10.818 -5.168 -1.310 1.00 0.21 C ATOM 634 C THR A 55 11.804 -4.809 -0.203 1.00 0.19 C ATOM 635 O THR A 55 11.742 -5.342 0.903 1.00 0.19 O ATOM 636 CB THR A 55 11.421 -6.276 -2.192 1.00 0.26 C ATOM 637 OG1 THR A 55 10.478 -6.658 -3.202 1.00 0.30 O ATOM 638 CG2 THR A 55 11.812 -7.485 -1.361 1.00 0.29 C ATOM 0 H THR A 55 10.633 -4.112 -3.105 1.00 0.22 H new ATOM 0 HA THR A 55 9.892 -5.536 -0.868 1.00 0.21 H new ATOM 0 HB THR A 55 12.322 -5.886 -2.665 1.00 0.26 H new ATOM 0 HG1 THR A 55 10.424 -5.955 -3.882 1.00 0.30 H new ATOM 0 HG21 THR A 55 12.235 -8.251 -2.010 1.00 0.29 H new ATOM 0 HG22 THR A 55 12.552 -7.191 -0.617 1.00 0.29 H new ATOM 0 HG23 THR A 55 10.930 -7.882 -0.858 1.00 0.29 H new ATOM 646 N ALA A 56 12.699 -3.881 -0.516 1.00 0.19 N ATOM 647 CA ALA A 56 13.656 -3.371 0.452 1.00 0.20 C ATOM 648 C ALA A 56 12.954 -2.809 1.683 1.00 0.18 C ATOM 649 O ALA A 56 13.274 -3.189 2.807 1.00 0.20 O ATOM 650 CB ALA A 56 14.533 -2.310 -0.192 1.00 0.23 C ATOM 0 H ALA A 56 12.780 -3.464 -1.443 1.00 0.19 H new ATOM 0 HA ALA A 56 14.283 -4.200 0.779 1.00 0.20 H new ATOM 0 HB1 ALA A 56 15.247 -1.934 0.541 1.00 0.23 H new ATOM 0 HB2 ALA A 56 15.072 -2.745 -1.033 1.00 0.23 H new ATOM 0 HB3 ALA A 56 13.910 -1.489 -0.546 1.00 0.23 H new ATOM 656 N LEU A 57 11.989 -1.914 1.471 1.00 0.16 N ATOM 657 CA LEU A 57 11.256 -1.305 2.587 1.00 0.15 C ATOM 658 C LEU A 57 10.524 -2.374 3.366 1.00 0.14 C ATOM 659 O LEU A 57 10.531 -2.389 4.595 1.00 0.16 O ATOM 660 CB LEU A 57 10.226 -0.277 2.119 1.00 0.18 C ATOM 661 CG LEU A 57 10.743 0.918 1.322 1.00 0.22 C ATOM 662 CD1 LEU A 57 12.256 1.053 1.418 1.00 0.23 C ATOM 663 CD2 LEU A 57 10.310 0.791 -0.123 1.00 0.24 C ATOM 0 H LEU A 57 11.697 -1.595 0.547 1.00 0.16 H new ATOM 0 HA LEU A 57 11.996 -0.799 3.207 1.00 0.15 H new ATOM 0 HB2 LEU A 57 9.486 -0.795 1.509 1.00 0.18 H new ATOM 0 HB3 LEU A 57 9.705 0.103 2.998 1.00 0.18 H new ATOM 0 HG LEU A 57 10.313 1.823 1.752 1.00 0.22 H new ATOM 0 HD11 LEU A 57 12.582 1.916 0.837 1.00 0.23 H new ATOM 0 HD12 LEU A 57 12.544 1.188 2.461 1.00 0.23 H new ATOM 0 HD13 LEU A 57 12.727 0.152 1.026 1.00 0.23 H new ATOM 0 HD21 LEU A 57 10.680 1.645 -0.690 1.00 0.24 H new ATOM 0 HD22 LEU A 57 10.716 -0.128 -0.545 1.00 0.24 H new ATOM 0 HD23 LEU A 57 9.222 0.765 -0.176 1.00 0.24 H new ATOM 675 N LEU A 58 9.883 -3.261 2.625 1.00 0.12 N ATOM 676 CA LEU A 58 9.139 -4.359 3.212 1.00 0.13 C ATOM 677 C LEU A 58 10.052 -5.204 4.081 1.00 0.15 C ATOM 678 O LEU A 58 9.699 -5.560 5.204 1.00 0.18 O ATOM 679 CB LEU A 58 8.520 -5.212 2.112 1.00 0.15 C ATOM 680 CG LEU A 58 7.679 -4.433 1.094 1.00 0.15 C ATOM 681 CD1 LEU A 58 7.185 -5.360 0.001 1.00 0.17 C ATOM 682 CD2 LEU A 58 6.502 -3.756 1.776 1.00 0.18 C ATOM 0 H LEU A 58 9.864 -3.240 1.605 1.00 0.12 H new ATOM 0 HA LEU A 58 8.342 -3.954 3.836 1.00 0.13 H new ATOM 0 HB2 LEU A 58 9.318 -5.732 1.582 1.00 0.15 H new ATOM 0 HB3 LEU A 58 7.893 -5.976 2.572 1.00 0.15 H new ATOM 0 HG LEU A 58 8.309 -3.664 0.647 1.00 0.15 H new ATOM 0 HD11 LEU A 58 6.589 -4.794 -0.715 1.00 0.17 H new ATOM 0 HD12 LEU A 58 8.038 -5.807 -0.510 1.00 0.17 H new ATOM 0 HD13 LEU A 58 6.572 -6.147 0.441 1.00 0.17 H new ATOM 0 HD21 LEU A 58 5.918 -3.209 1.036 1.00 0.18 H new ATOM 0 HD22 LEU A 58 5.873 -4.510 2.249 1.00 0.18 H new ATOM 0 HD23 LEU A 58 6.869 -3.063 2.533 1.00 0.18 H new ATOM 694 N GLY A 59 11.232 -5.502 3.558 1.00 0.16 N ATOM 695 CA GLY A 59 12.222 -6.231 4.319 1.00 0.21 C ATOM 696 C GLY A 59 12.631 -5.502 5.590 1.00 0.22 C ATOM 697 O GLY A 59 12.854 -6.129 6.625 1.00 0.26 O ATOM 0 H GLY A 59 11.522 -5.249 2.613 1.00 0.16 H new ATOM 0 HA2 GLY A 59 11.826 -7.213 4.578 1.00 0.21 H new ATOM 0 HA3 GLY A 59 13.103 -6.396 3.699 1.00 0.21 H new ATOM 701 N LEU A 60 12.716 -4.169 5.514 1.00 0.20 N ATOM 702 CA LEU A 60 13.074 -3.353 6.677 1.00 0.23 C ATOM 703 C LEU A 60 12.061 -3.552 7.793 1.00 0.22 C ATOM 704 O LEU A 60 12.415 -3.775 8.951 1.00 0.31 O ATOM 705 CB LEU A 60 13.117 -1.859 6.321 1.00 0.24 C ATOM 706 CG LEU A 60 14.014 -1.474 5.145 1.00 0.28 C ATOM 707 CD1 LEU A 60 14.221 0.030 5.107 1.00 0.34 C ATOM 708 CD2 LEU A 60 15.340 -2.206 5.234 1.00 0.34 C ATOM 0 H LEU A 60 12.542 -3.635 4.662 1.00 0.20 H new ATOM 0 HA LEU A 60 14.064 -3.672 7.004 1.00 0.23 H new ATOM 0 HB2 LEU A 60 12.102 -1.529 6.100 1.00 0.24 H new ATOM 0 HB3 LEU A 60 13.448 -1.306 7.200 1.00 0.24 H new ATOM 0 HG LEU A 60 13.525 -1.770 4.217 1.00 0.28 H new ATOM 0 HD11 LEU A 60 14.862 0.288 4.264 1.00 0.34 H new ATOM 0 HD12 LEU A 60 13.257 0.527 4.996 1.00 0.34 H new ATOM 0 HD13 LEU A 60 14.692 0.356 6.034 1.00 0.34 H new ATOM 0 HD21 LEU A 60 15.969 -1.923 4.390 1.00 0.34 H new ATOM 0 HD22 LEU A 60 15.840 -1.941 6.165 1.00 0.34 H new ATOM 0 HD23 LEU A 60 15.164 -3.281 5.210 1.00 0.34 H new ATOM 720 N LEU A 61 10.800 -3.480 7.416 1.00 0.19 N ATOM 721 CA LEU A 61 9.694 -3.563 8.364 1.00 0.23 C ATOM 722 C LEU A 61 9.328 -5.016 8.666 1.00 0.27 C ATOM 723 O LEU A 61 8.431 -5.283 9.468 1.00 0.36 O ATOM 724 CB LEU A 61 8.486 -2.830 7.792 1.00 0.24 C ATOM 725 CG LEU A 61 8.767 -1.394 7.357 1.00 0.22 C ATOM 726 CD1 LEU A 61 7.977 -1.066 6.114 1.00 0.26 C ATOM 727 CD2 LEU A 61 8.425 -0.415 8.463 1.00 0.27 C ATOM 0 H LEU A 61 10.508 -3.362 6.446 1.00 0.19 H new ATOM 0 HA LEU A 61 10.004 -3.096 9.299 1.00 0.23 H new ATOM 0 HB2 LEU A 61 8.109 -3.389 6.935 1.00 0.24 H new ATOM 0 HB3 LEU A 61 7.694 -2.821 8.540 1.00 0.24 H new ATOM 0 HG LEU A 61 9.831 -1.305 7.140 1.00 0.22 H new ATOM 0 HD11 LEU A 61 8.184 -0.040 5.812 1.00 0.26 H new ATOM 0 HD12 LEU A 61 8.263 -1.746 5.311 1.00 0.26 H new ATOM 0 HD13 LEU A 61 6.912 -1.176 6.320 1.00 0.26 H new ATOM 0 HD21 LEU A 61 8.634 0.601 8.127 1.00 0.27 H new ATOM 0 HD22 LEU A 61 7.368 -0.504 8.713 1.00 0.27 H new ATOM 0 HD23 LEU A 61 9.027 -0.637 9.344 1.00 0.27 H new ATOM 739 N ASN A 62 10.023 -5.936 7.998 1.00 0.24 N ATOM 740 CA ASN A 62 9.852 -7.376 8.209 1.00 0.30 C ATOM 741 C ASN A 62 8.497 -7.841 7.680 1.00 0.28 C ATOM 742 O ASN A 62 7.826 -8.688 8.266 1.00 0.34 O ATOM 743 CB ASN A 62 10.032 -7.733 9.692 1.00 0.41 C ATOM 744 CG ASN A 62 10.116 -9.230 9.949 1.00 1.11 C ATOM 745 OD1 ASN A 62 9.120 -9.879 10.268 1.00 1.89 O ATOM 746 ND2 ASN A 62 11.306 -9.790 9.800 1.00 1.87 N ATOM 0 H ASN A 62 10.723 -5.705 7.293 1.00 0.24 H new ATOM 0 HA ASN A 62 10.624 -7.903 7.648 1.00 0.30 H new ATOM 0 HB2 ASN A 62 10.939 -7.257 10.065 1.00 0.41 H new ATOM 0 HB3 ASN A 62 9.198 -7.321 10.261 1.00 0.41 H new ATOM 0 HD21 ASN A 62 11.420 -10.792 9.951 1.00 1.87 H new ATOM 0 HD22 ASN A 62 12.109 -9.219 9.535 1.00 1.87 H new ATOM 753 N ILE A 63 8.090 -7.266 6.562 1.00 0.23 N ATOM 754 CA ILE A 63 6.868 -7.672 5.894 1.00 0.24 C ATOM 755 C ILE A 63 7.139 -8.855 4.979 1.00 0.24 C ATOM 756 O ILE A 63 8.213 -8.964 4.386 1.00 0.23 O ATOM 757 CB ILE A 63 6.284 -6.506 5.078 1.00 0.22 C ATOM 758 CG1 ILE A 63 6.000 -5.332 6.008 1.00 0.24 C ATOM 759 CG2 ILE A 63 5.016 -6.927 4.344 1.00 0.26 C ATOM 760 CD1 ILE A 63 5.852 -4.024 5.283 1.00 0.22 C ATOM 0 H ILE A 63 8.593 -6.511 6.096 1.00 0.23 H new ATOM 0 HA ILE A 63 6.143 -7.965 6.654 1.00 0.24 H new ATOM 0 HB ILE A 63 7.013 -6.205 4.326 1.00 0.22 H new ATOM 0 HG12 ILE A 63 5.088 -5.534 6.569 1.00 0.24 H new ATOM 0 HG13 ILE A 63 6.809 -5.248 6.734 1.00 0.24 H new ATOM 0 HG21 ILE A 63 4.627 -6.082 3.776 1.00 0.26 H new ATOM 0 HG22 ILE A 63 5.245 -7.747 3.663 1.00 0.26 H new ATOM 0 HG23 ILE A 63 4.269 -7.254 5.067 1.00 0.26 H new ATOM 0 HD11 ILE A 63 5.651 -3.230 6.002 1.00 0.22 H new ATOM 0 HD12 ILE A 63 6.773 -3.801 4.744 1.00 0.22 H new ATOM 0 HD13 ILE A 63 5.025 -4.091 4.576 1.00 0.22 H new ATOM 772 N LYS A 64 6.159 -9.731 4.872 1.00 0.29 N ATOM 773 CA LYS A 64 6.283 -10.928 4.064 1.00 0.31 C ATOM 774 C LYS A 64 5.671 -10.692 2.688 1.00 0.29 C ATOM 775 O LYS A 64 4.475 -10.435 2.558 1.00 0.31 O ATOM 776 CB LYS A 64 5.622 -12.132 4.763 1.00 0.41 C ATOM 777 CG LYS A 64 4.206 -11.883 5.277 1.00 0.87 C ATOM 778 CD LYS A 64 4.187 -11.195 6.637 1.00 0.85 C ATOM 779 CE LYS A 64 2.766 -10.899 7.092 1.00 1.65 C ATOM 780 NZ LYS A 64 2.733 -10.173 8.388 1.00 2.22 N ATOM 0 H LYS A 64 5.258 -9.634 5.341 1.00 0.29 H new ATOM 0 HA LYS A 64 7.341 -11.158 3.939 1.00 0.31 H new ATOM 0 HB2 LYS A 64 5.597 -12.969 4.065 1.00 0.41 H new ATOM 0 HB3 LYS A 64 6.249 -12.435 5.602 1.00 0.41 H new ATOM 0 HG2 LYS A 64 3.665 -11.270 4.556 1.00 0.87 H new ATOM 0 HG3 LYS A 64 3.677 -12.833 5.348 1.00 0.87 H new ATOM 0 HD2 LYS A 64 4.681 -11.829 7.373 1.00 0.85 H new ATOM 0 HD3 LYS A 64 4.754 -10.266 6.584 1.00 0.85 H new ATOM 0 HE2 LYS A 64 2.259 -10.305 6.332 1.00 1.65 H new ATOM 0 HE3 LYS A 64 2.214 -11.834 7.187 1.00 1.65 H new ATOM 0 HZ1 LYS A 64 1.746 -9.992 8.660 1.00 2.22 H new ATOM 0 HZ2 LYS A 64 3.194 -10.750 9.121 1.00 2.22 H new ATOM 0 HZ3 LYS A 64 3.237 -9.268 8.292 1.00 2.22 H new ATOM 794 N ILE A 65 6.509 -10.788 1.667 1.00 0.26 N ATOM 795 CA ILE A 65 6.112 -10.482 0.298 1.00 0.25 C ATOM 796 C ILE A 65 5.213 -11.579 -0.271 1.00 0.29 C ATOM 797 O ILE A 65 4.223 -11.299 -0.944 1.00 0.27 O ATOM 798 CB ILE A 65 7.350 -10.290 -0.625 1.00 0.25 C ATOM 799 CG1 ILE A 65 8.040 -8.942 -0.375 1.00 0.24 C ATOM 800 CG2 ILE A 65 6.957 -10.378 -2.088 1.00 0.28 C ATOM 801 CD1 ILE A 65 8.650 -8.782 1.003 1.00 0.24 C ATOM 0 H ILE A 65 7.482 -11.079 1.762 1.00 0.26 H new ATOM 0 HA ILE A 65 5.554 -9.546 0.329 1.00 0.25 H new ATOM 0 HB ILE A 65 8.047 -11.093 -0.385 1.00 0.25 H new ATOM 0 HG12 ILE A 65 8.824 -8.808 -1.121 1.00 0.24 H new ATOM 0 HG13 ILE A 65 7.313 -8.144 -0.529 1.00 0.24 H new ATOM 0 HG21 ILE A 65 7.841 -10.240 -2.711 1.00 0.28 H new ATOM 0 HG22 ILE A 65 6.520 -11.356 -2.289 1.00 0.28 H new ATOM 0 HG23 ILE A 65 6.228 -9.601 -2.316 1.00 0.28 H new ATOM 0 HD11 ILE A 65 9.114 -7.799 1.084 1.00 0.24 H new ATOM 0 HD12 ILE A 65 7.871 -8.879 1.759 1.00 0.24 H new ATOM 0 HD13 ILE A 65 9.405 -9.553 1.159 1.00 0.24 H new ATOM 813 N GLY A 66 5.548 -12.826 0.034 1.00 0.38 N ATOM 814 CA GLY A 66 4.810 -13.952 -0.509 1.00 0.46 C ATOM 815 C GLY A 66 3.410 -14.075 0.061 1.00 0.49 C ATOM 816 O GLY A 66 2.602 -14.860 -0.431 1.00 0.57 O ATOM 0 H GLY A 66 6.320 -13.079 0.650 1.00 0.38 H new ATOM 0 HA2 GLY A 66 4.747 -13.849 -1.592 1.00 0.46 H new ATOM 0 HA3 GLY A 66 5.360 -14.871 -0.307 1.00 0.46 H new ATOM 820 N ASP A 67 3.117 -13.299 1.094 1.00 0.47 N ATOM 821 CA ASP A 67 1.808 -13.350 1.733 1.00 0.52 C ATOM 822 C ASP A 67 1.005 -12.086 1.432 1.00 0.45 C ATOM 823 O ASP A 67 -0.099 -11.898 1.940 1.00 0.53 O ATOM 824 CB ASP A 67 1.965 -13.544 3.244 1.00 0.64 C ATOM 825 CG ASP A 67 0.639 -13.714 3.959 1.00 0.75 C ATOM 826 OD1 ASP A 67 -0.067 -14.704 3.684 1.00 0.86 O ATOM 827 OD2 ASP A 67 0.297 -12.860 4.805 1.00 0.85 O ATOM 0 H ASP A 67 3.765 -12.628 1.507 1.00 0.47 H new ATOM 0 HA ASP A 67 1.259 -14.200 1.327 1.00 0.52 H new ATOM 0 HB2 ASP A 67 2.587 -14.420 3.430 1.00 0.64 H new ATOM 0 HB3 ASP A 67 2.490 -12.685 3.663 1.00 0.64 H new ATOM 832 N LEU A 68 1.561 -11.221 0.592 1.00 0.36 N ATOM 833 CA LEU A 68 0.875 -10.000 0.197 1.00 0.32 C ATOM 834 C LEU A 68 -0.242 -10.313 -0.789 1.00 0.35 C ATOM 835 O LEU A 68 -0.107 -11.193 -1.639 1.00 0.46 O ATOM 836 CB LEU A 68 1.864 -9.011 -0.407 1.00 0.26 C ATOM 837 CG LEU A 68 2.944 -8.528 0.552 1.00 0.26 C ATOM 838 CD1 LEU A 68 3.914 -7.600 -0.155 1.00 0.27 C ATOM 839 CD2 LEU A 68 2.303 -7.839 1.740 1.00 0.35 C ATOM 0 H LEU A 68 2.483 -11.343 0.173 1.00 0.36 H new ATOM 0 HA LEU A 68 0.431 -9.546 1.083 1.00 0.32 H new ATOM 0 HB2 LEU A 68 2.343 -9.477 -1.268 1.00 0.26 H new ATOM 0 HB3 LEU A 68 1.313 -8.147 -0.778 1.00 0.26 H new ATOM 0 HG LEU A 68 3.510 -9.388 0.910 1.00 0.26 H new ATOM 0 HD11 LEU A 68 4.677 -7.267 0.548 1.00 0.27 H new ATOM 0 HD12 LEU A 68 4.388 -8.130 -0.981 1.00 0.27 H new ATOM 0 HD13 LEU A 68 3.374 -6.735 -0.541 1.00 0.27 H new ATOM 0 HD21 LEU A 68 3.079 -7.495 2.424 1.00 0.35 H new ATOM 0 HD22 LEU A 68 1.720 -6.986 1.394 1.00 0.35 H new ATOM 0 HD23 LEU A 68 1.648 -8.540 2.258 1.00 0.35 H new ATOM 851 N LYS A 69 -1.346 -9.589 -0.663 1.00 0.33 N ATOM 852 CA LYS A 69 -2.556 -9.910 -1.422 1.00 0.40 C ATOM 853 C LYS A 69 -2.688 -9.079 -2.703 1.00 0.35 C ATOM 854 O LYS A 69 -2.133 -9.438 -3.740 1.00 0.62 O ATOM 855 CB LYS A 69 -3.812 -9.739 -0.554 1.00 0.48 C ATOM 856 CG LYS A 69 -4.041 -10.853 0.461 1.00 0.69 C ATOM 857 CD LYS A 69 -3.048 -10.797 1.607 1.00 1.45 C ATOM 858 CE LYS A 69 -3.280 -11.919 2.607 1.00 1.54 C ATOM 859 NZ LYS A 69 -2.292 -11.882 3.720 1.00 2.01 N ATOM 0 H LYS A 69 -1.433 -8.780 -0.048 1.00 0.33 H new ATOM 0 HA LYS A 69 -2.464 -10.955 -1.718 1.00 0.40 H new ATOM 0 HB2 LYS A 69 -3.743 -8.790 -0.022 1.00 0.48 H new ATOM 0 HB3 LYS A 69 -4.683 -9.676 -1.207 1.00 0.48 H new ATOM 0 HG2 LYS A 69 -5.054 -10.779 0.856 1.00 0.69 H new ATOM 0 HG3 LYS A 69 -3.963 -11.819 -0.038 1.00 0.69 H new ATOM 0 HD2 LYS A 69 -2.034 -10.864 1.213 1.00 1.45 H new ATOM 0 HD3 LYS A 69 -3.130 -9.835 2.113 1.00 1.45 H new ATOM 0 HE2 LYS A 69 -4.288 -11.841 3.014 1.00 1.54 H new ATOM 0 HE3 LYS A 69 -3.216 -12.880 2.096 1.00 1.54 H new ATOM 0 HZ1 LYS A 69 -2.418 -12.719 4.324 1.00 2.01 H new ATOM 0 HZ2 LYS A 69 -1.328 -11.880 3.329 1.00 2.01 H new ATOM 0 HZ3 LYS A 69 -2.438 -11.021 4.285 1.00 2.01 H new ATOM 873 N ASP A 70 -3.419 -7.969 -2.623 1.00 0.22 N ATOM 874 CA ASP A 70 -3.751 -7.181 -3.813 1.00 0.18 C ATOM 875 C ASP A 70 -2.600 -6.287 -4.249 1.00 0.15 C ATOM 876 O ASP A 70 -1.670 -6.739 -4.915 1.00 0.21 O ATOM 877 CB ASP A 70 -5.012 -6.347 -3.573 1.00 0.23 C ATOM 878 CG ASP A 70 -6.276 -7.164 -3.729 1.00 0.69 C ATOM 879 OD1 ASP A 70 -6.782 -7.274 -4.867 1.00 1.07 O ATOM 880 OD2 ASP A 70 -6.780 -7.687 -2.712 1.00 1.09 O ATOM 0 H ASP A 70 -3.793 -7.594 -1.751 1.00 0.22 H new ATOM 0 HA ASP A 70 -3.940 -7.886 -4.622 1.00 0.18 H new ATOM 0 HB2 ASP A 70 -4.978 -5.921 -2.570 1.00 0.23 H new ATOM 0 HB3 ASP A 70 -5.032 -5.512 -4.274 1.00 0.23 H new ATOM 885 N LEU A 71 -2.659 -5.017 -3.885 1.00 0.14 N ATOM 886 CA LEU A 71 -1.572 -4.100 -4.186 1.00 0.13 C ATOM 887 C LEU A 71 -0.916 -3.606 -2.918 1.00 0.13 C ATOM 888 O LEU A 71 -1.460 -3.733 -1.822 1.00 0.15 O ATOM 889 CB LEU A 71 -2.038 -2.867 -4.965 1.00 0.12 C ATOM 890 CG LEU A 71 -2.447 -3.072 -6.423 1.00 0.12 C ATOM 891 CD1 LEU A 71 -1.598 -4.141 -7.090 1.00 0.15 C ATOM 892 CD2 LEU A 71 -3.932 -3.383 -6.536 1.00 0.12 C ATOM 0 H LEU A 71 -3.443 -4.599 -3.384 1.00 0.14 H new ATOM 0 HA LEU A 71 -0.871 -4.669 -4.796 1.00 0.13 H new ATOM 0 HB2 LEU A 71 -2.886 -2.434 -4.435 1.00 0.12 H new ATOM 0 HB3 LEU A 71 -1.236 -2.129 -4.940 1.00 0.12 H new ATOM 0 HG LEU A 71 -2.266 -2.138 -6.955 1.00 0.12 H new ATOM 0 HD11 LEU A 71 -1.914 -4.263 -8.126 1.00 0.15 H new ATOM 0 HD12 LEU A 71 -0.550 -3.843 -7.063 1.00 0.15 H new ATOM 0 HD13 LEU A 71 -1.720 -5.086 -6.560 1.00 0.15 H new ATOM 0 HD21 LEU A 71 -4.195 -3.524 -7.584 1.00 0.12 H new ATOM 0 HD22 LEU A 71 -4.157 -4.293 -5.980 1.00 0.12 H new ATOM 0 HD23 LEU A 71 -4.509 -2.555 -6.125 1.00 0.12 H new ATOM 904 N VAL A 72 0.254 -3.046 -3.097 1.00 0.14 N ATOM 905 CA VAL A 72 0.922 -2.302 -2.054 1.00 0.14 C ATOM 906 C VAL A 72 1.005 -0.864 -2.546 1.00 0.14 C ATOM 907 O VAL A 72 0.647 -0.590 -3.689 1.00 0.16 O ATOM 908 CB VAL A 72 2.332 -2.875 -1.696 1.00 0.18 C ATOM 909 CG1 VAL A 72 2.462 -4.336 -2.110 1.00 0.25 C ATOM 910 CG2 VAL A 72 3.467 -2.038 -2.267 1.00 0.21 C ATOM 0 H VAL A 72 0.774 -3.092 -3.973 1.00 0.14 H new ATOM 0 HA VAL A 72 0.359 -2.374 -1.124 1.00 0.14 H new ATOM 0 HB VAL A 72 2.419 -2.823 -0.611 1.00 0.18 H new ATOM 0 HG11 VAL A 72 3.454 -4.702 -1.846 1.00 0.25 H new ATOM 0 HG12 VAL A 72 1.707 -4.929 -1.593 1.00 0.25 H new ATOM 0 HG13 VAL A 72 2.317 -4.423 -3.187 1.00 0.25 H new ATOM 0 HG21 VAL A 72 4.423 -2.482 -1.988 1.00 0.21 H new ATOM 0 HG22 VAL A 72 3.385 -2.007 -3.353 1.00 0.21 H new ATOM 0 HG23 VAL A 72 3.408 -1.025 -1.870 1.00 0.21 H new ATOM 920 N GLY A 73 1.431 0.046 -1.713 1.00 0.15 N ATOM 921 CA GLY A 73 1.505 1.423 -2.129 1.00 0.18 C ATOM 922 C GLY A 73 2.736 2.085 -1.588 1.00 0.22 C ATOM 923 O GLY A 73 3.104 1.843 -0.440 1.00 0.37 O ATOM 0 H GLY A 73 1.729 -0.135 -0.754 1.00 0.15 H new ATOM 0 HA2 GLY A 73 1.508 1.478 -3.218 1.00 0.18 H new ATOM 0 HA3 GLY A 73 0.620 1.958 -1.785 1.00 0.18 H new ATOM 927 N LEU A 74 3.399 2.898 -2.396 1.00 0.15 N ATOM 928 CA LEU A 74 4.555 3.612 -1.898 1.00 0.15 C ATOM 929 C LEU A 74 4.264 5.099 -1.810 1.00 0.14 C ATOM 930 O LEU A 74 3.688 5.695 -2.726 1.00 0.16 O ATOM 931 CB LEU A 74 5.852 3.295 -2.696 1.00 0.20 C ATOM 932 CG LEU A 74 6.084 3.972 -4.063 1.00 0.22 C ATOM 933 CD1 LEU A 74 4.881 3.825 -4.979 1.00 0.24 C ATOM 934 CD2 LEU A 74 6.497 5.437 -3.901 1.00 0.29 C ATOM 0 H LEU A 74 3.162 3.075 -3.372 1.00 0.15 H new ATOM 0 HA LEU A 74 4.753 3.255 -0.887 1.00 0.15 H new ATOM 0 HB2 LEU A 74 6.699 3.548 -2.058 1.00 0.20 H new ATOM 0 HB3 LEU A 74 5.883 2.217 -2.855 1.00 0.20 H new ATOM 0 HG LEU A 74 6.913 3.452 -4.543 1.00 0.22 H new ATOM 0 HD11 LEU A 74 5.086 4.316 -5.931 1.00 0.24 H new ATOM 0 HD12 LEU A 74 4.682 2.767 -5.151 1.00 0.24 H new ATOM 0 HD13 LEU A 74 4.010 4.287 -4.513 1.00 0.24 H new ATOM 0 HD21 LEU A 74 6.652 5.882 -4.884 1.00 0.29 H new ATOM 0 HD22 LEU A 74 5.711 5.981 -3.376 1.00 0.29 H new ATOM 0 HD23 LEU A 74 7.422 5.493 -3.327 1.00 0.29 H new ATOM 946 N ASN A 75 4.613 5.659 -0.664 1.00 0.18 N ATOM 947 CA ASN A 75 4.501 7.087 -0.402 1.00 0.20 C ATOM 948 C ASN A 75 3.060 7.556 -0.572 1.00 0.22 C ATOM 949 O ASN A 75 2.788 8.572 -1.214 1.00 0.28 O ATOM 950 CB ASN A 75 5.432 7.864 -1.325 1.00 0.25 C ATOM 951 CG ASN A 75 5.949 9.127 -0.681 1.00 0.91 C ATOM 952 OD1 ASN A 75 5.347 10.195 -0.789 1.00 1.85 O ATOM 953 ND2 ASN A 75 7.066 9.005 0.010 1.00 0.92 N ATOM 0 H ASN A 75 4.988 5.128 0.123 1.00 0.18 H new ATOM 0 HA ASN A 75 4.797 7.275 0.630 1.00 0.20 H new ATOM 0 HB2 ASN A 75 6.273 7.231 -1.606 1.00 0.25 H new ATOM 0 HB3 ASN A 75 4.902 8.117 -2.243 1.00 0.25 H new ATOM 0 HD21 ASN A 75 7.465 9.816 0.482 1.00 0.92 H new ATOM 0 HD22 ASN A 75 7.531 8.099 0.072 1.00 0.92 H new ATOM 960 N CYS A 76 2.144 6.802 0.008 1.00 0.24 N ATOM 961 CA CYS A 76 0.728 7.085 -0.108 1.00 0.28 C ATOM 962 C CYS A 76 0.291 8.124 0.916 1.00 0.33 C ATOM 963 O CYS A 76 0.767 8.135 2.052 1.00 0.39 O ATOM 964 CB CYS A 76 -0.077 5.801 0.081 1.00 0.33 C ATOM 965 SG CYS A 76 0.476 4.425 -0.974 1.00 1.12 S ATOM 0 H CYS A 76 2.361 5.979 0.571 1.00 0.24 H new ATOM 0 HA CYS A 76 0.542 7.487 -1.104 1.00 0.28 H new ATOM 0 HB2 CYS A 76 -0.014 5.494 1.125 1.00 0.33 H new ATOM 0 HB3 CYS A 76 -1.127 6.007 -0.128 1.00 0.33 H new ATOM 970 N SER A 77 -0.607 8.995 0.496 1.00 0.35 N ATOM 971 CA SER A 77 -1.176 10.003 1.373 1.00 0.39 C ATOM 972 C SER A 77 -2.405 9.428 2.076 1.00 0.38 C ATOM 973 O SER A 77 -3.381 9.052 1.418 1.00 0.37 O ATOM 974 CB SER A 77 -1.549 11.251 0.565 1.00 0.43 C ATOM 975 OG SER A 77 -1.958 12.317 1.406 1.00 1.26 O ATOM 0 H SER A 77 -0.962 9.025 -0.460 1.00 0.35 H new ATOM 0 HA SER A 77 -0.441 10.290 2.125 1.00 0.39 H new ATOM 0 HB2 SER A 77 -0.694 11.567 -0.033 1.00 0.43 H new ATOM 0 HB3 SER A 77 -2.352 11.008 -0.131 1.00 0.43 H new ATOM 0 HG SER A 77 -2.187 13.097 0.858 1.00 1.26 H new ATOM 981 N PRO A 78 -2.359 9.307 3.416 1.00 0.44 N ATOM 982 CA PRO A 78 -3.475 8.775 4.204 1.00 0.46 C ATOM 983 C PRO A 78 -4.690 9.698 4.210 1.00 0.47 C ATOM 984 O PRO A 78 -4.607 10.859 4.613 1.00 0.54 O ATOM 985 CB PRO A 78 -2.905 8.642 5.623 1.00 0.56 C ATOM 986 CG PRO A 78 -1.427 8.788 5.478 1.00 0.61 C ATOM 987 CD PRO A 78 -1.211 9.649 4.269 1.00 0.56 C ATOM 0 HA PRO A 78 -3.834 7.834 3.787 1.00 0.46 H new ATOM 0 HB2 PRO A 78 -3.312 9.409 6.282 1.00 0.56 H new ATOM 0 HB3 PRO A 78 -3.162 7.677 6.060 1.00 0.56 H new ATOM 0 HG2 PRO A 78 -0.992 9.247 6.366 1.00 0.61 H new ATOM 0 HG3 PRO A 78 -0.950 7.816 5.355 1.00 0.61 H new ATOM 0 HD2 PRO A 78 -1.198 10.709 4.524 1.00 0.56 H new ATOM 0 HD3 PRO A 78 -0.263 9.428 3.779 1.00 0.56 H new ATOM 995 N LEU A 79 -5.811 9.163 3.761 1.00 0.44 N ATOM 996 CA LEU A 79 -7.066 9.889 3.727 1.00 0.49 C ATOM 997 C LEU A 79 -7.992 9.343 4.812 1.00 0.57 C ATOM 998 O LEU A 79 -8.778 8.424 4.569 1.00 0.60 O ATOM 999 CB LEU A 79 -7.724 9.705 2.357 1.00 0.46 C ATOM 1000 CG LEU A 79 -6.775 9.760 1.155 1.00 0.38 C ATOM 1001 CD1 LEU A 79 -7.507 9.383 -0.117 1.00 0.77 C ATOM 1002 CD2 LEU A 79 -6.148 11.135 1.009 1.00 0.86 C ATOM 0 H LEU A 79 -5.876 8.208 3.408 1.00 0.44 H new ATOM 0 HA LEU A 79 -6.881 10.949 3.902 1.00 0.49 H new ATOM 0 HB2 LEU A 79 -8.239 8.744 2.347 1.00 0.46 H new ATOM 0 HB3 LEU A 79 -8.485 10.476 2.232 1.00 0.46 H new ATOM 0 HG LEU A 79 -5.976 9.040 1.330 1.00 0.38 H new ATOM 0 HD11 LEU A 79 -6.818 9.427 -0.960 1.00 0.77 H new ATOM 0 HD12 LEU A 79 -7.901 8.371 -0.024 1.00 0.77 H new ATOM 0 HD13 LEU A 79 -8.329 10.079 -0.283 1.00 0.77 H new ATOM 0 HD21 LEU A 79 -5.480 11.141 0.147 1.00 0.86 H new ATOM 0 HD22 LEU A 79 -6.932 11.879 0.866 1.00 0.86 H new ATOM 0 HD23 LEU A 79 -5.581 11.374 1.909 1.00 0.86 H new ATOM 1014 N SER A 80 -7.895 9.898 6.007 1.00 0.65 N ATOM 1015 CA SER A 80 -8.683 9.412 7.129 1.00 0.75 C ATOM 1016 C SER A 80 -9.920 10.275 7.333 1.00 0.83 C ATOM 1017 O SER A 80 -11.038 9.760 7.417 1.00 0.89 O ATOM 1018 CB SER A 80 -7.822 9.370 8.396 1.00 0.87 C ATOM 1019 OG SER A 80 -7.244 10.636 8.674 1.00 1.37 O ATOM 0 H SER A 80 -7.281 10.683 6.227 1.00 0.65 H new ATOM 0 HA SER A 80 -9.020 8.399 6.909 1.00 0.75 H new ATOM 0 HB2 SER A 80 -8.433 9.054 9.242 1.00 0.87 H new ATOM 0 HB3 SER A 80 -7.033 8.627 8.277 1.00 0.87 H new ATOM 0 HG SER A 80 -6.702 10.577 9.489 1.00 1.37 H new ATOM 1025 N VAL A 81 -9.722 11.582 7.395 1.00 0.95 N ATOM 1026 CA VAL A 81 -10.830 12.512 7.527 1.00 1.10 C ATOM 1027 C VAL A 81 -11.253 13.037 6.159 1.00 1.08 C ATOM 1028 O VAL A 81 -10.611 13.913 5.579 1.00 1.18 O ATOM 1029 CB VAL A 81 -10.497 13.689 8.472 1.00 1.32 C ATOM 1030 CG1 VAL A 81 -10.466 13.214 9.916 1.00 1.60 C ATOM 1031 CG2 VAL A 81 -9.168 14.341 8.108 1.00 1.25 C ATOM 0 H VAL A 81 -8.803 12.022 7.356 1.00 0.95 H new ATOM 0 HA VAL A 81 -11.659 11.962 7.972 1.00 1.10 H new ATOM 0 HB VAL A 81 -11.281 14.437 8.357 1.00 1.32 H new ATOM 0 HG11 VAL A 81 -10.230 14.053 10.570 1.00 1.60 H new ATOM 0 HG12 VAL A 81 -11.440 12.806 10.186 1.00 1.60 H new ATOM 0 HG13 VAL A 81 -9.705 12.441 10.029 1.00 1.60 H new ATOM 0 HG21 VAL A 81 -8.967 15.164 8.793 1.00 1.25 H new ATOM 0 HG22 VAL A 81 -8.369 13.604 8.182 1.00 1.25 H new ATOM 0 HG23 VAL A 81 -9.217 14.722 7.088 1.00 1.25 H new ATOM 1041 N ILE A 82 -12.331 12.484 5.639 1.00 1.13 N ATOM 1042 CA ILE A 82 -12.801 12.840 4.313 1.00 1.24 C ATOM 1043 C ILE A 82 -14.177 13.484 4.376 1.00 1.42 C ATOM 1044 O ILE A 82 -15.040 13.055 5.145 1.00 1.85 O ATOM 1045 CB ILE A 82 -12.860 11.626 3.380 1.00 1.44 C ATOM 1046 CG1 ILE A 82 -11.510 10.911 3.379 1.00 1.62 C ATOM 1047 CG2 ILE A 82 -13.239 12.072 1.972 1.00 1.64 C ATOM 1048 CD1 ILE A 82 -11.401 9.847 2.320 1.00 1.32 C ATOM 0 H ILE A 82 -12.900 11.784 6.115 1.00 1.13 H new ATOM 0 HA ILE A 82 -12.081 13.553 3.911 1.00 1.24 H new ATOM 0 HB ILE A 82 -13.620 10.930 3.736 1.00 1.44 H new ATOM 0 HG12 ILE A 82 -10.718 11.645 3.230 1.00 1.62 H new ATOM 0 HG13 ILE A 82 -11.345 10.459 4.357 1.00 1.62 H new ATOM 0 HG21 ILE A 82 -13.279 11.204 1.314 1.00 1.64 H new ATOM 0 HG22 ILE A 82 -14.215 12.556 1.994 1.00 1.64 H new ATOM 0 HG23 ILE A 82 -12.494 12.775 1.600 1.00 1.64 H new ATOM 0 HD11 ILE A 82 -10.418 9.379 2.374 1.00 1.32 H new ATOM 0 HD12 ILE A 82 -12.171 9.093 2.481 1.00 1.32 H new ATOM 0 HD13 ILE A 82 -11.534 10.298 1.336 1.00 1.32 H new ATOM 1060 N GLY A 83 -14.372 14.510 3.566 1.00 1.67 N ATOM 1061 CA GLY A 83 -15.647 15.177 3.496 1.00 1.97 C ATOM 1062 C GLY A 83 -15.742 16.044 2.264 1.00 2.49 C ATOM 1063 O GLY A 83 -15.689 15.537 1.144 1.00 3.18 O ATOM 0 H GLY A 83 -13.657 14.895 2.949 1.00 1.67 H new ATOM 0 HA2 GLY A 83 -16.447 14.437 3.486 1.00 1.97 H new ATOM 0 HA3 GLY A 83 -15.790 15.789 4.387 1.00 1.97 H new ATOM 1067 N VAL A 84 -15.854 17.348 2.462 1.00 2.72 N ATOM 1068 CA VAL A 84 -15.862 18.284 1.347 1.00 3.60 C ATOM 1069 C VAL A 84 -14.457 18.393 0.767 1.00 3.85 C ATOM 1070 O VAL A 84 -14.273 18.621 -0.432 1.00 4.33 O ATOM 1071 CB VAL A 84 -16.362 19.679 1.778 1.00 4.14 C ATOM 1072 CG1 VAL A 84 -16.513 20.597 0.573 1.00 4.69 C ATOM 1073 CG2 VAL A 84 -17.678 19.565 2.531 1.00 4.36 C ATOM 0 H VAL A 84 -15.940 17.782 3.381 1.00 2.72 H new ATOM 0 HA VAL A 84 -16.549 17.905 0.590 1.00 3.60 H new ATOM 0 HB VAL A 84 -15.619 20.115 2.446 1.00 4.14 H new ATOM 0 HG11 VAL A 84 -16.867 21.574 0.902 1.00 4.69 H new ATOM 0 HG12 VAL A 84 -15.549 20.708 0.077 1.00 4.69 H new ATOM 0 HG13 VAL A 84 -17.232 20.167 -0.124 1.00 4.69 H new ATOM 0 HG21 VAL A 84 -18.015 20.558 2.827 1.00 4.36 H new ATOM 0 HG22 VAL A 84 -18.427 19.105 1.887 1.00 4.36 H new ATOM 0 HG23 VAL A 84 -17.537 18.950 3.420 1.00 4.36 H new ATOM 1083 N GLY A 85 -13.471 18.221 1.636 1.00 3.93 N ATOM 1084 CA GLY A 85 -12.090 18.179 1.205 1.00 4.35 C ATOM 1085 C GLY A 85 -11.538 16.771 1.264 1.00 3.60 C ATOM 1086 O GLY A 85 -11.714 15.988 0.329 1.00 3.72 O ATOM 0 H GLY A 85 -13.606 18.109 2.641 1.00 3.93 H new ATOM 0 HA2 GLY A 85 -12.013 18.560 0.187 1.00 4.35 H new ATOM 0 HA3 GLY A 85 -11.490 18.834 1.836 1.00 4.35 H new ATOM 1090 N GLY A 86 -10.897 16.437 2.377 1.00 3.27 N ATOM 1091 CA GLY A 86 -10.344 15.109 2.543 1.00 2.85 C ATOM 1092 C GLY A 86 -8.976 14.977 1.909 1.00 2.81 C ATOM 1093 O GLY A 86 -8.766 14.113 1.054 1.00 3.23 O ATOM 0 H GLY A 86 -10.751 17.064 3.168 1.00 3.27 H new ATOM 0 HA2 GLY A 86 -10.274 14.876 3.606 1.00 2.85 H new ATOM 0 HA3 GLY A 86 -11.020 14.378 2.100 1.00 2.85 H new ATOM 1097 N ASN A 87 -8.053 15.843 2.329 1.00 2.92 N ATOM 1098 CA ASN A 87 -6.691 15.862 1.791 1.00 3.48 C ATOM 1099 C ASN A 87 -6.703 16.241 0.312 1.00 3.28 C ATOM 1100 O ASN A 87 -7.726 16.676 -0.222 1.00 3.84 O ATOM 1101 CB ASN A 87 -6.008 14.501 1.983 1.00 4.25 C ATOM 1102 CG ASN A 87 -5.666 14.200 3.432 1.00 4.88 C ATOM 1103 OD1 ASN A 87 -6.479 13.651 4.176 1.00 5.20 O ATOM 1104 ND2 ASN A 87 -4.454 14.549 3.839 1.00 5.47 N ATOM 0 H ASN A 87 -8.226 16.547 3.047 1.00 2.92 H new ATOM 0 HA ASN A 87 -6.123 16.613 2.340 1.00 3.48 H new ATOM 0 HB2 ASN A 87 -6.662 13.717 1.601 1.00 4.25 H new ATOM 0 HB3 ASN A 87 -5.095 14.473 1.388 1.00 4.25 H new ATOM 0 HD21 ASN A 87 -4.166 14.364 4.800 1.00 5.47 H new ATOM 0 HD22 ASN A 87 -3.809 15.002 3.191 1.00 5.47 H new ATOM 1111 N SER A 88 -5.560 16.108 -0.338 1.00 3.02 N ATOM 1112 CA SER A 88 -5.455 16.394 -1.756 1.00 3.21 C ATOM 1113 C SER A 88 -4.971 15.162 -2.511 1.00 2.38 C ATOM 1114 O SER A 88 -3.809 15.087 -2.919 1.00 2.74 O ATOM 1115 CB SER A 88 -4.506 17.571 -1.995 1.00 4.17 C ATOM 1116 OG SER A 88 -4.969 18.740 -1.336 1.00 4.70 O ATOM 0 H SER A 88 -4.689 15.803 0.097 1.00 3.02 H new ATOM 0 HA SER A 88 -6.443 16.664 -2.128 1.00 3.21 H new ATOM 0 HB2 SER A 88 -3.509 17.317 -1.635 1.00 4.17 H new ATOM 0 HB3 SER A 88 -4.420 17.762 -3.065 1.00 4.17 H new ATOM 0 HG SER A 88 -4.346 19.478 -1.502 1.00 4.70 H new ATOM 1122 N CYS A 89 -5.857 14.188 -2.678 1.00 1.64 N ATOM 1123 CA CYS A 89 -5.520 12.985 -3.419 1.00 0.84 C ATOM 1124 C CYS A 89 -5.562 13.254 -4.918 1.00 0.77 C ATOM 1125 O CYS A 89 -6.612 13.161 -5.554 1.00 1.66 O ATOM 1126 CB CYS A 89 -6.456 11.819 -3.070 1.00 0.57 C ATOM 1127 SG CYS A 89 -6.219 10.372 -4.148 1.00 1.17 S ATOM 0 H CYS A 89 -6.809 14.209 -2.312 1.00 1.64 H new ATOM 0 HA CYS A 89 -4.508 12.699 -3.132 1.00 0.84 H new ATOM 0 HB2 CYS A 89 -6.290 11.525 -2.034 1.00 0.57 H new ATOM 0 HB3 CYS A 89 -7.490 12.155 -3.144 1.00 0.57 H new ATOM 1132 N SER A 90 -4.413 13.593 -5.476 1.00 0.94 N ATOM 1133 CA SER A 90 -4.297 13.850 -6.900 1.00 0.87 C ATOM 1134 C SER A 90 -3.636 12.659 -7.591 1.00 0.74 C ATOM 1135 O SER A 90 -3.044 12.789 -8.661 1.00 0.98 O ATOM 1136 CB SER A 90 -3.480 15.122 -7.131 1.00 0.98 C ATOM 1137 OG SER A 90 -3.991 16.199 -6.359 1.00 1.65 O ATOM 0 H SER A 90 -3.540 13.697 -4.959 1.00 0.94 H new ATOM 0 HA SER A 90 -5.292 13.990 -7.323 1.00 0.87 H new ATOM 0 HB2 SER A 90 -2.438 14.943 -6.867 1.00 0.98 H new ATOM 0 HB3 SER A 90 -3.501 15.385 -8.189 1.00 0.98 H new ATOM 0 HG SER A 90 -3.453 17.002 -6.521 1.00 1.65 H new ATOM 1143 N ALA A 91 -3.746 11.496 -6.962 1.00 0.54 N ATOM 1144 CA ALA A 91 -3.133 10.283 -7.474 1.00 0.45 C ATOM 1145 C ALA A 91 -4.107 9.112 -7.402 1.00 0.39 C ATOM 1146 O ALA A 91 -5.321 9.313 -7.318 1.00 0.47 O ATOM 1147 CB ALA A 91 -1.862 9.977 -6.699 1.00 0.45 C ATOM 0 H ALA A 91 -4.259 11.370 -6.089 1.00 0.54 H new ATOM 0 HA ALA A 91 -2.874 10.437 -8.522 1.00 0.45 H new ATOM 0 HB1 ALA A 91 -1.408 9.066 -7.089 1.00 0.45 H new ATOM 0 HB2 ALA A 91 -1.162 10.806 -6.806 1.00 0.45 H new ATOM 0 HB3 ALA A 91 -2.103 9.840 -5.645 1.00 0.45 H new ATOM 1153 N GLN A 92 -3.576 7.895 -7.424 1.00 0.29 N ATOM 1154 CA GLN A 92 -4.393 6.702 -7.442 1.00 0.26 C ATOM 1155 C GLN A 92 -4.901 6.381 -6.034 1.00 0.22 C ATOM 1156 O GLN A 92 -4.120 6.189 -5.100 1.00 0.27 O ATOM 1157 CB GLN A 92 -3.574 5.556 -8.061 1.00 0.25 C ATOM 1158 CG GLN A 92 -3.682 4.229 -7.346 1.00 0.24 C ATOM 1159 CD GLN A 92 -3.232 3.062 -8.204 1.00 0.40 C ATOM 1160 OE1 GLN A 92 -3.733 1.947 -8.060 1.00 0.57 O ATOM 1161 NE2 GLN A 92 -2.287 3.302 -9.101 1.00 0.78 N ATOM 0 H GLN A 92 -2.572 7.715 -7.430 1.00 0.29 H new ATOM 0 HA GLN A 92 -5.281 6.852 -8.056 1.00 0.26 H new ATOM 0 HB2 GLN A 92 -3.892 5.421 -9.095 1.00 0.25 H new ATOM 0 HB3 GLN A 92 -2.525 5.853 -8.086 1.00 0.25 H new ATOM 0 HG2 GLN A 92 -3.080 4.260 -6.438 1.00 0.24 H new ATOM 0 HG3 GLN A 92 -4.715 4.070 -7.038 1.00 0.24 H new ATOM 0 HE21 GLN A 92 -1.896 4.240 -9.191 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -1.951 2.549 -9.702 1.00 0.78 H new ATOM 1170 N THR A 93 -6.216 6.354 -5.886 1.00 0.18 N ATOM 1171 CA THR A 93 -6.837 6.168 -4.587 1.00 0.17 C ATOM 1172 C THR A 93 -7.161 4.699 -4.345 1.00 0.17 C ATOM 1173 O THR A 93 -7.954 4.090 -5.067 1.00 0.21 O ATOM 1174 CB THR A 93 -8.124 7.002 -4.475 1.00 0.22 C ATOM 1175 OG1 THR A 93 -8.190 7.928 -5.569 1.00 0.39 O ATOM 1176 CG2 THR A 93 -8.160 7.770 -3.163 1.00 0.29 C ATOM 0 H THR A 93 -6.877 6.459 -6.656 1.00 0.18 H new ATOM 0 HA THR A 93 -6.127 6.503 -3.830 1.00 0.17 H new ATOM 0 HB THR A 93 -8.978 6.325 -4.506 1.00 0.22 H new ATOM 0 HG1 THR A 93 -7.669 8.729 -5.351 1.00 0.39 H new ATOM 0 HG21 THR A 93 -9.080 8.352 -3.107 1.00 0.29 H new ATOM 0 HG22 THR A 93 -8.124 7.068 -2.330 1.00 0.29 H new ATOM 0 HG23 THR A 93 -7.302 8.441 -3.110 1.00 0.29 H new ATOM 1184 N VAL A 94 -6.536 4.135 -3.333 1.00 0.16 N ATOM 1185 CA VAL A 94 -6.742 2.739 -2.983 1.00 0.16 C ATOM 1186 C VAL A 94 -7.060 2.574 -1.506 1.00 0.19 C ATOM 1187 O VAL A 94 -6.843 3.477 -0.698 1.00 0.22 O ATOM 1188 CB VAL A 94 -5.511 1.875 -3.302 1.00 0.15 C ATOM 1189 CG1 VAL A 94 -5.428 1.545 -4.779 1.00 0.14 C ATOM 1190 CG2 VAL A 94 -4.248 2.571 -2.840 1.00 0.18 C ATOM 0 H VAL A 94 -5.874 4.625 -2.731 1.00 0.16 H new ATOM 0 HA VAL A 94 -7.586 2.405 -3.586 1.00 0.16 H new ATOM 0 HB VAL A 94 -5.614 0.934 -2.761 1.00 0.15 H new ATOM 0 HG11 VAL A 94 -4.545 0.933 -4.966 1.00 0.14 H new ATOM 0 HG12 VAL A 94 -6.320 0.996 -5.080 1.00 0.14 H new ATOM 0 HG13 VAL A 94 -5.358 2.468 -5.355 1.00 0.14 H new ATOM 0 HG21 VAL A 94 -3.384 1.948 -3.072 1.00 0.18 H new ATOM 0 HG22 VAL A 94 -4.153 3.529 -3.351 1.00 0.18 H new ATOM 0 HG23 VAL A 94 -4.297 2.737 -1.764 1.00 0.18 H new ATOM 1200 N CYS A 95 -7.570 1.411 -1.166 1.00 0.20 N ATOM 1201 CA CYS A 95 -7.892 1.082 0.207 1.00 0.24 C ATOM 1202 C CYS A 95 -7.057 -0.111 0.652 1.00 0.20 C ATOM 1203 O CYS A 95 -7.238 -1.221 0.152 1.00 0.20 O ATOM 1204 CB CYS A 95 -9.384 0.766 0.333 1.00 0.29 C ATOM 1205 SG CYS A 95 -9.952 0.506 2.042 1.00 0.71 S ATOM 0 H CYS A 95 -7.774 0.666 -1.832 1.00 0.20 H new ATOM 0 HA CYS A 95 -7.664 1.934 0.848 1.00 0.24 H new ATOM 0 HB2 CYS A 95 -9.955 1.584 -0.107 1.00 0.29 H new ATOM 0 HB3 CYS A 95 -9.605 -0.128 -0.251 1.00 0.29 H new ATOM 1210 N CYS A 96 -6.120 0.125 1.558 1.00 0.24 N ATOM 1211 CA CYS A 96 -5.239 -0.931 2.042 1.00 0.21 C ATOM 1212 C CYS A 96 -5.795 -1.590 3.286 1.00 0.22 C ATOM 1213 O CYS A 96 -6.721 -1.083 3.919 1.00 0.33 O ATOM 1214 CB CYS A 96 -3.843 -0.388 2.340 1.00 0.27 C ATOM 1215 SG CYS A 96 -2.658 -0.579 0.969 1.00 0.61 S ATOM 0 H CYS A 96 -5.949 1.040 1.975 1.00 0.24 H new ATOM 0 HA CYS A 96 -5.172 -1.676 1.250 1.00 0.21 H new ATOM 0 HB2 CYS A 96 -3.923 0.670 2.591 1.00 0.27 H new ATOM 0 HB3 CYS A 96 -3.448 -0.896 3.220 1.00 0.27 H new ATOM 1220 N THR A 97 -5.219 -2.733 3.628 1.00 0.20 N ATOM 1221 CA THR A 97 -5.623 -3.460 4.813 1.00 0.24 C ATOM 1222 C THR A 97 -4.775 -3.009 5.998 1.00 0.25 C ATOM 1223 O THR A 97 -5.193 -3.111 7.151 1.00 0.32 O ATOM 1224 CB THR A 97 -5.501 -4.991 4.608 1.00 0.29 C ATOM 1225 OG1 THR A 97 -6.188 -5.686 5.654 1.00 0.38 O ATOM 1226 CG2 THR A 97 -4.043 -5.439 4.568 1.00 0.28 C ATOM 0 H THR A 97 -4.468 -3.175 3.097 1.00 0.20 H new ATOM 0 HA THR A 97 -6.672 -3.242 5.013 1.00 0.24 H new ATOM 0 HB THR A 97 -5.957 -5.231 3.647 1.00 0.29 H new ATOM 0 HG1 THR A 97 -6.106 -6.652 5.514 1.00 0.38 H new ATOM 0 HG21 THR A 97 -3.998 -6.518 4.423 1.00 0.28 H new ATOM 0 HG22 THR A 97 -3.532 -4.940 3.745 1.00 0.28 H new ATOM 0 HG23 THR A 97 -3.556 -5.179 5.508 1.00 0.28 H new ATOM 1234 N ASN A 98 -3.588 -2.494 5.686 1.00 0.22 N ATOM 1235 CA ASN A 98 -2.667 -1.957 6.680 1.00 0.24 C ATOM 1236 C ASN A 98 -1.728 -0.967 6.008 1.00 0.21 C ATOM 1237 O ASN A 98 -1.651 -0.916 4.776 1.00 0.23 O ATOM 1238 CB ASN A 98 -1.832 -3.061 7.352 1.00 0.28 C ATOM 1239 CG ASN A 98 -2.593 -3.852 8.400 1.00 0.41 C ATOM 1240 OD1 ASN A 98 -3.172 -4.900 8.108 1.00 0.78 O ATOM 1241 ND2 ASN A 98 -2.597 -3.359 9.627 1.00 0.63 N ATOM 0 H ASN A 98 -3.238 -2.438 4.730 1.00 0.22 H new ATOM 0 HA ASN A 98 -3.261 -1.468 7.452 1.00 0.24 H new ATOM 0 HB2 ASN A 98 -1.469 -3.746 6.586 1.00 0.28 H new ATOM 0 HB3 ASN A 98 -0.956 -2.609 7.817 1.00 0.28 H new ATOM 0 HD21 ASN A 98 -3.092 -3.850 10.372 1.00 0.63 H new ATOM 0 HD22 ASN A 98 -2.105 -2.488 9.828 1.00 0.63 H new ATOM 1248 N THR A 99 -1.014 -0.196 6.806 1.00 0.23 N ATOM 1249 CA THR A 99 -0.045 0.751 6.285 1.00 0.23 C ATOM 1250 C THR A 99 1.215 0.745 7.139 1.00 0.22 C ATOM 1251 O THR A 99 1.155 0.568 8.359 1.00 0.26 O ATOM 1252 CB THR A 99 -0.626 2.182 6.218 1.00 0.31 C ATOM 1253 OG1 THR A 99 0.362 3.107 5.745 1.00 0.40 O ATOM 1254 CG2 THR A 99 -1.134 2.634 7.582 1.00 0.42 C ATOM 0 H THR A 99 -1.087 -0.207 7.823 1.00 0.23 H new ATOM 0 HA THR A 99 0.204 0.439 5.271 1.00 0.23 H new ATOM 0 HB THR A 99 -1.464 2.164 5.521 1.00 0.31 H new ATOM 0 HG1 THR A 99 0.686 2.819 4.866 1.00 0.40 H new ATOM 0 HG21 THR A 99 -1.537 3.644 7.504 1.00 0.42 H new ATOM 0 HG22 THR A 99 -1.917 1.956 7.921 1.00 0.42 H new ATOM 0 HG23 THR A 99 -0.312 2.626 8.298 1.00 0.42 H new ATOM 1262 N TYR A 100 2.357 0.896 6.490 1.00 0.24 N ATOM 1263 CA TYR A 100 3.627 0.976 7.189 1.00 0.29 C ATOM 1264 C TYR A 100 4.369 2.228 6.756 1.00 0.26 C ATOM 1265 O TYR A 100 4.204 2.695 5.626 1.00 0.25 O ATOM 1266 CB TYR A 100 4.493 -0.260 6.913 1.00 0.41 C ATOM 1267 CG TYR A 100 3.851 -1.569 7.317 1.00 0.32 C ATOM 1268 CD1 TYR A 100 3.029 -2.265 6.437 1.00 0.71 C ATOM 1269 CD2 TYR A 100 4.071 -2.112 8.576 1.00 0.58 C ATOM 1270 CE1 TYR A 100 2.445 -3.462 6.803 1.00 0.77 C ATOM 1271 CE2 TYR A 100 3.492 -3.309 8.947 1.00 0.61 C ATOM 1272 CZ TYR A 100 2.680 -3.980 8.058 1.00 0.47 C ATOM 1273 OH TYR A 100 2.102 -5.175 8.424 1.00 0.62 O ATOM 0 H TYR A 100 2.430 0.966 5.475 1.00 0.24 H new ATOM 0 HA TYR A 100 3.425 1.017 8.259 1.00 0.29 H new ATOM 0 HB2 TYR A 100 4.727 -0.296 5.849 1.00 0.41 H new ATOM 0 HB3 TYR A 100 5.439 -0.153 7.444 1.00 0.41 H new ATOM 0 HD1 TYR A 100 2.844 -1.863 5.452 1.00 0.71 H new ATOM 0 HD2 TYR A 100 4.705 -1.589 9.276 1.00 0.58 H new ATOM 0 HE1 TYR A 100 1.807 -3.989 6.109 1.00 0.77 H new ATOM 0 HE2 TYR A 100 3.674 -3.718 9.930 1.00 0.61 H new ATOM 0 HH TYR A 100 2.369 -5.401 9.339 1.00 0.62 H new ATOM 1283 N GLN A 101 5.166 2.782 7.665 1.00 0.28 N ATOM 1284 CA GLN A 101 5.992 3.942 7.358 1.00 0.28 C ATOM 1285 C GLN A 101 5.138 5.162 7.037 1.00 0.30 C ATOM 1286 O GLN A 101 5.575 6.062 6.321 1.00 0.34 O ATOM 1287 CB GLN A 101 6.915 3.624 6.186 1.00 0.25 C ATOM 1288 CG GLN A 101 8.111 2.778 6.567 1.00 0.27 C ATOM 1289 CD GLN A 101 9.160 3.569 7.318 1.00 0.31 C ATOM 1290 OE1 GLN A 101 9.888 3.028 8.145 1.00 0.80 O ATOM 1291 NE2 GLN A 101 9.233 4.862 7.039 1.00 0.67 N ATOM 0 H GLN A 101 5.256 2.444 8.623 1.00 0.28 H new ATOM 0 HA GLN A 101 6.591 4.176 8.238 1.00 0.28 H new ATOM 0 HB2 GLN A 101 6.344 3.105 5.416 1.00 0.25 H new ATOM 0 HB3 GLN A 101 7.266 4.558 5.748 1.00 0.25 H new ATOM 0 HG2 GLN A 101 7.780 1.942 7.183 1.00 0.27 H new ATOM 0 HG3 GLN A 101 8.555 2.354 5.666 1.00 0.27 H new ATOM 0 HE21 GLN A 101 8.608 5.270 6.344 1.00 0.67 H new ATOM 0 HE22 GLN A 101 9.914 5.450 7.519 1.00 0.67 H new ATOM 1300 N HIS A 102 3.911 5.159 7.557 1.00 0.35 N ATOM 1301 CA HIS A 102 2.963 6.263 7.376 1.00 0.40 C ATOM 1302 C HIS A 102 2.555 6.445 5.915 1.00 0.34 C ATOM 1303 O HIS A 102 1.859 7.403 5.578 1.00 0.38 O ATOM 1304 CB HIS A 102 3.527 7.577 7.927 1.00 0.49 C ATOM 1305 CG HIS A 102 3.587 7.639 9.423 1.00 1.01 C ATOM 1306 ND1 HIS A 102 2.872 8.554 10.166 1.00 1.49 N ATOM 1307 CD2 HIS A 102 4.300 6.909 10.314 1.00 1.41 C ATOM 1308 CE1 HIS A 102 3.145 8.385 11.446 1.00 2.12 C ATOM 1309 NE2 HIS A 102 4.007 7.394 11.562 1.00 2.09 N ATOM 0 H HIS A 102 3.544 4.390 8.117 1.00 0.35 H new ATOM 0 HA HIS A 102 2.070 5.996 7.941 1.00 0.40 H new ATOM 0 HB2 HIS A 102 4.530 7.725 7.528 1.00 0.49 H new ATOM 0 HB3 HIS A 102 2.915 8.403 7.564 1.00 0.49 H new ATOM 0 HD2 HIS A 102 4.973 6.097 10.084 1.00 1.41 H new ATOM 0 HE1 HIS A 102 2.732 8.961 12.261 1.00 2.12 H new ATOM 0 HE2 HIS A 102 4.393 7.045 12.439 1.00 2.09 H new ATOM 1318 N GLY A 103 2.989 5.542 5.047 1.00 0.28 N ATOM 1319 CA GLY A 103 2.572 5.612 3.666 1.00 0.25 C ATOM 1320 C GLY A 103 3.614 5.107 2.694 1.00 0.22 C ATOM 1321 O GLY A 103 3.277 4.778 1.561 1.00 0.22 O ATOM 0 H GLY A 103 3.616 4.770 5.273 1.00 0.28 H new ATOM 0 HA2 GLY A 103 1.658 5.031 3.541 1.00 0.25 H new ATOM 0 HA3 GLY A 103 2.328 6.646 3.420 1.00 0.25 H new ATOM 1325 N LEU A 104 4.882 5.055 3.116 1.00 0.22 N ATOM 1326 CA LEU A 104 5.962 4.621 2.225 1.00 0.22 C ATOM 1327 C LEU A 104 5.691 3.233 1.657 1.00 0.19 C ATOM 1328 O LEU A 104 6.023 2.955 0.510 1.00 0.21 O ATOM 1329 CB LEU A 104 7.312 4.613 2.939 1.00 0.26 C ATOM 1330 CG LEU A 104 7.711 5.919 3.622 1.00 0.31 C ATOM 1331 CD1 LEU A 104 9.176 5.883 3.998 1.00 0.36 C ATOM 1332 CD2 LEU A 104 7.425 7.112 2.738 1.00 0.34 C ATOM 0 H LEU A 104 5.183 5.305 4.058 1.00 0.22 H new ATOM 0 HA LEU A 104 5.998 5.342 1.408 1.00 0.22 H new ATOM 0 HB2 LEU A 104 7.300 3.822 3.689 1.00 0.26 H new ATOM 0 HB3 LEU A 104 8.084 4.354 2.214 1.00 0.26 H new ATOM 0 HG LEU A 104 7.113 6.023 4.527 1.00 0.31 H new ATOM 0 HD11 LEU A 104 9.450 6.819 4.484 1.00 0.36 H new ATOM 0 HD12 LEU A 104 9.356 5.053 4.681 1.00 0.36 H new ATOM 0 HD13 LEU A 104 9.779 5.751 3.100 1.00 0.36 H new ATOM 0 HD21 LEU A 104 7.720 8.026 3.253 1.00 0.34 H new ATOM 0 HD22 LEU A 104 7.989 7.020 1.810 1.00 0.34 H new ATOM 0 HD23 LEU A 104 6.359 7.151 2.513 1.00 0.34 H new ATOM 1344 N VAL A 105 5.116 2.365 2.475 1.00 0.19 N ATOM 1345 CA VAL A 105 4.714 1.036 2.031 1.00 0.19 C ATOM 1346 C VAL A 105 3.410 0.617 2.685 1.00 0.20 C ATOM 1347 O VAL A 105 3.307 0.510 3.906 1.00 0.41 O ATOM 1348 CB VAL A 105 5.790 -0.017 2.339 1.00 0.26 C ATOM 1349 CG1 VAL A 105 6.788 -0.109 1.202 1.00 0.86 C ATOM 1350 CG2 VAL A 105 6.504 0.325 3.628 1.00 0.69 C ATOM 0 H VAL A 105 4.916 2.557 3.456 1.00 0.19 H new ATOM 0 HA VAL A 105 4.579 1.093 0.951 1.00 0.19 H new ATOM 0 HB VAL A 105 5.301 -0.985 2.451 1.00 0.26 H new ATOM 0 HG11 VAL A 105 7.542 -0.860 1.439 1.00 0.86 H new ATOM 0 HG12 VAL A 105 6.270 -0.392 0.285 1.00 0.86 H new ATOM 0 HG13 VAL A 105 7.271 0.858 1.063 1.00 0.86 H new ATOM 0 HG21 VAL A 105 7.264 -0.429 3.834 1.00 0.69 H new ATOM 0 HG22 VAL A 105 6.979 1.302 3.533 1.00 0.69 H new ATOM 0 HG23 VAL A 105 5.785 0.349 4.447 1.00 0.69 H new ATOM 1360 N ASN A 106 2.417 0.387 1.857 1.00 0.22 N ATOM 1361 CA ASN A 106 1.110 -0.050 2.317 1.00 0.24 C ATOM 1362 C ASN A 106 0.828 -1.445 1.792 1.00 0.23 C ATOM 1363 O ASN A 106 1.479 -1.892 0.858 1.00 0.29 O ATOM 1364 CB ASN A 106 0.029 0.920 1.848 1.00 0.37 C ATOM 1365 CG ASN A 106 0.051 2.239 2.596 1.00 0.51 C ATOM 1366 OD1 ASN A 106 1.073 2.658 3.133 1.00 0.91 O ATOM 1367 ND2 ASN A 106 -1.084 2.912 2.631 1.00 0.88 N ATOM 0 H ASN A 106 2.488 0.496 0.845 1.00 0.22 H new ATOM 0 HA ASN A 106 1.104 -0.069 3.407 1.00 0.24 H new ATOM 0 HB2 ASN A 106 0.157 1.111 0.783 1.00 0.37 H new ATOM 0 HB3 ASN A 106 -0.948 0.454 1.973 1.00 0.37 H new ATOM 0 HD21 ASN A 106 -1.130 3.809 3.115 1.00 0.88 H new ATOM 0 HD22 ASN A 106 -1.915 2.535 2.174 1.00 0.88 H new ATOM 1374 N VAL A 107 -0.132 -2.131 2.392 1.00 0.20 N ATOM 1375 CA VAL A 107 -0.419 -3.514 2.020 1.00 0.21 C ATOM 1376 C VAL A 107 -1.903 -3.772 1.840 1.00 0.20 C ATOM 1377 O VAL A 107 -2.736 -3.247 2.583 1.00 0.21 O ATOM 1378 CB VAL A 107 0.121 -4.519 3.055 1.00 0.26 C ATOM 1379 CG1 VAL A 107 1.636 -4.601 2.993 1.00 0.30 C ATOM 1380 CG2 VAL A 107 -0.331 -4.149 4.459 1.00 0.27 C ATOM 0 H VAL A 107 -0.724 -1.759 3.134 1.00 0.20 H new ATOM 0 HA VAL A 107 0.090 -3.661 1.067 1.00 0.21 H new ATOM 0 HB VAL A 107 -0.287 -5.500 2.810 1.00 0.26 H new ATOM 0 HG11 VAL A 107 1.992 -5.317 3.733 1.00 0.30 H new ATOM 0 HG12 VAL A 107 1.942 -4.925 1.998 1.00 0.30 H new ATOM 0 HG13 VAL A 107 2.062 -3.620 3.203 1.00 0.30 H new ATOM 0 HG21 VAL A 107 0.063 -4.874 5.171 1.00 0.27 H new ATOM 0 HG22 VAL A 107 0.039 -3.155 4.710 1.00 0.27 H new ATOM 0 HG23 VAL A 107 -1.420 -4.152 4.503 1.00 0.27 H new ATOM 1390 N GLY A 108 -2.214 -4.597 0.851 1.00 0.20 N ATOM 1391 CA GLY A 108 -3.580 -4.988 0.596 1.00 0.20 C ATOM 1392 C GLY A 108 -4.426 -3.833 0.127 1.00 0.15 C ATOM 1393 O GLY A 108 -5.482 -3.566 0.693 1.00 0.16 O ATOM 0 H GLY A 108 -1.531 -5.006 0.213 1.00 0.20 H new ATOM 0 HA2 GLY A 108 -3.596 -5.776 -0.157 1.00 0.20 H new ATOM 0 HA3 GLY A 108 -4.012 -5.406 1.505 1.00 0.20 H new ATOM 1397 N CYS A 109 -3.971 -3.149 -0.908 1.00 0.13 N ATOM 1398 CA CYS A 109 -4.703 -2.005 -1.428 1.00 0.13 C ATOM 1399 C CYS A 109 -5.571 -2.389 -2.607 1.00 0.13 C ATOM 1400 O CYS A 109 -5.121 -3.039 -3.549 1.00 0.13 O ATOM 1401 CB CYS A 109 -3.765 -0.875 -1.850 1.00 0.16 C ATOM 1402 SG CYS A 109 -3.510 0.407 -0.576 1.00 0.43 S ATOM 0 H CYS A 109 -3.105 -3.363 -1.403 1.00 0.13 H new ATOM 0 HA CYS A 109 -5.337 -1.654 -0.614 1.00 0.13 H new ATOM 0 HB2 CYS A 109 -2.798 -1.302 -2.117 1.00 0.16 H new ATOM 0 HB3 CYS A 109 -4.164 -0.404 -2.748 1.00 0.16 H new ATOM 1407 N THR A 110 -6.823 -1.989 -2.524 1.00 0.16 N ATOM 1408 CA THR A 110 -7.767 -2.155 -3.606 1.00 0.19 C ATOM 1409 C THR A 110 -8.260 -0.789 -4.074 1.00 0.20 C ATOM 1410 O THR A 110 -8.699 0.026 -3.262 1.00 0.21 O ATOM 1411 CB THR A 110 -8.965 -3.018 -3.166 1.00 0.24 C ATOM 1412 OG1 THR A 110 -9.460 -2.557 -1.900 1.00 0.25 O ATOM 1413 CG2 THR A 110 -8.570 -4.483 -3.059 1.00 0.30 C ATOM 0 H THR A 110 -7.215 -1.537 -1.698 1.00 0.16 H new ATOM 0 HA THR A 110 -7.262 -2.663 -4.427 1.00 0.19 H new ATOM 0 HB THR A 110 -9.747 -2.926 -3.919 1.00 0.24 H new ATOM 0 HG1 THR A 110 -9.328 -1.588 -1.830 1.00 0.25 H new ATOM 0 HG21 THR A 110 -9.433 -5.071 -2.747 1.00 0.30 H new ATOM 0 HG22 THR A 110 -8.221 -4.838 -4.029 1.00 0.30 H new ATOM 0 HG23 THR A 110 -7.772 -4.592 -2.324 1.00 0.30 H new ATOM 1421 N PRO A 111 -8.121 -0.500 -5.377 1.00 0.23 N ATOM 1422 CA PRO A 111 -8.593 0.754 -5.983 1.00 0.25 C ATOM 1423 C PRO A 111 -10.024 1.107 -5.586 1.00 0.28 C ATOM 1424 O PRO A 111 -10.976 0.415 -5.955 1.00 0.34 O ATOM 1425 CB PRO A 111 -8.499 0.467 -7.479 1.00 0.28 C ATOM 1426 CG PRO A 111 -7.373 -0.503 -7.591 1.00 0.30 C ATOM 1427 CD PRO A 111 -7.455 -1.369 -6.365 1.00 0.32 C ATOM 0 HA PRO A 111 -8.005 1.612 -5.657 1.00 0.25 H new ATOM 0 HB2 PRO A 111 -9.428 0.046 -7.864 1.00 0.28 H new ATOM 0 HB3 PRO A 111 -8.301 1.375 -8.048 1.00 0.28 H new ATOM 0 HG2 PRO A 111 -7.460 -1.101 -8.498 1.00 0.30 H new ATOM 0 HG3 PRO A 111 -6.415 0.014 -7.641 1.00 0.30 H new ATOM 0 HD2 PRO A 111 -8.028 -2.277 -6.552 1.00 0.32 H new ATOM 0 HD3 PRO A 111 -6.467 -1.680 -6.026 1.00 0.32 H new ATOM 1435 N ILE A 112 -10.156 2.179 -4.819 1.00 0.29 N ATOM 1436 CA ILE A 112 -11.458 2.650 -4.370 1.00 0.36 C ATOM 1437 C ILE A 112 -11.757 4.025 -4.950 1.00 0.52 C ATOM 1438 O ILE A 112 -10.896 4.907 -4.959 1.00 0.57 O ATOM 1439 CB ILE A 112 -11.550 2.731 -2.824 1.00 0.35 C ATOM 1440 CG1 ILE A 112 -12.892 3.345 -2.398 1.00 0.49 C ATOM 1441 CG2 ILE A 112 -10.392 3.541 -2.261 1.00 0.37 C ATOM 1442 CD1 ILE A 112 -13.053 3.540 -0.903 1.00 0.59 C ATOM 0 H ILE A 112 -9.371 2.743 -4.493 1.00 0.29 H new ATOM 0 HA ILE A 112 -12.191 1.925 -4.723 1.00 0.36 H new ATOM 0 HB ILE A 112 -11.489 1.720 -2.422 1.00 0.35 H new ATOM 0 HG12 ILE A 112 -13.007 4.310 -2.891 1.00 0.49 H new ATOM 0 HG13 ILE A 112 -13.699 2.706 -2.756 1.00 0.49 H new ATOM 0 HG21 ILE A 112 -10.474 3.587 -1.175 1.00 0.37 H new ATOM 0 HG22 ILE A 112 -9.449 3.067 -2.534 1.00 0.37 H new ATOM 0 HG23 ILE A 112 -10.422 4.551 -2.670 1.00 0.37 H new ATOM 0 HD11 ILE A 112 -14.029 3.978 -0.696 1.00 0.59 H new ATOM 0 HD12 ILE A 112 -12.974 2.576 -0.400 1.00 0.59 H new ATOM 0 HD13 ILE A 112 -12.272 4.206 -0.537 1.00 0.59 H new ATOM 1454 N ASN A 113 -12.963 4.203 -5.449 1.00 0.73 N ATOM 1455 CA ASN A 113 -13.411 5.519 -5.859 1.00 0.97 C ATOM 1456 C ASN A 113 -14.232 6.135 -4.744 1.00 1.12 C ATOM 1457 O ASN A 113 -15.410 5.821 -4.576 1.00 1.25 O ATOM 1458 CB ASN A 113 -14.228 5.461 -7.152 1.00 1.20 C ATOM 1459 CG ASN A 113 -13.397 5.058 -8.353 1.00 1.72 C ATOM 1460 OD1 ASN A 113 -13.330 3.883 -8.712 1.00 2.38 O ATOM 1461 ND2 ASN A 113 -12.745 6.029 -8.971 1.00 2.39 N ATOM 0 H ASN A 113 -13.647 3.458 -5.580 1.00 0.73 H new ATOM 0 HA ASN A 113 -12.535 6.136 -6.058 1.00 0.97 H new ATOM 0 HB2 ASN A 113 -15.047 4.752 -7.028 1.00 1.20 H new ATOM 0 HB3 ASN A 113 -14.677 6.437 -7.337 1.00 1.20 H new ATOM 0 HD21 ASN A 113 -12.159 5.816 -9.778 1.00 2.39 H new ATOM 0 HD22 ASN A 113 -12.828 6.990 -8.640 1.00 2.39 H new ATOM 1468 N ILE A 114 -13.597 7.008 -3.973 1.00 1.20 N ATOM 1469 CA ILE A 114 -14.245 7.657 -2.834 1.00 1.45 C ATOM 1470 C ILE A 114 -15.256 8.695 -3.303 1.00 1.73 C ATOM 1471 O ILE A 114 -15.964 9.306 -2.507 1.00 2.02 O ATOM 1472 CB ILE A 114 -13.199 8.309 -1.893 1.00 1.58 C ATOM 1473 CG1 ILE A 114 -12.395 9.395 -2.616 1.00 1.55 C ATOM 1474 CG2 ILE A 114 -12.264 7.250 -1.326 1.00 1.66 C ATOM 1475 CD1 ILE A 114 -13.048 10.758 -2.579 1.00 1.76 C ATOM 0 H ILE A 114 -12.626 7.287 -4.115 1.00 1.20 H new ATOM 0 HA ILE A 114 -14.775 6.888 -2.273 1.00 1.45 H new ATOM 0 HB ILE A 114 -13.738 8.782 -1.073 1.00 1.58 H new ATOM 0 HG12 ILE A 114 -11.405 9.463 -2.165 1.00 1.55 H new ATOM 0 HG13 ILE A 114 -12.252 9.098 -3.655 1.00 1.55 H new ATOM 0 HG21 ILE A 114 -11.535 7.723 -0.667 1.00 1.66 H new ATOM 0 HG22 ILE A 114 -12.842 6.519 -0.762 1.00 1.66 H new ATOM 0 HG23 ILE A 114 -11.744 6.749 -2.142 1.00 1.66 H new ATOM 0 HD11 ILE A 114 -12.423 11.476 -3.110 1.00 1.76 H new ATOM 0 HD12 ILE A 114 -14.026 10.706 -3.057 1.00 1.76 H new ATOM 0 HD13 ILE A 114 -13.166 11.077 -1.543 1.00 1.76 H new ATOM 1487 N GLY A 115 -15.315 8.860 -4.609 1.00 1.73 N ATOM 1488 CA GLY A 115 -16.116 9.892 -5.215 1.00 2.10 C ATOM 1489 C GLY A 115 -15.390 10.437 -6.414 1.00 2.28 C ATOM 1490 O GLY A 115 -15.992 10.939 -7.361 1.00 2.61 O ATOM 0 H GLY A 115 -14.807 8.280 -5.276 1.00 1.73 H new ATOM 0 HA2 GLY A 115 -17.085 9.490 -5.512 1.00 2.10 H new ATOM 0 HA3 GLY A 115 -16.308 10.689 -4.497 1.00 2.10 H new ATOM 1494 N LEU A 116 -14.073 10.310 -6.370 1.00 2.27 N ATOM 1495 CA LEU A 116 -13.226 10.707 -7.476 1.00 2.75 C ATOM 1496 C LEU A 116 -12.630 9.470 -8.132 1.00 2.85 C ATOM 1497 O LEU A 116 -12.434 9.481 -9.364 1.00 3.10 O ATOM 1498 CB LEU A 116 -12.130 11.681 -7.000 1.00 3.18 C ATOM 1499 CG LEU A 116 -11.182 11.158 -5.914 1.00 3.15 C ATOM 1500 CD1 LEU A 116 -9.992 10.435 -6.529 1.00 3.66 C ATOM 1501 CD2 LEU A 116 -10.706 12.300 -5.032 1.00 3.69 C ATOM 1502 OXT LEU A 116 -12.401 8.472 -7.417 1.00 3.15 O ATOM 0 H LEU A 116 -13.567 9.931 -5.570 1.00 2.27 H new ATOM 0 HA LEU A 116 -13.826 11.234 -8.218 1.00 2.75 H new ATOM 0 HB2 LEU A 116 -11.533 11.973 -7.864 1.00 3.18 H new ATOM 0 HB3 LEU A 116 -12.613 12.584 -6.627 1.00 3.18 H new ATOM 0 HG LEU A 116 -11.732 10.445 -5.300 1.00 3.15 H new ATOM 0 HD11 LEU A 116 -9.336 10.075 -5.737 1.00 3.66 H new ATOM 0 HD12 LEU A 116 -10.345 9.590 -7.120 1.00 3.66 H new ATOM 0 HD13 LEU A 116 -9.441 11.122 -7.171 1.00 3.66 H new ATOM 0 HD21 LEU A 116 -10.034 11.913 -4.266 1.00 3.69 H new ATOM 0 HD22 LEU A 116 -10.178 13.034 -5.641 1.00 3.69 H new ATOM 0 HD23 LEU A 116 -11.564 12.774 -4.556 1.00 3.69 H new TER 1514 LEU A 116