USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 739 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 31 GLN : amide:sc= -0.12 X(o=-0.12,f=0.34) USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 85 HIS : no HE2:sc= 0.564 K(o=1.1,f=-3.5!) USER MOD Set 2.2: A 87 THR OG1 : rot 121:sc= 0.51 USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 17 LYS NZ :NH3+ -174:sc= -0.131 (180deg=-0.232) USER MOD Set 4.2: A 20 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 6 SER OG : rot 37:sc= 0.0507 USER MOD Set 5.2: A 93 LYS NZ :NH3+ -127:sc= -0.0821 (180deg=-0.714) USER MOD Single : A 8 THR OG1 : rot 120:sc= 0.119 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -170:sc= 1.15 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0.549 (180deg=0.549) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.0222 F(o=-2.1!,f=-0.022) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0564 USER MOD Single : A 36 SER OG : rot 180:sc= 0.599 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.0165 USER MOD Single : A 43 TYR OH : rot 150:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 26:sc= 1.28 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 60 HIS : no HD1:sc= -5.17! C(o=-5.2!,f=-7.9!) USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= 1.23 (180deg=1.14) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.14) USER MOD Single : A 63 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.65) USER MOD Single : A 65 ASN : amide:sc= 0.215 K(o=0.21,f=-3!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc=-0.00692 X(o=-0.0069,f=-0.35) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -19:sc= 0.00455 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.79 K(o=0.79,f=-0.025) USER MOD Single : A 102 GLN : amide:sc= 1.07 K(o=1.1,f=-0.014) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 109 TYR OH : rot -179:sc= 1.02 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 6 -8.684 -14.022 -11.426 1.00 22.41 N ATOM 64 CA SER A 6 -7.477 -13.635 -10.716 1.00 51.43 C ATOM 65 C SER A 6 -6.598 -14.872 -10.580 1.00 11.35 C ATOM 66 O SER A 6 -6.722 -15.647 -9.638 1.00 3.14 O ATOM 67 CB SER A 6 -7.822 -13.015 -9.364 1.00 41.14 C ATOM 68 OG SER A 6 -8.668 -11.884 -9.516 1.00 13.34 O ATOM 0 HA SER A 6 -6.931 -12.870 -11.269 1.00 51.43 H new ATOM 0 HB2 SER A 6 -8.314 -13.758 -8.736 1.00 41.14 H new ATOM 0 HB3 SER A 6 -6.906 -12.720 -8.852 1.00 41.14 H new ATOM 0 HG SER A 6 -9.301 -12.045 -10.247 1.00 13.34 H new ATOM 73 N ASP A 7 -5.707 -15.041 -11.549 1.00 53.44 N ATOM 74 CA ASP A 7 -4.774 -16.171 -11.646 1.00 15.25 C ATOM 75 C ASP A 7 -3.509 -15.924 -10.820 1.00 13.33 C ATOM 76 O ASP A 7 -2.559 -16.704 -10.833 1.00 41.32 O ATOM 77 CB ASP A 7 -4.353 -16.352 -13.117 1.00 42.32 C ATOM 78 CG ASP A 7 -5.411 -16.972 -14.021 1.00 21.15 C ATOM 79 OD1 ASP A 7 -6.451 -17.464 -13.535 1.00 75.52 O ATOM 80 OD2 ASP A 7 -5.189 -16.942 -15.254 1.00 74.43 O ATOM 0 H ASP A 7 -5.606 -14.377 -12.317 1.00 53.44 H new ATOM 0 HA ASP A 7 -5.280 -17.058 -11.265 1.00 15.25 H new ATOM 0 HB2 ASP A 7 -4.077 -15.378 -13.522 1.00 42.32 H new ATOM 0 HB3 ASP A 7 -3.460 -16.976 -13.149 1.00 42.32 H new ATOM 84 N THR A 8 -3.497 -14.818 -10.099 1.00 12.32 N ATOM 85 CA THR A 8 -2.389 -14.299 -9.321 1.00 42.30 C ATOM 86 C THR A 8 -2.272 -15.122 -8.024 1.00 43.22 C ATOM 87 O THR A 8 -3.297 -15.595 -7.513 1.00 60.22 O ATOM 88 CB THR A 8 -2.603 -12.785 -9.055 1.00 41.23 C ATOM 89 OG1 THR A 8 -3.899 -12.350 -9.458 1.00 53.31 O ATOM 90 CG2 THR A 8 -1.606 -11.901 -9.810 1.00 51.00 C ATOM 0 H THR A 8 -4.319 -14.217 -10.038 1.00 12.32 H new ATOM 0 HA THR A 8 -1.449 -14.394 -9.864 1.00 42.30 H new ATOM 0 HB THR A 8 -2.466 -12.679 -7.979 1.00 41.23 H new ATOM 0 HG1 THR A 8 -4.379 -11.991 -8.683 1.00 53.31 H new ATOM 0 HG21 THR A 8 -1.805 -10.853 -9.584 1.00 51.00 H new ATOM 0 HG22 THR A 8 -0.591 -12.152 -9.502 1.00 51.00 H new ATOM 0 HG23 THR A 8 -1.711 -12.068 -10.882 1.00 51.00 H new ATOM 98 N PRO A 9 -1.055 -15.255 -7.468 1.00 22.52 N ATOM 99 CA PRO A 9 -0.766 -16.089 -6.306 1.00 40.05 C ATOM 100 C PRO A 9 -1.457 -15.560 -5.042 1.00 13.23 C ATOM 101 O PRO A 9 -2.067 -14.487 -5.036 1.00 52.11 O ATOM 102 CB PRO A 9 0.767 -16.122 -6.213 1.00 41.31 C ATOM 103 CG PRO A 9 1.218 -14.830 -6.890 1.00 40.23 C ATOM 104 CD PRO A 9 0.145 -14.586 -7.935 1.00 0.40 C ATOM 0 HA PRO A 9 -1.161 -17.100 -6.405 1.00 40.05 H new ATOM 0 HB2 PRO A 9 1.101 -16.165 -5.176 1.00 41.31 H new ATOM 0 HB3 PRO A 9 1.177 -16.998 -6.716 1.00 41.31 H new ATOM 0 HG2 PRO A 9 1.282 -14.006 -6.180 1.00 40.23 H new ATOM 0 HG3 PRO A 9 2.203 -14.937 -7.344 1.00 40.23 H new ATOM 0 HD2 PRO A 9 -0.033 -13.518 -8.064 1.00 0.40 H new ATOM 0 HD3 PRO A 9 0.453 -14.977 -8.904 1.00 0.40 H new ATOM 109 N LYS A 10 -1.356 -16.316 -3.947 1.00 14.10 N ATOM 110 CA LYS A 10 -2.011 -16.037 -2.673 1.00 71.41 C ATOM 111 C LYS A 10 -0.936 -15.734 -1.648 1.00 60.11 C ATOM 112 O LYS A 10 -0.025 -16.544 -1.455 1.00 71.14 O ATOM 113 CB LYS A 10 -2.917 -17.221 -2.288 1.00 4.40 C ATOM 114 CG LYS A 10 -4.265 -17.113 -3.042 1.00 53.33 C ATOM 115 CD LYS A 10 -4.680 -18.349 -3.848 1.00 40.24 C ATOM 116 CE LYS A 10 -5.603 -19.288 -3.064 1.00 23.41 C ATOM 117 NZ LYS A 10 -5.815 -20.560 -3.787 1.00 73.32 N ATOM 0 H LYS A 10 -0.796 -17.168 -3.925 1.00 14.10 H new ATOM 0 HA LYS A 10 -2.664 -15.166 -2.734 1.00 71.41 H new ATOM 0 HB2 LYS A 10 -2.426 -18.162 -2.534 1.00 4.40 H new ATOM 0 HB3 LYS A 10 -3.090 -17.224 -1.212 1.00 4.40 H new ATOM 0 HG2 LYS A 10 -5.049 -16.896 -2.317 1.00 53.33 H new ATOM 0 HG3 LYS A 10 -4.213 -16.261 -3.720 1.00 53.33 H new ATOM 0 HD2 LYS A 10 -5.184 -18.030 -4.760 1.00 40.24 H new ATOM 0 HD3 LYS A 10 -3.787 -18.895 -4.152 1.00 40.24 H new ATOM 0 HE2 LYS A 10 -5.171 -19.492 -2.084 1.00 23.41 H new ATOM 0 HE3 LYS A 10 -6.563 -18.800 -2.894 1.00 23.41 H new ATOM 0 HZ1 LYS A 10 -6.444 -21.174 -3.231 1.00 73.32 H new ATOM 0 HZ2 LYS A 10 -6.249 -20.365 -4.712 1.00 73.32 H new ATOM 0 HZ3 LYS A 10 -4.901 -21.036 -3.927 1.00 73.32 H new ATOM 127 N VAL A 11 -0.972 -14.522 -1.092 1.00 35.34 N ATOM 128 CA VAL A 11 -0.010 -14.092 -0.089 1.00 43.43 C ATOM 129 C VAL A 11 -0.164 -15.048 1.092 1.00 22.12 C ATOM 130 O VAL A 11 -1.289 -15.391 1.463 1.00 31.40 O ATOM 131 CB VAL A 11 -0.260 -12.622 0.307 1.00 63.43 C ATOM 132 CG1 VAL A 11 0.738 -12.129 1.362 1.00 32.21 C ATOM 133 CG2 VAL A 11 -0.159 -11.665 -0.893 1.00 62.42 C ATOM 0 H VAL A 11 -1.669 -13.816 -1.327 1.00 35.34 H new ATOM 0 HA VAL A 11 1.012 -14.127 -0.466 1.00 43.43 H new ATOM 0 HB VAL A 11 -1.273 -12.611 0.709 1.00 63.43 H new ATOM 0 HG11 VAL A 11 0.522 -11.089 1.609 1.00 32.21 H new ATOM 0 HG12 VAL A 11 0.650 -12.741 2.260 1.00 32.21 H new ATOM 0 HG13 VAL A 11 1.751 -12.206 0.968 1.00 32.21 H new ATOM 0 HG21 VAL A 11 -0.343 -10.644 -0.560 1.00 62.42 H new ATOM 0 HG22 VAL A 11 0.838 -11.731 -1.328 1.00 62.42 H new ATOM 0 HG23 VAL A 11 -0.901 -11.942 -1.642 1.00 62.42 H new ATOM 143 N THR A 12 0.955 -15.483 1.663 1.00 60.14 N ATOM 144 CA THR A 12 1.009 -16.612 2.586 1.00 54.43 C ATOM 145 C THR A 12 1.952 -16.307 3.778 1.00 64.23 C ATOM 146 O THR A 12 2.273 -17.201 4.559 1.00 40.25 O ATOM 147 CB THR A 12 1.372 -17.836 1.710 1.00 42.01 C ATOM 148 OG1 THR A 12 0.935 -19.070 2.251 1.00 72.23 O ATOM 149 CG2 THR A 12 2.863 -17.862 1.368 1.00 0.44 C ATOM 0 H THR A 12 1.865 -15.054 1.495 1.00 60.14 H new ATOM 0 HA THR A 12 0.065 -16.823 3.089 1.00 54.43 H new ATOM 0 HB THR A 12 0.818 -17.711 0.780 1.00 42.01 H new ATOM 0 HG1 THR A 12 1.327 -19.808 1.740 1.00 72.23 H new ATOM 0 HG21 THR A 12 3.080 -18.735 0.752 1.00 0.44 H new ATOM 0 HG22 THR A 12 3.126 -16.957 0.820 1.00 0.44 H new ATOM 0 HG23 THR A 12 3.446 -17.912 2.287 1.00 0.44 H new ATOM 157 N GLY A 13 2.437 -15.062 3.922 1.00 75.14 N ATOM 158 CA GLY A 13 3.478 -14.676 4.879 1.00 35.30 C ATOM 159 C GLY A 13 3.077 -13.491 5.745 1.00 3.41 C ATOM 160 O GLY A 13 2.597 -13.657 6.869 1.00 41.22 O ATOM 0 H GLY A 13 2.105 -14.279 3.360 1.00 75.14 H new ATOM 0 HA2 GLY A 13 3.708 -15.527 5.520 1.00 35.30 H new ATOM 0 HA3 GLY A 13 4.391 -14.430 4.336 1.00 35.30 H new ATOM 164 N LEU A 14 3.308 -12.306 5.180 1.00 73.15 N ATOM 165 CA LEU A 14 3.098 -10.953 5.690 1.00 52.23 C ATOM 166 C LEU A 14 3.922 -10.668 6.945 1.00 3.24 C ATOM 167 O LEU A 14 3.542 -11.134 8.023 1.00 52.44 O ATOM 168 CB LEU A 14 1.607 -10.675 5.926 1.00 62.15 C ATOM 169 CG LEU A 14 0.765 -10.630 4.636 1.00 22.44 C ATOM 170 CD1 LEU A 14 -0.456 -11.551 4.745 1.00 35.11 C ATOM 171 CD2 LEU A 14 0.300 -9.206 4.316 1.00 63.35 C ATOM 0 H LEU A 14 3.695 -12.269 4.237 1.00 73.15 H new ATOM 0 HA LEU A 14 3.452 -10.267 4.921 1.00 52.23 H new ATOM 0 HB2 LEU A 14 1.204 -11.445 6.584 1.00 62.15 H new ATOM 0 HB3 LEU A 14 1.504 -9.724 6.448 1.00 62.15 H new ATOM 0 HG LEU A 14 1.406 -10.977 3.826 1.00 22.44 H new ATOM 0 HD11 LEU A 14 -1.033 -11.501 3.822 1.00 35.11 H new ATOM 0 HD12 LEU A 14 -0.125 -12.576 4.911 1.00 35.11 H new ATOM 0 HD13 LEU A 14 -1.079 -11.232 5.580 1.00 35.11 H new ATOM 0 HD21 LEU A 14 -0.291 -9.213 3.400 1.00 63.35 H new ATOM 0 HD22 LEU A 14 -0.309 -8.829 5.138 1.00 63.35 H new ATOM 0 HD23 LEU A 14 1.168 -8.561 4.182 1.00 63.35 H new ATOM 182 N LYS A 15 5.019 -9.904 6.846 1.00 72.51 N ATOM 183 CA LYS A 15 5.846 -9.517 7.995 1.00 2.22 C ATOM 184 C LYS A 15 5.976 -8.005 8.028 1.00 34.12 C ATOM 185 O LYS A 15 6.256 -7.373 7.010 1.00 12.30 O ATOM 186 CB LYS A 15 7.237 -10.179 7.942 1.00 33.41 C ATOM 187 CG LYS A 15 7.376 -11.382 8.889 1.00 72.35 C ATOM 188 CD LYS A 15 6.462 -12.560 8.533 1.00 31.43 C ATOM 189 CE LYS A 15 5.435 -12.843 9.637 1.00 20.14 C ATOM 190 NZ LYS A 15 4.398 -13.793 9.184 1.00 24.23 N ATOM 0 H LYS A 15 5.359 -9.535 5.958 1.00 72.51 H new ATOM 0 HA LYS A 15 5.360 -9.864 8.907 1.00 2.22 H new ATOM 0 HB2 LYS A 15 7.438 -10.504 6.921 1.00 33.41 H new ATOM 0 HB3 LYS A 15 7.994 -9.437 8.195 1.00 33.41 H new ATOM 0 HG2 LYS A 15 8.412 -11.722 8.879 1.00 72.35 H new ATOM 0 HG3 LYS A 15 7.156 -11.059 9.906 1.00 72.35 H new ATOM 0 HD2 LYS A 15 5.941 -12.346 7.600 1.00 31.43 H new ATOM 0 HD3 LYS A 15 7.067 -13.451 8.364 1.00 31.43 H new ATOM 0 HE2 LYS A 15 5.943 -13.248 10.512 1.00 20.14 H new ATOM 0 HE3 LYS A 15 4.964 -11.909 9.945 1.00 20.14 H new ATOM 0 HZ1 LYS A 15 3.721 -13.961 9.955 1.00 24.23 H new ATOM 0 HZ2 LYS A 15 3.897 -13.395 8.364 1.00 24.23 H new ATOM 0 HZ3 LYS A 15 4.845 -14.692 8.914 1.00 24.23 H new ATOM 200 N LEU A 16 5.776 -7.418 9.200 1.00 11.14 N ATOM 201 CA LEU A 16 5.919 -5.980 9.413 1.00 21.34 C ATOM 202 C LEU A 16 7.309 -5.654 9.944 1.00 62.23 C ATOM 203 O LEU A 16 7.968 -6.503 10.552 1.00 33.20 O ATOM 204 CB LEU A 16 4.855 -5.468 10.404 1.00 4.33 C ATOM 205 CG LEU A 16 3.632 -4.809 9.755 1.00 32.23 C ATOM 206 CD1 LEU A 16 4.057 -3.543 9.017 1.00 73.32 C ATOM 207 CD2 LEU A 16 2.927 -5.770 8.805 1.00 15.20 C ATOM 0 H LEU A 16 5.507 -7.930 10.040 1.00 11.14 H new ATOM 0 HA LEU A 16 5.778 -5.483 8.453 1.00 21.34 H new ATOM 0 HB2 LEU A 16 4.517 -6.304 11.016 1.00 4.33 H new ATOM 0 HB3 LEU A 16 5.322 -4.749 11.077 1.00 4.33 H new ATOM 0 HG LEU A 16 2.926 -4.544 10.542 1.00 32.23 H new ATOM 0 HD11 LEU A 16 3.184 -3.079 8.558 1.00 73.32 H new ATOM 0 HD12 LEU A 16 4.510 -2.846 9.722 1.00 73.32 H new ATOM 0 HD13 LEU A 16 4.781 -3.799 8.243 1.00 73.32 H new ATOM 0 HD21 LEU A 16 2.064 -5.274 8.360 1.00 15.20 H new ATOM 0 HD22 LEU A 16 3.616 -6.074 8.017 1.00 15.20 H new ATOM 0 HD23 LEU A 16 2.596 -6.650 9.357 1.00 15.20 H new ATOM 218 N LYS A 17 7.729 -4.395 9.766 1.00 60.21 N ATOM 219 CA LYS A 17 9.027 -3.897 10.213 1.00 40.15 C ATOM 220 C LYS A 17 8.941 -2.467 10.763 1.00 54.22 C ATOM 221 O LYS A 17 9.365 -1.511 10.101 1.00 24.24 O ATOM 222 CB LYS A 17 10.053 -4.026 9.073 1.00 23.22 C ATOM 223 CG LYS A 17 9.666 -3.225 7.815 1.00 71.22 C ATOM 224 CD LYS A 17 9.514 -4.088 6.562 1.00 61.32 C ATOM 225 CE LYS A 17 10.848 -4.597 5.996 1.00 71.22 C ATOM 226 NZ LYS A 17 11.984 -3.654 6.098 1.00 32.22 N ATOM 0 H LYS A 17 7.164 -3.686 9.299 1.00 60.21 H new ATOM 0 HA LYS A 17 9.364 -4.512 11.048 1.00 40.15 H new ATOM 0 HB2 LYS A 17 11.026 -3.685 9.428 1.00 23.22 H new ATOM 0 HB3 LYS A 17 10.161 -5.078 8.807 1.00 23.22 H new ATOM 0 HG2 LYS A 17 8.728 -2.702 8.002 1.00 71.22 H new ATOM 0 HG3 LYS A 17 10.424 -2.464 7.632 1.00 71.22 H new ATOM 0 HD2 LYS A 17 8.879 -4.943 6.795 1.00 61.32 H new ATOM 0 HD3 LYS A 17 9.001 -3.510 5.794 1.00 61.32 H new ATOM 0 HE2 LYS A 17 11.115 -5.518 6.514 1.00 71.22 H new ATOM 0 HE3 LYS A 17 10.704 -4.853 4.946 1.00 71.22 H new ATOM 0 HZ1 LYS A 17 12.808 -4.048 5.600 1.00 32.22 H new ATOM 0 HZ2 LYS A 17 11.721 -2.745 5.667 1.00 32.22 H new ATOM 0 HZ3 LYS A 17 12.223 -3.505 7.099 1.00 32.22 H new ATOM 236 N ARG A 18 8.426 -2.294 11.987 1.00 75.54 N ATOM 237 CA ARG A 18 8.254 -0.978 12.623 1.00 33.23 C ATOM 238 C ARG A 18 9.516 -0.109 12.643 1.00 22.53 C ATOM 239 O ARG A 18 9.383 1.089 12.890 1.00 34.52 O ATOM 240 CB ARG A 18 7.681 -1.156 14.044 1.00 15.03 C ATOM 241 CG ARG A 18 8.589 -1.886 15.050 1.00 14.02 C ATOM 242 CD ARG A 18 7.883 -2.003 16.413 1.00 3.22 C ATOM 243 NE ARG A 18 8.652 -1.376 17.502 1.00 55.41 N ATOM 244 CZ ARG A 18 8.173 -0.815 18.620 1.00 35.43 C ATOM 245 NH1 ARG A 18 6.872 -0.628 18.823 1.00 34.23 N ATOM 246 NH2 ARG A 18 9.016 -0.448 19.567 1.00 64.31 N ATOM 0 H ARG A 18 8.114 -3.070 12.571 1.00 75.54 H new ATOM 0 HA ARG A 18 7.548 -0.429 12.000 1.00 33.23 H new ATOM 0 HB2 ARG A 18 7.446 -0.170 14.446 1.00 15.03 H new ATOM 0 HB3 ARG A 18 6.741 -1.703 13.970 1.00 15.03 H new ATOM 0 HG2 ARG A 18 8.837 -2.879 14.674 1.00 14.02 H new ATOM 0 HG3 ARG A 18 9.528 -1.344 15.164 1.00 14.02 H new ATOM 0 HD2 ARG A 18 6.900 -1.536 16.351 1.00 3.22 H new ATOM 0 HD3 ARG A 18 7.721 -3.056 16.646 1.00 3.22 H new ATOM 0 HE ARG A 18 9.666 -1.368 17.392 1.00 55.41 H new ATOM 0 HH11 ARG A 18 6.199 -0.916 18.113 1.00 34.23 H new ATOM 0 HH12 ARG A 18 6.548 -0.197 19.689 1.00 34.23 H new ATOM 0 HH21 ARG A 18 10.018 -0.593 19.442 1.00 64.31 H new ATOM 0 HH22 ARG A 18 8.666 -0.020 20.424 1.00 64.31 H new ATOM 257 N LYS A 19 10.718 -0.640 12.391 1.00 73.54 N ATOM 258 CA LYS A 19 11.910 0.156 12.098 1.00 74.11 C ATOM 259 C LYS A 19 11.655 1.070 10.891 1.00 55.45 C ATOM 260 O LYS A 19 11.719 2.291 11.025 1.00 63.15 O ATOM 261 CB LYS A 19 13.117 -0.770 11.835 1.00 15.00 C ATOM 262 CG LYS A 19 13.544 -1.644 13.035 1.00 1.42 C ATOM 263 CD LYS A 19 14.802 -1.172 13.761 1.00 1.23 C ATOM 264 CE LYS A 19 14.602 0.176 14.453 1.00 63.13 C ATOM 265 NZ LYS A 19 15.851 0.642 15.084 1.00 1.10 N ATOM 0 H LYS A 19 10.890 -1.645 12.385 1.00 73.54 H new ATOM 0 HA LYS A 19 12.137 0.782 12.961 1.00 74.11 H new ATOM 0 HB2 LYS A 19 12.878 -1.423 10.996 1.00 15.00 H new ATOM 0 HB3 LYS A 19 13.966 -0.158 11.531 1.00 15.00 H new ATOM 0 HG2 LYS A 19 12.722 -1.680 13.750 1.00 1.42 H new ATOM 0 HG3 LYS A 19 13.706 -2.663 12.684 1.00 1.42 H new ATOM 0 HD2 LYS A 19 15.093 -1.918 14.501 1.00 1.23 H new ATOM 0 HD3 LYS A 19 15.622 -1.093 13.048 1.00 1.23 H new ATOM 0 HE2 LYS A 19 14.261 0.914 13.727 1.00 63.13 H new ATOM 0 HE3 LYS A 19 13.821 0.088 15.208 1.00 63.13 H new ATOM 0 HZ1 LYS A 19 15.685 1.559 15.546 1.00 1.10 H new ATOM 0 HZ2 LYS A 19 16.161 -0.052 15.794 1.00 1.10 H new ATOM 0 HZ3 LYS A 19 16.588 0.748 14.358 1.00 1.10 H new ATOM 275 N SER A 20 11.366 0.503 9.716 1.00 75.34 N ATOM 276 CA SER A 20 11.357 1.209 8.431 1.00 11.33 C ATOM 277 C SER A 20 9.986 1.801 8.092 1.00 54.14 C ATOM 278 O SER A 20 9.882 2.571 7.141 1.00 3.01 O ATOM 279 CB SER A 20 11.737 0.238 7.303 1.00 0.30 C ATOM 280 OG SER A 20 12.830 -0.597 7.645 1.00 44.04 O ATOM 0 H SER A 20 11.126 -0.485 9.630 1.00 75.34 H new ATOM 0 HA SER A 20 12.076 2.023 8.520 1.00 11.33 H new ATOM 0 HB2 SER A 20 10.875 -0.382 7.057 1.00 0.30 H new ATOM 0 HB3 SER A 20 11.986 0.807 6.408 1.00 0.30 H new ATOM 0 HG SER A 20 13.031 -1.196 6.896 1.00 44.04 H new ATOM 285 N ARG A 21 8.934 1.440 8.834 1.00 34.32 N ATOM 286 CA ARG A 21 7.526 1.665 8.511 1.00 34.10 C ATOM 287 C ARG A 21 7.109 1.140 7.128 1.00 43.04 C ATOM 288 O ARG A 21 6.430 1.796 6.342 1.00 20.44 O ATOM 289 CB ARG A 21 7.054 3.064 8.894 1.00 55.35 C ATOM 290 CG ARG A 21 7.378 4.238 7.964 1.00 2.00 C ATOM 291 CD ARG A 21 8.478 5.164 8.491 1.00 35.11 C ATOM 292 NE ARG A 21 8.705 6.279 7.558 1.00 21.33 N ATOM 293 CZ ARG A 21 9.374 6.241 6.398 1.00 22.21 C ATOM 294 NH1 ARG A 21 10.108 5.184 6.070 1.00 42.05 N ATOM 295 NH2 ARG A 21 9.283 7.273 5.568 1.00 41.21 N ATOM 0 H ARG A 21 9.051 0.957 9.724 1.00 34.32 H new ATOM 0 HA ARG A 21 6.941 1.019 9.166 1.00 34.10 H new ATOM 0 HB2 ARG A 21 5.971 3.026 9.010 1.00 55.35 H new ATOM 0 HB3 ARG A 21 7.472 3.295 9.874 1.00 55.35 H new ATOM 0 HG2 ARG A 21 7.681 3.846 6.993 1.00 2.00 H new ATOM 0 HG3 ARG A 21 6.472 4.822 7.803 1.00 2.00 H new ATOM 0 HD2 ARG A 21 8.196 5.553 9.470 1.00 35.11 H new ATOM 0 HD3 ARG A 21 9.402 4.601 8.626 1.00 35.11 H new ATOM 0 HE ARG A 21 8.309 7.181 7.824 1.00 21.33 H new ATOM 0 HH11 ARG A 21 10.168 4.388 6.705 1.00 42.05 H new ATOM 0 HH12 ARG A 21 10.612 5.168 5.183 1.00 42.05 H new ATOM 0 HH21 ARG A 21 8.710 8.079 5.817 1.00 41.21 H new ATOM 0 HH22 ARG A 21 9.786 7.260 4.681 1.00 41.21 H new ATOM 306 N GLN A 22 7.491 -0.103 6.846 1.00 64.21 N ATOM 307 CA GLN A 22 7.169 -0.821 5.613 1.00 62.31 C ATOM 308 C GLN A 22 6.542 -2.175 5.974 1.00 32.14 C ATOM 309 O GLN A 22 6.460 -2.536 7.152 1.00 43.15 O ATOM 310 CB GLN A 22 8.452 -0.931 4.759 1.00 15.23 C ATOM 311 CG GLN A 22 8.681 0.328 3.902 1.00 55.12 C ATOM 312 CD GLN A 22 10.137 0.556 3.518 1.00 23.13 C ATOM 313 OE1 GLN A 22 10.697 1.615 3.784 1.00 53.42 O ATOM 314 NE2 GLN A 22 10.796 -0.409 2.897 1.00 20.20 N ATOM 0 H GLN A 22 8.053 -0.658 7.491 1.00 64.21 H new ATOM 0 HA GLN A 22 6.432 -0.290 5.010 1.00 62.31 H new ATOM 0 HB2 GLN A 22 9.311 -1.087 5.412 1.00 15.23 H new ATOM 0 HB3 GLN A 22 8.383 -1.804 4.110 1.00 15.23 H new ATOM 0 HG2 GLN A 22 8.084 0.251 2.994 1.00 55.12 H new ATOM 0 HG3 GLN A 22 8.319 1.199 4.449 1.00 55.12 H new ATOM 0 HE21 GLN A 22 10.327 -1.288 2.678 1.00 20.20 H new ATOM 0 HE22 GLN A 22 11.773 -0.274 2.638 1.00 20.20 H new ATOM 321 N LEU A 23 6.087 -2.927 4.978 1.00 15.22 N ATOM 322 CA LEU A 23 5.423 -4.219 5.125 1.00 43.42 C ATOM 323 C LEU A 23 5.955 -5.132 4.027 1.00 54.13 C ATOM 324 O LEU A 23 6.086 -4.695 2.885 1.00 63.51 O ATOM 325 CB LEU A 23 3.896 -3.978 5.039 1.00 4.10 C ATOM 326 CG LEU A 23 2.945 -5.154 4.727 1.00 54.21 C ATOM 327 CD1 LEU A 23 2.677 -5.230 3.236 1.00 55.33 C ATOM 328 CD2 LEU A 23 3.256 -6.527 5.324 1.00 62.13 C ATOM 0 H LEU A 23 6.174 -2.641 4.003 1.00 15.22 H new ATOM 0 HA LEU A 23 5.622 -4.701 6.082 1.00 43.42 H new ATOM 0 HB2 LEU A 23 3.581 -3.550 5.991 1.00 4.10 H new ATOM 0 HB3 LEU A 23 3.730 -3.216 4.277 1.00 4.10 H new ATOM 0 HG LEU A 23 2.041 -4.892 5.276 1.00 54.21 H new ATOM 0 HD11 LEU A 23 2.005 -6.063 3.029 1.00 55.33 H new ATOM 0 HD12 LEU A 23 2.216 -4.301 2.901 1.00 55.33 H new ATOM 0 HD13 LEU A 23 3.617 -5.381 2.705 1.00 55.33 H new ATOM 0 HD21 LEU A 23 2.495 -7.241 5.010 1.00 62.13 H new ATOM 0 HD22 LEU A 23 4.233 -6.862 4.976 1.00 62.13 H new ATOM 0 HD23 LEU A 23 3.262 -6.458 6.412 1.00 62.13 H new ATOM 339 N GLU A 24 6.297 -6.368 4.379 1.00 64.12 N ATOM 340 CA GLU A 24 6.862 -7.369 3.473 1.00 41.04 C ATOM 341 C GLU A 24 5.837 -8.440 3.189 1.00 54.44 C ATOM 342 O GLU A 24 5.094 -8.854 4.078 1.00 52.02 O ATOM 343 CB GLU A 24 8.089 -8.069 4.050 1.00 61.22 C ATOM 344 CG GLU A 24 9.202 -7.061 4.328 1.00 4.01 C ATOM 345 CD GLU A 24 10.606 -7.669 4.439 1.00 74.15 C ATOM 346 OE1 GLU A 24 10.764 -8.903 4.580 1.00 42.14 O ATOM 347 OE2 GLU A 24 11.591 -6.890 4.403 1.00 24.31 O ATOM 0 H GLU A 24 6.186 -6.714 5.332 1.00 64.12 H new ATOM 0 HA GLU A 24 7.153 -6.829 2.572 1.00 41.04 H new ATOM 0 HB2 GLU A 24 7.820 -8.585 4.972 1.00 61.22 H new ATOM 0 HB3 GLU A 24 8.444 -8.827 3.352 1.00 61.22 H new ATOM 0 HG2 GLU A 24 9.206 -6.316 3.532 1.00 4.01 H new ATOM 0 HG3 GLU A 24 8.974 -6.536 5.256 1.00 4.01 H new ATOM 352 N ILE A 25 5.828 -8.901 1.948 1.00 51.13 N ATOM 353 CA ILE A 25 4.765 -9.684 1.372 1.00 55.14 C ATOM 354 C ILE A 25 5.458 -10.875 0.729 1.00 44.32 C ATOM 355 O ILE A 25 6.411 -10.693 -0.032 1.00 14.11 O ATOM 356 CB ILE A 25 3.993 -8.802 0.358 1.00 32.53 C ATOM 357 CG1 ILE A 25 3.345 -7.582 1.062 1.00 0.20 C ATOM 358 CG2 ILE A 25 2.906 -9.598 -0.388 1.00 44.13 C ATOM 359 CD1 ILE A 25 2.789 -6.530 0.093 1.00 23.44 C ATOM 0 H ILE A 25 6.594 -8.729 1.296 1.00 51.13 H new ATOM 0 HA ILE A 25 4.025 -10.034 2.092 1.00 55.14 H new ATOM 0 HB ILE A 25 4.724 -8.453 -0.371 1.00 32.53 H new ATOM 0 HG12 ILE A 25 2.538 -7.932 1.705 1.00 0.20 H new ATOM 0 HG13 ILE A 25 4.086 -7.111 1.708 1.00 0.20 H new ATOM 0 HG21 ILE A 25 2.390 -8.941 -1.088 1.00 44.13 H new ATOM 0 HG22 ILE A 25 3.368 -10.420 -0.935 1.00 44.13 H new ATOM 0 HG23 ILE A 25 2.190 -9.997 0.330 1.00 44.13 H new ATOM 0 HD11 ILE A 25 2.352 -5.708 0.660 1.00 23.44 H new ATOM 0 HD12 ILE A 25 3.596 -6.150 -0.534 1.00 23.44 H new ATOM 0 HD13 ILE A 25 2.023 -6.984 -0.536 1.00 23.44 H new ATOM 370 N SER A 26 4.981 -12.077 1.036 1.00 23.22 N ATOM 371 CA SER A 26 5.539 -13.330 0.567 1.00 0.32 C ATOM 372 C SER A 26 4.399 -14.164 0.019 1.00 73.55 C ATOM 373 O SER A 26 3.307 -14.200 0.600 1.00 75.54 O ATOM 374 CB SER A 26 6.296 -13.999 1.721 1.00 2.32 C ATOM 375 OG SER A 26 6.827 -15.266 1.406 1.00 24.50 O ATOM 0 H SER A 26 4.168 -12.204 1.639 1.00 23.22 H new ATOM 0 HA SER A 26 6.263 -13.192 -0.236 1.00 0.32 H new ATOM 0 HB2 SER A 26 7.109 -13.345 2.035 1.00 2.32 H new ATOM 0 HB3 SER A 26 5.622 -14.101 2.572 1.00 2.32 H new ATOM 0 HG SER A 26 7.295 -15.628 2.187 1.00 24.50 H new ATOM 380 N PHE A 27 4.666 -14.792 -1.118 1.00 1.04 N ATOM 381 CA PHE A 27 3.716 -15.581 -1.881 1.00 60.11 C ATOM 382 C PHE A 27 4.072 -17.058 -1.790 1.00 14.03 C ATOM 383 O PHE A 27 5.189 -17.431 -1.430 1.00 12.23 O ATOM 384 CB PHE A 27 3.721 -15.123 -3.349 1.00 32.43 C ATOM 385 CG PHE A 27 2.825 -13.943 -3.658 1.00 12.21 C ATOM 386 CD1 PHE A 27 1.443 -14.072 -3.454 1.00 60.43 C ATOM 387 CD2 PHE A 27 3.327 -12.758 -4.222 1.00 73.25 C ATOM 388 CE1 PHE A 27 0.564 -13.032 -3.788 1.00 60.25 C ATOM 389 CE2 PHE A 27 2.442 -11.723 -4.575 1.00 23.20 C ATOM 390 CZ PHE A 27 1.062 -11.849 -4.352 1.00 52.02 C ATOM 0 H PHE A 27 5.590 -14.763 -1.549 1.00 1.04 H new ATOM 0 HA PHE A 27 2.718 -15.437 -1.468 1.00 60.11 H new ATOM 0 HB2 PHE A 27 4.743 -14.867 -3.630 1.00 32.43 H new ATOM 0 HB3 PHE A 27 3.419 -15.962 -3.976 1.00 32.43 H new ATOM 0 HD1 PHE A 27 1.050 -14.986 -3.033 1.00 60.43 H new ATOM 0 HD2 PHE A 27 4.388 -12.642 -4.384 1.00 73.25 H new ATOM 0 HE1 PHE A 27 -0.496 -13.142 -3.611 1.00 60.25 H new ATOM 0 HE2 PHE A 27 2.829 -10.820 -5.023 1.00 23.20 H new ATOM 0 HZ PHE A 27 0.391 -11.044 -4.612 1.00 52.02 H new ATOM 399 N ASP A 28 3.134 -17.913 -2.200 1.00 51.04 N ATOM 400 CA ASP A 28 3.330 -19.364 -2.237 1.00 21.51 C ATOM 401 C ASP A 28 3.523 -19.851 -3.682 1.00 33.23 C ATOM 402 O ASP A 28 3.099 -20.938 -4.069 1.00 61.32 O ATOM 403 CB ASP A 28 2.239 -20.082 -1.404 1.00 3.10 C ATOM 404 CG ASP A 28 2.807 -20.923 -0.251 1.00 51.11 C ATOM 405 OD1 ASP A 28 3.997 -21.315 -0.300 1.00 1.44 O ATOM 406 OD2 ASP A 28 2.089 -21.112 0.755 1.00 23.43 O ATOM 0 H ASP A 28 2.211 -17.617 -2.518 1.00 51.04 H new ATOM 0 HA ASP A 28 4.262 -19.639 -1.744 1.00 21.51 H new ATOM 0 HB2 ASP A 28 1.554 -19.338 -0.998 1.00 3.10 H new ATOM 0 HB3 ASP A 28 1.656 -20.727 -2.061 1.00 3.10 H new ATOM 410 N ASN A 29 4.163 -19.008 -4.501 1.00 44.15 N ATOM 411 CA ASN A 29 4.645 -19.305 -5.844 1.00 75.34 C ATOM 412 C ASN A 29 6.140 -18.988 -6.018 1.00 61.42 C ATOM 413 O ASN A 29 6.649 -19.081 -7.132 1.00 33.23 O ATOM 414 CB ASN A 29 3.795 -18.552 -6.880 1.00 15.00 C ATOM 415 CG ASN A 29 4.362 -17.195 -7.301 1.00 73.51 C ATOM 416 OD1 ASN A 29 4.289 -16.172 -6.469 1.00 31.34 O flip ATOM 417 ND2 ASN A 29 4.879 -17.030 -8.395 1.00 43.34 N flip ATOM 0 H ASN A 29 4.367 -18.048 -4.223 1.00 44.15 H new ATOM 0 HA ASN A 29 4.540 -20.378 -6.004 1.00 75.34 H new ATOM 0 HB2 ASN A 29 3.687 -19.177 -7.766 1.00 15.00 H new ATOM 0 HB3 ASN A 29 2.795 -18.403 -6.472 1.00 15.00 H new ATOM 0 HD21 ASN A 29 4.944 -17.808 -9.051 1.00 43.34 H new ATOM 0 HD22 ASN A 29 5.246 -16.114 -8.653 1.00 43.34 H new ATOM 423 N GLY A 30 6.837 -18.581 -4.949 1.00 53.22 N ATOM 424 CA GLY A 30 8.250 -18.225 -5.024 1.00 72.33 C ATOM 425 C GLY A 30 8.471 -16.775 -5.456 1.00 44.14 C ATOM 426 O GLY A 30 9.380 -16.501 -6.236 1.00 4.13 O ATOM 0 H GLY A 30 6.435 -18.491 -4.016 1.00 53.22 H new ATOM 0 HA2 GLY A 30 8.713 -18.384 -4.050 1.00 72.33 H new ATOM 0 HA3 GLY A 30 8.751 -18.890 -5.728 1.00 72.33 H new ATOM 430 N GLN A 31 7.693 -15.825 -4.928 1.00 2.00 N ATOM 431 CA GLN A 31 7.966 -14.392 -5.066 1.00 22.54 C ATOM 432 C GLN A 31 7.893 -13.757 -3.677 1.00 11.12 C ATOM 433 O GLN A 31 7.229 -14.283 -2.777 1.00 35.50 O ATOM 434 CB GLN A 31 6.957 -13.717 -6.008 1.00 13.41 C ATOM 435 CG GLN A 31 6.998 -14.161 -7.481 1.00 61.31 C ATOM 436 CD GLN A 31 7.985 -13.433 -8.403 1.00 32.22 C ATOM 437 OE1 GLN A 31 8.649 -14.050 -9.233 1.00 14.41 O ATOM 438 NE2 GLN A 31 8.008 -12.111 -8.402 1.00 14.23 N ATOM 0 H GLN A 31 6.851 -16.030 -4.390 1.00 2.00 H new ATOM 0 HA GLN A 31 8.957 -14.255 -5.499 1.00 22.54 H new ATOM 0 HB2 GLN A 31 5.954 -13.900 -5.623 1.00 13.41 H new ATOM 0 HB3 GLN A 31 7.121 -12.640 -5.970 1.00 13.41 H new ATOM 0 HG2 GLN A 31 7.233 -15.225 -7.507 1.00 61.31 H new ATOM 0 HG3 GLN A 31 5.997 -14.045 -7.897 1.00 61.31 H new ATOM 0 HE21 GLN A 31 7.460 -11.592 -7.716 1.00 14.23 H new ATOM 0 HE22 GLN A 31 8.574 -11.610 -9.087 1.00 14.23 H new ATOM 445 N GLN A 32 8.540 -12.602 -3.540 1.00 52.25 N ATOM 446 CA GLN A 32 8.591 -11.785 -2.328 1.00 41.31 C ATOM 447 C GLN A 32 8.848 -10.325 -2.704 1.00 31.50 C ATOM 448 O GLN A 32 9.578 -10.059 -3.662 1.00 51.32 O ATOM 449 CB GLN A 32 9.686 -12.307 -1.369 1.00 1.14 C ATOM 450 CG GLN A 32 9.034 -12.946 -0.139 1.00 31.52 C ATOM 451 CD GLN A 32 9.990 -13.764 0.716 1.00 43.23 C ATOM 452 OE1 GLN A 32 10.050 -14.987 0.600 1.00 24.23 O ATOM 453 NE2 GLN A 32 10.699 -13.143 1.639 1.00 2.43 N ATOM 0 H GLN A 32 9.069 -12.189 -4.308 1.00 52.25 H new ATOM 0 HA GLN A 32 7.634 -11.852 -1.811 1.00 41.31 H new ATOM 0 HB2 GLN A 32 10.313 -13.037 -1.881 1.00 1.14 H new ATOM 0 HB3 GLN A 32 10.336 -11.487 -1.063 1.00 1.14 H new ATOM 0 HG2 GLN A 32 8.595 -12.160 0.476 1.00 31.52 H new ATOM 0 HG3 GLN A 32 8.216 -13.588 -0.467 1.00 31.52 H new ATOM 0 HE21 GLN A 32 10.643 -12.128 1.728 1.00 2.43 H new ATOM 0 HE22 GLN A 32 11.303 -13.677 2.263 1.00 2.43 H new ATOM 460 N PHE A 33 8.283 -9.373 -1.959 1.00 61.35 N ATOM 461 CA PHE A 33 8.528 -7.939 -2.115 1.00 34.22 C ATOM 462 C PHE A 33 8.141 -7.202 -0.831 1.00 32.14 C ATOM 463 O PHE A 33 7.717 -7.822 0.146 1.00 4.41 O ATOM 464 CB PHE A 33 7.782 -7.385 -3.343 1.00 12.01 C ATOM 465 CG PHE A 33 6.342 -7.797 -3.541 1.00 12.22 C ATOM 466 CD1 PHE A 33 5.317 -7.203 -2.782 1.00 74.21 C ATOM 467 CD2 PHE A 33 6.016 -8.669 -4.595 1.00 41.15 C ATOM 468 CE1 PHE A 33 3.974 -7.486 -3.082 1.00 53.42 C ATOM 469 CE2 PHE A 33 4.674 -8.947 -4.893 1.00 24.30 C ATOM 470 CZ PHE A 33 3.652 -8.373 -4.118 1.00 13.43 C ATOM 0 H PHE A 33 7.624 -9.585 -1.210 1.00 61.35 H new ATOM 0 HA PHE A 33 9.592 -7.776 -2.289 1.00 34.22 H new ATOM 0 HB2 PHE A 33 7.814 -6.297 -3.291 1.00 12.01 H new ATOM 0 HB3 PHE A 33 8.339 -7.678 -4.233 1.00 12.01 H new ATOM 0 HD1 PHE A 33 5.562 -6.532 -1.972 1.00 74.21 H new ATOM 0 HD2 PHE A 33 6.802 -9.126 -5.177 1.00 41.15 H new ATOM 0 HE1 PHE A 33 3.186 -7.018 -2.511 1.00 53.42 H new ATOM 0 HE2 PHE A 33 4.427 -9.601 -5.716 1.00 24.30 H new ATOM 0 HZ PHE A 33 2.619 -8.615 -4.321 1.00 13.43 H new ATOM 479 N THR A 34 8.282 -5.880 -0.832 1.00 44.44 N ATOM 480 CA THR A 34 8.000 -4.994 0.285 1.00 52.05 C ATOM 481 C THR A 34 7.340 -3.738 -0.292 1.00 24.33 C ATOM 482 O THR A 34 7.700 -3.347 -1.401 1.00 54.35 O ATOM 483 CB THR A 34 9.333 -4.650 0.969 1.00 13.30 C ATOM 484 OG1 THR A 34 10.105 -5.804 1.267 1.00 34.44 O ATOM 485 CG2 THR A 34 9.188 -3.817 2.245 1.00 15.32 C ATOM 0 H THR A 34 8.613 -5.376 -1.655 1.00 44.44 H new ATOM 0 HA THR A 34 7.338 -5.450 1.021 1.00 52.05 H new ATOM 0 HB THR A 34 9.851 -4.041 0.228 1.00 13.30 H new ATOM 0 HG1 THR A 34 10.942 -5.535 1.699 1.00 34.44 H new ATOM 0 HG21 THR A 34 10.174 -3.619 2.664 1.00 15.32 H new ATOM 0 HG22 THR A 34 8.697 -2.873 2.009 1.00 15.32 H new ATOM 0 HG23 THR A 34 8.589 -4.366 2.972 1.00 15.32 H new ATOM 493 N LEU A 35 6.419 -3.115 0.449 1.00 0.20 N ATOM 494 CA LEU A 35 5.818 -1.815 0.143 1.00 20.24 C ATOM 495 C LEU A 35 5.812 -0.943 1.396 1.00 24.53 C ATOM 496 O LEU A 35 6.007 -1.446 2.513 1.00 60.53 O ATOM 497 CB LEU A 35 4.379 -2.021 -0.351 1.00 52.22 C ATOM 498 CG LEU A 35 4.339 -2.468 -1.821 1.00 55.31 C ATOM 499 CD1 LEU A 35 3.063 -3.256 -2.068 1.00 11.23 C ATOM 500 CD2 LEU A 35 4.408 -1.276 -2.769 1.00 32.52 C ATOM 0 H LEU A 35 6.058 -3.519 1.313 1.00 0.20 H new ATOM 0 HA LEU A 35 6.401 -1.320 -0.634 1.00 20.24 H new ATOM 0 HB2 LEU A 35 3.885 -2.768 0.270 1.00 52.22 H new ATOM 0 HB3 LEU A 35 3.819 -1.092 -0.238 1.00 52.22 H new ATOM 0 HG LEU A 35 5.209 -3.095 -2.016 1.00 55.31 H new ATOM 0 HD11 LEU A 35 3.029 -3.576 -3.109 1.00 11.23 H new ATOM 0 HD12 LEU A 35 3.044 -4.131 -1.419 1.00 11.23 H new ATOM 0 HD13 LEU A 35 2.199 -2.627 -1.853 1.00 11.23 H new ATOM 0 HD21 LEU A 35 4.377 -1.629 -3.800 1.00 32.52 H new ATOM 0 HD22 LEU A 35 3.560 -0.616 -2.586 1.00 32.52 H new ATOM 0 HD23 LEU A 35 5.336 -0.730 -2.600 1.00 32.52 H new ATOM 511 N SER A 36 5.564 0.355 1.231 1.00 60.53 N ATOM 512 CA SER A 36 5.476 1.291 2.337 1.00 33.20 C ATOM 513 C SER A 36 4.044 1.391 2.861 1.00 63.53 C ATOM 514 O SER A 36 3.064 1.216 2.132 1.00 2.21 O ATOM 515 CB SER A 36 6.049 2.646 1.915 1.00 24.31 C ATOM 516 OG SER A 36 5.169 3.337 1.067 1.00 0.34 O ATOM 0 H SER A 36 5.418 0.784 0.317 1.00 60.53 H new ATOM 0 HA SER A 36 6.077 0.925 3.169 1.00 33.20 H new ATOM 0 HB2 SER A 36 6.250 3.249 2.801 1.00 24.31 H new ATOM 0 HB3 SER A 36 7.002 2.497 1.408 1.00 24.31 H new ATOM 0 HG SER A 36 5.564 4.198 0.817 1.00 0.34 H new ATOM 521 N CYS A 37 3.915 1.703 4.152 1.00 33.20 N ATOM 522 CA CYS A 37 2.617 1.982 4.756 1.00 3.12 C ATOM 523 C CYS A 37 2.003 3.280 4.231 1.00 11.30 C ATOM 524 O CYS A 37 0.782 3.423 4.278 1.00 74.31 O ATOM 525 CB CYS A 37 2.779 2.045 6.269 1.00 44.21 C ATOM 526 SG CYS A 37 3.231 0.389 6.863 1.00 75.51 S ATOM 0 H CYS A 37 4.700 1.768 4.800 1.00 33.20 H new ATOM 0 HA CYS A 37 1.933 1.178 4.485 1.00 3.12 H new ATOM 0 HB2 CYS A 37 3.548 2.768 6.539 1.00 44.21 H new ATOM 0 HB3 CYS A 37 1.852 2.376 6.737 1.00 44.21 H new ATOM 0 HG CYS A 37 3.378 0.416 8.154 1.00 75.51 H new ATOM 531 N GLU A 38 2.821 4.208 3.732 1.00 73.13 N ATOM 532 CA GLU A 38 2.362 5.359 2.977 1.00 75.43 C ATOM 533 C GLU A 38 1.628 4.862 1.723 1.00 51.33 C ATOM 534 O GLU A 38 0.410 5.037 1.620 1.00 31.30 O ATOM 535 CB GLU A 38 3.564 6.280 2.702 1.00 72.23 C ATOM 536 CG GLU A 38 3.335 7.338 1.613 1.00 4.10 C ATOM 537 CD GLU A 38 3.653 6.830 0.205 1.00 32.54 C ATOM 538 OE1 GLU A 38 4.834 6.478 -0.034 1.00 75.35 O ATOM 539 OE2 GLU A 38 2.736 6.828 -0.638 1.00 20.34 O ATOM 0 H GLU A 38 3.834 4.174 3.846 1.00 73.13 H new ATOM 0 HA GLU A 38 1.642 5.962 3.530 1.00 75.43 H new ATOM 0 HB2 GLU A 38 3.834 6.787 3.629 1.00 72.23 H new ATOM 0 HB3 GLU A 38 4.416 5.664 2.416 1.00 72.23 H new ATOM 0 HG2 GLU A 38 2.297 7.667 1.648 1.00 4.10 H new ATOM 0 HG3 GLU A 38 3.953 8.210 1.826 1.00 4.10 H new ATOM 544 N LEU A 39 2.347 4.200 0.806 1.00 52.41 N ATOM 545 CA LEU A 39 1.860 3.914 -0.545 1.00 73.42 C ATOM 546 C LEU A 39 0.618 3.026 -0.476 1.00 40.32 C ATOM 547 O LEU A 39 -0.276 3.142 -1.303 1.00 75.15 O ATOM 548 CB LEU A 39 2.965 3.241 -1.388 1.00 43.33 C ATOM 549 CG LEU A 39 2.715 3.312 -2.912 1.00 34.51 C ATOM 550 CD1 LEU A 39 3.286 4.609 -3.511 1.00 71.55 C ATOM 551 CD2 LEU A 39 3.355 2.110 -3.611 1.00 21.53 C ATOM 0 H LEU A 39 3.287 3.847 0.984 1.00 52.41 H new ATOM 0 HA LEU A 39 1.591 4.854 -1.027 1.00 73.42 H new ATOM 0 HB2 LEU A 39 3.920 3.715 -1.163 1.00 43.33 H new ATOM 0 HB3 LEU A 39 3.050 2.196 -1.091 1.00 43.33 H new ATOM 0 HG LEU A 39 1.637 3.299 -3.070 1.00 34.51 H new ATOM 0 HD11 LEU A 39 3.094 4.629 -4.584 1.00 71.55 H new ATOM 0 HD12 LEU A 39 2.808 5.468 -3.041 1.00 71.55 H new ATOM 0 HD13 LEU A 39 4.361 4.649 -3.334 1.00 71.55 H new ATOM 0 HD21 LEU A 39 3.171 2.173 -4.684 1.00 21.53 H new ATOM 0 HD22 LEU A 39 4.429 2.111 -3.426 1.00 21.53 H new ATOM 0 HD23 LEU A 39 2.921 1.189 -3.222 1.00 21.53 H new ATOM 562 N LEU A 40 0.536 2.162 0.544 1.00 13.00 N ATOM 563 CA LEU A 40 -0.633 1.339 0.846 1.00 2.42 C ATOM 564 C LEU A 40 -1.909 2.186 0.941 1.00 11.23 C ATOM 565 O LEU A 40 -2.895 1.893 0.271 1.00 40.45 O ATOM 566 CB LEU A 40 -0.381 0.533 2.142 1.00 74.22 C ATOM 567 CG LEU A 40 0.430 -0.758 1.887 1.00 21.22 C ATOM 568 CD1 LEU A 40 1.048 -1.285 3.191 1.00 72.32 C ATOM 569 CD2 LEU A 40 -0.445 -1.855 1.264 1.00 2.00 C ATOM 0 H LEU A 40 1.305 2.015 1.198 1.00 13.00 H new ATOM 0 HA LEU A 40 -0.788 0.637 0.027 1.00 2.42 H new ATOM 0 HB2 LEU A 40 0.153 1.159 2.857 1.00 74.22 H new ATOM 0 HB3 LEU A 40 -1.337 0.274 2.597 1.00 74.22 H new ATOM 0 HG LEU A 40 1.226 -0.502 1.188 1.00 21.22 H new ATOM 0 HD11 LEU A 40 1.613 -2.194 2.984 1.00 72.32 H new ATOM 0 HD12 LEU A 40 1.714 -0.530 3.609 1.00 72.32 H new ATOM 0 HD13 LEU A 40 0.255 -1.505 3.906 1.00 72.32 H new ATOM 0 HD21 LEU A 40 0.156 -2.749 1.098 1.00 2.00 H new ATOM 0 HD22 LEU A 40 -1.268 -2.091 1.939 1.00 2.00 H new ATOM 0 HD23 LEU A 40 -0.845 -1.505 0.313 1.00 2.00 H new ATOM 580 N ARG A 41 -1.929 3.215 1.790 1.00 0.31 N ATOM 581 CA ARG A 41 -3.147 3.994 2.042 1.00 35.21 C ATOM 582 C ARG A 41 -3.364 5.041 0.956 1.00 55.24 C ATOM 583 O ARG A 41 -4.517 5.394 0.703 1.00 0.14 O ATOM 584 CB ARG A 41 -3.019 4.642 3.438 1.00 72.34 C ATOM 585 CG ARG A 41 -4.327 4.871 4.214 1.00 75.35 C ATOM 586 CD ARG A 41 -5.265 5.931 3.621 1.00 35.33 C ATOM 587 NE ARG A 41 -5.902 6.739 4.669 1.00 72.12 N ATOM 588 CZ ARG A 41 -6.990 7.512 4.575 1.00 33.34 C ATOM 589 NH1 ARG A 41 -7.742 7.551 3.480 1.00 31.33 N ATOM 590 NH2 ARG A 41 -7.308 8.281 5.605 1.00 51.11 N ATOM 0 H ARG A 41 -1.114 3.530 2.317 1.00 0.31 H new ATOM 0 HA ARG A 41 -4.020 3.342 2.020 1.00 35.21 H new ATOM 0 HB2 ARG A 41 -2.368 4.015 4.046 1.00 72.34 H new ATOM 0 HB3 ARG A 41 -2.519 5.603 3.323 1.00 72.34 H new ATOM 0 HG2 ARG A 41 -4.866 3.925 4.273 1.00 75.35 H new ATOM 0 HG3 ARG A 41 -4.078 5.160 5.235 1.00 75.35 H new ATOM 0 HD2 ARG A 41 -4.702 6.581 2.951 1.00 35.33 H new ATOM 0 HD3 ARG A 41 -6.033 5.443 3.021 1.00 35.33 H new ATOM 0 HE ARG A 41 -5.458 6.707 5.587 1.00 72.12 H new ATOM 0 HH11 ARG A 41 -7.497 6.978 2.672 1.00 31.33 H new ATOM 0 HH12 ARG A 41 -8.564 8.154 3.447 1.00 31.33 H new ATOM 0 HH21 ARG A 41 -6.728 8.275 6.444 1.00 51.11 H new ATOM 0 HH22 ARG A 41 -8.132 8.880 5.559 1.00 51.11 H new ATOM 601 N VAL A 42 -2.297 5.587 0.365 1.00 62.42 N ATOM 602 CA VAL A 42 -2.347 6.537 -0.718 1.00 42.45 C ATOM 603 C VAL A 42 -2.952 5.841 -1.943 1.00 32.13 C ATOM 604 O VAL A 42 -3.986 6.296 -2.426 1.00 72.45 O ATOM 605 CB VAL A 42 -0.909 7.064 -0.906 1.00 23.32 C ATOM 606 CG1 VAL A 42 -0.789 7.960 -2.124 1.00 11.30 C ATOM 607 CG2 VAL A 42 -0.454 7.903 0.301 1.00 74.21 C ATOM 0 H VAL A 42 -1.344 5.362 0.649 1.00 62.42 H new ATOM 0 HA VAL A 42 -2.986 7.399 -0.529 1.00 42.45 H new ATOM 0 HB VAL A 42 -0.287 6.177 -1.021 1.00 23.32 H new ATOM 0 HG11 VAL A 42 0.239 8.309 -2.219 1.00 11.30 H new ATOM 0 HG12 VAL A 42 -1.066 7.399 -3.017 1.00 11.30 H new ATOM 0 HG13 VAL A 42 -1.454 8.816 -2.013 1.00 11.30 H new ATOM 0 HG21 VAL A 42 0.563 8.258 0.135 1.00 74.21 H new ATOM 0 HG22 VAL A 42 -1.121 8.757 0.423 1.00 74.21 H new ATOM 0 HG23 VAL A 42 -0.481 7.290 1.202 1.00 74.21 H new ATOM 617 N TYR A 43 -2.365 4.737 -2.421 1.00 41.33 N ATOM 618 CA TYR A 43 -2.854 3.991 -3.573 1.00 13.14 C ATOM 619 C TYR A 43 -3.961 3.040 -3.133 1.00 40.31 C ATOM 620 O TYR A 43 -3.852 1.815 -3.243 1.00 32.23 O ATOM 621 CB TYR A 43 -1.713 3.271 -4.311 1.00 35.34 C ATOM 622 CG TYR A 43 -1.843 3.403 -5.816 1.00 61.51 C ATOM 623 CD1 TYR A 43 -2.817 2.688 -6.541 1.00 12.11 C ATOM 624 CD2 TYR A 43 -1.003 4.306 -6.481 1.00 20.52 C ATOM 625 CE1 TYR A 43 -2.915 2.849 -7.936 1.00 75.22 C ATOM 626 CE2 TYR A 43 -1.113 4.501 -7.868 1.00 32.13 C ATOM 627 CZ TYR A 43 -2.056 3.750 -8.610 1.00 11.10 C ATOM 628 OH TYR A 43 -2.127 3.900 -9.961 1.00 74.51 O ATOM 0 H TYR A 43 -1.524 4.335 -2.007 1.00 41.33 H new ATOM 0 HA TYR A 43 -3.277 4.690 -4.295 1.00 13.14 H new ATOM 0 HB2 TYR A 43 -0.756 3.684 -3.991 1.00 35.34 H new ATOM 0 HB3 TYR A 43 -1.712 2.216 -4.038 1.00 35.34 H new ATOM 0 HD1 TYR A 43 -3.488 2.016 -6.026 1.00 12.11 H new ATOM 0 HD2 TYR A 43 -0.263 4.858 -5.921 1.00 20.52 H new ATOM 0 HE1 TYR A 43 -3.647 2.284 -8.493 1.00 75.22 H new ATOM 0 HE2 TYR A 43 -0.481 5.221 -8.366 1.00 32.13 H new ATOM 0 HH TYR A 43 -1.866 4.813 -10.203 1.00 74.51 H new ATOM 637 N SER A 44 -5.045 3.600 -2.609 1.00 20.22 N ATOM 638 CA SER A 44 -6.229 2.817 -2.339 1.00 4.41 C ATOM 639 C SER A 44 -6.730 2.204 -3.670 1.00 53.25 C ATOM 640 O SER A 44 -6.638 2.834 -4.730 1.00 40.34 O ATOM 641 CB SER A 44 -7.233 3.699 -1.587 1.00 71.15 C ATOM 642 OG SER A 44 -7.588 4.840 -2.344 1.00 11.21 O ATOM 0 H SER A 44 -5.122 4.588 -2.366 1.00 20.22 H new ATOM 0 HA SER A 44 -6.042 1.967 -1.683 1.00 4.41 H new ATOM 0 HB2 SER A 44 -8.128 3.120 -1.358 1.00 71.15 H new ATOM 0 HB3 SER A 44 -6.803 4.012 -0.635 1.00 71.15 H new ATOM 0 HG SER A 44 -8.230 5.381 -1.839 1.00 11.21 H new ATOM 647 N PRO A 45 -7.276 0.979 -3.641 1.00 14.12 N ATOM 648 CA PRO A 45 -7.694 0.212 -4.820 1.00 11.34 C ATOM 649 C PRO A 45 -9.022 0.717 -5.406 1.00 42.15 C ATOM 650 O PRO A 45 -9.554 0.182 -6.387 1.00 35.31 O ATOM 651 CB PRO A 45 -7.850 -1.208 -4.290 1.00 15.43 C ATOM 652 CG PRO A 45 -8.433 -0.950 -2.905 1.00 2.32 C ATOM 653 CD PRO A 45 -7.631 0.259 -2.433 1.00 21.50 C ATOM 0 HA PRO A 45 -6.974 0.297 -5.634 1.00 11.34 H new ATOM 0 HB2 PRO A 45 -8.516 -1.807 -4.911 1.00 15.43 H new ATOM 0 HB3 PRO A 45 -6.897 -1.736 -4.243 1.00 15.43 H new ATOM 0 HG2 PRO A 45 -9.501 -0.738 -2.947 1.00 2.32 H new ATOM 0 HG3 PRO A 45 -8.304 -1.807 -2.244 1.00 2.32 H new ATOM 0 HD2 PRO A 45 -8.220 0.884 -1.762 1.00 21.50 H new ATOM 0 HD3 PRO A 45 -6.742 -0.049 -1.883 1.00 21.50 H new ATOM 658 N SER A 46 -9.632 1.684 -4.729 1.00 41.04 N ATOM 659 CA SER A 46 -10.773 2.457 -5.133 1.00 72.25 C ATOM 660 C SER A 46 -10.838 3.623 -4.177 1.00 74.12 C ATOM 661 O SER A 46 -10.738 3.442 -2.963 1.00 32.34 O ATOM 662 CB SER A 46 -12.039 1.634 -4.961 1.00 35.51 C ATOM 663 OG SER A 46 -12.140 0.772 -6.070 1.00 63.22 O ATOM 0 H SER A 46 -9.302 1.961 -3.805 1.00 41.04 H new ATOM 0 HA SER A 46 -10.690 2.768 -6.174 1.00 72.25 H new ATOM 0 HB2 SER A 46 -12.001 1.062 -4.034 1.00 35.51 H new ATOM 0 HB3 SER A 46 -12.912 2.283 -4.900 1.00 35.51 H new ATOM 0 HG SER A 46 -11.246 0.597 -6.431 1.00 63.22 H new ATOM 777 N VAL A 56 -8.311 9.364 -5.565 1.00 1.13 N ATOM 778 CA VAL A 56 -8.094 10.800 -5.410 1.00 22.53 C ATOM 779 C VAL A 56 -6.581 11.042 -5.292 1.00 14.40 C ATOM 780 O VAL A 56 -5.825 10.132 -4.932 1.00 61.23 O ATOM 781 CB VAL A 56 -8.864 11.293 -4.160 1.00 34.51 C ATOM 782 CG1 VAL A 56 -8.999 12.817 -4.099 1.00 41.25 C ATOM 783 CG2 VAL A 56 -10.293 10.732 -4.115 1.00 31.44 C ATOM 0 HA VAL A 56 -8.468 11.359 -6.268 1.00 22.53 H new ATOM 0 HB VAL A 56 -8.269 10.938 -3.318 1.00 34.51 H new ATOM 0 HG11 VAL A 56 -9.548 13.098 -3.200 1.00 41.25 H new ATOM 0 HG12 VAL A 56 -8.008 13.269 -4.075 1.00 41.25 H new ATOM 0 HG13 VAL A 56 -9.538 13.170 -4.978 1.00 41.25 H new ATOM 0 HG21 VAL A 56 -10.801 11.101 -3.224 1.00 31.44 H new ATOM 0 HG22 VAL A 56 -10.838 11.054 -5.002 1.00 31.44 H new ATOM 0 HG23 VAL A 56 -10.256 9.643 -4.087 1.00 31.44 H new ATOM 793 N LEU A 57 -6.116 12.261 -5.569 1.00 22.44 N ATOM 794 CA LEU A 57 -4.785 12.666 -5.144 1.00 41.32 C ATOM 795 C LEU A 57 -4.780 12.587 -3.619 1.00 3.21 C ATOM 796 O LEU A 57 -5.643 13.190 -2.968 1.00 74.12 O ATOM 797 CB LEU A 57 -4.462 14.083 -5.664 1.00 74.21 C ATOM 798 CG LEU A 57 -2.967 14.482 -5.728 1.00 33.11 C ATOM 799 CD1 LEU A 57 -2.268 14.706 -4.388 1.00 71.15 C ATOM 800 CD2 LEU A 57 -2.120 13.477 -6.505 1.00 64.23 C ATOM 0 H LEU A 57 -6.637 12.974 -6.080 1.00 22.44 H new ATOM 0 HA LEU A 57 -4.010 12.017 -5.552 1.00 41.32 H new ATOM 0 HB2 LEU A 57 -4.882 14.181 -6.665 1.00 74.21 H new ATOM 0 HB3 LEU A 57 -4.978 14.803 -5.029 1.00 74.21 H new ATOM 0 HG LEU A 57 -3.026 15.443 -6.239 1.00 33.11 H new ATOM 0 HD11 LEU A 57 -1.227 14.980 -4.562 1.00 71.15 H new ATOM 0 HD12 LEU A 57 -2.769 15.508 -3.846 1.00 71.15 H new ATOM 0 HD13 LEU A 57 -2.308 13.790 -3.799 1.00 71.15 H new ATOM 0 HD21 LEU A 57 -1.082 13.808 -6.517 1.00 64.23 H new ATOM 0 HD22 LEU A 57 -2.184 12.500 -6.026 1.00 64.23 H new ATOM 0 HD23 LEU A 57 -2.489 13.404 -7.528 1.00 64.23 H new ATOM 811 N VAL A 58 -3.843 11.842 -3.040 1.00 2.12 N ATOM 812 CA VAL A 58 -3.628 11.812 -1.602 1.00 24.31 C ATOM 813 C VAL A 58 -2.180 12.215 -1.359 1.00 51.02 C ATOM 814 O VAL A 58 -1.300 11.980 -2.189 1.00 52.32 O ATOM 815 CB VAL A 58 -3.973 10.436 -0.992 1.00 73.11 C ATOM 816 CG1 VAL A 58 -4.083 10.531 0.537 1.00 24.13 C ATOM 817 CG2 VAL A 58 -5.307 9.890 -1.507 1.00 3.44 C ATOM 0 H VAL A 58 -3.208 11.238 -3.562 1.00 2.12 H new ATOM 0 HA VAL A 58 -4.297 12.511 -1.101 1.00 24.31 H new ATOM 0 HB VAL A 58 -3.165 9.767 -1.288 1.00 73.11 H new ATOM 0 HG11 VAL A 58 -4.327 9.550 0.946 1.00 24.13 H new ATOM 0 HG12 VAL A 58 -3.133 10.870 0.950 1.00 24.13 H new ATOM 0 HG13 VAL A 58 -4.868 11.240 0.802 1.00 24.13 H new ATOM 0 HG21 VAL A 58 -5.505 8.921 -1.049 1.00 3.44 H new ATOM 0 HG22 VAL A 58 -6.108 10.583 -1.249 1.00 3.44 H new ATOM 0 HG23 VAL A 58 -5.260 9.776 -2.590 1.00 3.44 H new ATOM 827 N THR A 59 -1.985 12.864 -0.224 1.00 55.31 N ATOM 828 CA THR A 59 -0.737 13.371 0.310 1.00 20.41 C ATOM 829 C THR A 59 0.190 12.256 0.785 1.00 75.55 C ATOM 830 O THR A 59 -0.101 11.077 0.574 1.00 42.13 O ATOM 831 CB THR A 59 -1.081 14.306 1.481 1.00 41.05 C ATOM 832 OG1 THR A 59 -2.461 14.394 1.808 1.00 61.54 O ATOM 833 CG2 THR A 59 -0.589 15.656 1.046 1.00 20.52 C ATOM 0 H THR A 59 -2.766 13.066 0.400 1.00 55.31 H new ATOM 0 HA THR A 59 -0.202 13.900 -0.479 1.00 20.41 H new ATOM 0 HB THR A 59 -0.618 13.916 2.387 1.00 41.05 H new ATOM 0 HG1 THR A 59 -2.580 15.008 2.563 1.00 61.54 H new ATOM 0 HG21 THR A 59 -0.795 16.388 1.827 1.00 20.52 H new ATOM 0 HG22 THR A 59 0.485 15.611 0.866 1.00 20.52 H new ATOM 0 HG23 THR A 59 -1.099 15.951 0.129 1.00 20.52 H new ATOM 841 N HIS A 60 1.294 12.606 1.469 1.00 52.11 N ATOM 842 CA HIS A 60 2.186 11.620 1.988 1.00 43.35 C ATOM 843 C HIS A 60 1.535 10.821 3.102 1.00 63.35 C ATOM 844 O HIS A 60 0.393 11.126 3.482 1.00 15.03 O ATOM 845 CB HIS A 60 3.446 12.331 2.389 1.00 32.53 C ATOM 846 CG HIS A 60 4.543 11.531 2.966 1.00 51.05 C ATOM 847 ND1 HIS A 60 5.087 10.320 2.582 1.00 3.42 N ATOM 848 CD2 HIS A 60 4.795 11.736 4.260 1.00 12.21 C ATOM 849 CE1 HIS A 60 5.664 9.807 3.682 1.00 73.43 C ATOM 850 NE2 HIS A 60 5.493 10.634 4.729 1.00 71.21 N ATOM 0 H HIS A 60 1.567 13.570 1.662 1.00 52.11 H new ATOM 0 HA HIS A 60 2.438 10.870 1.238 1.00 43.35 H new ATOM 0 HB2 HIS A 60 3.834 12.843 1.509 1.00 32.53 H new ATOM 0 HB3 HIS A 60 3.178 13.101 3.113 1.00 32.53 H new ATOM 0 HD2 HIS A 60 4.508 12.603 4.837 1.00 12.21 H new ATOM 0 HE1 HIS A 60 6.190 8.865 3.720 1.00 73.43 H new ATOM 0 HE2 HIS A 60 5.815 10.480 5.684 1.00 71.21 H new ATOM 857 N LYS A 61 2.324 9.973 3.794 1.00 34.30 N ATOM 858 CA LYS A 61 2.031 9.929 5.218 1.00 54.04 C ATOM 859 C LYS A 61 3.198 9.849 6.195 1.00 52.01 C ATOM 860 O LYS A 61 3.951 8.875 6.198 1.00 15.03 O ATOM 861 CB LYS A 61 1.129 8.713 5.586 1.00 62.52 C ATOM 862 CG LYS A 61 -0.110 8.321 4.767 1.00 20.11 C ATOM 863 CD LYS A 61 -1.409 8.581 5.521 1.00 11.04 C ATOM 864 CE LYS A 61 -1.638 10.046 5.885 1.00 75.25 C ATOM 865 NZ LYS A 61 -2.971 10.222 6.494 1.00 20.24 N ATOM 0 H LYS A 61 3.075 9.382 3.438 1.00 34.30 H new ATOM 0 HA LYS A 61 1.559 10.904 5.342 1.00 54.04 H new ATOM 0 HB2 LYS A 61 1.779 7.838 5.604 1.00 62.52 H new ATOM 0 HB3 LYS A 61 0.787 8.878 6.608 1.00 62.52 H new ATOM 0 HG2 LYS A 61 -0.117 8.882 3.832 1.00 20.11 H new ATOM 0 HG3 LYS A 61 -0.050 7.265 4.505 1.00 20.11 H new ATOM 0 HD2 LYS A 61 -2.245 8.234 4.913 1.00 11.04 H new ATOM 0 HD3 LYS A 61 -1.411 7.986 6.435 1.00 11.04 H new ATOM 0 HE2 LYS A 61 -0.867 10.380 6.579 1.00 75.25 H new ATOM 0 HE3 LYS A 61 -1.554 10.667 4.993 1.00 75.25 H new ATOM 0 HZ1 LYS A 61 -3.019 11.149 6.963 1.00 20.24 H new ATOM 0 HZ2 LYS A 61 -3.700 10.170 5.754 1.00 20.24 H new ATOM 0 HZ3 LYS A 61 -3.134 9.471 7.195 1.00 20.24 H new ATOM 875 N LYS A 62 3.189 10.780 7.161 1.00 73.25 N ATOM 876 CA LYS A 62 4.301 11.239 7.962 1.00 43.24 C ATOM 877 C LYS A 62 5.177 10.089 8.442 1.00 35.30 C ATOM 878 O LYS A 62 6.280 9.913 7.926 1.00 61.32 O ATOM 879 CB LYS A 62 3.809 12.090 9.164 1.00 51.34 C ATOM 880 CG LYS A 62 2.538 12.951 9.137 1.00 21.42 C ATOM 881 CD LYS A 62 1.135 12.358 9.269 1.00 23.21 C ATOM 882 CE LYS A 62 0.885 10.876 9.008 1.00 1.41 C ATOM 883 NZ LYS A 62 -0.422 10.494 9.580 1.00 60.13 N ATOM 0 H LYS A 62 2.326 11.262 7.411 1.00 73.25 H new ATOM 0 HA LYS A 62 4.915 11.869 7.319 1.00 43.24 H new ATOM 0 HB2 LYS A 62 3.693 11.400 10.000 1.00 51.34 H new ATOM 0 HB3 LYS A 62 4.628 12.763 9.418 1.00 51.34 H new ATOM 0 HG2 LYS A 62 2.642 13.684 9.937 1.00 21.42 H new ATOM 0 HG3 LYS A 62 2.555 13.501 8.196 1.00 21.42 H new ATOM 0 HD2 LYS A 62 0.793 12.567 10.283 1.00 23.21 H new ATOM 0 HD3 LYS A 62 0.487 12.916 8.593 1.00 23.21 H new ATOM 0 HE2 LYS A 62 0.898 10.676 7.937 1.00 1.41 H new ATOM 0 HE3 LYS A 62 1.679 10.277 9.454 1.00 1.41 H new ATOM 0 HZ1 LYS A 62 -0.529 9.460 9.541 1.00 60.13 H new ATOM 0 HZ2 LYS A 62 -0.474 10.810 10.569 1.00 60.13 H new ATOM 0 HZ3 LYS A 62 -1.185 10.942 9.033 1.00 60.13 H new ATOM 893 N ASN A 63 4.704 9.312 9.417 1.00 53.25 N ATOM 894 CA ASN A 63 5.417 8.183 9.996 1.00 61.33 C ATOM 895 C ASN A 63 4.389 7.186 10.526 1.00 54.35 C ATOM 896 O ASN A 63 4.340 6.908 11.724 1.00 61.41 O ATOM 897 CB ASN A 63 6.389 8.667 11.087 1.00 12.20 C ATOM 898 CG ASN A 63 7.633 9.300 10.474 1.00 20.51 C ATOM 899 OD1 ASN A 63 8.395 8.610 9.794 1.00 51.31 O ATOM 900 ND2 ASN A 63 7.833 10.602 10.635 1.00 15.01 N ATOM 0 H ASN A 63 3.785 9.459 9.835 1.00 53.25 H new ATOM 0 HA ASN A 63 6.026 7.683 9.243 1.00 61.33 H new ATOM 0 HB2 ASN A 63 5.888 9.391 11.729 1.00 12.20 H new ATOM 0 HB3 ASN A 63 6.678 7.827 11.719 1.00 12.20 H new ATOM 0 HD21 ASN A 63 8.632 11.054 10.191 1.00 15.01 H new ATOM 0 HD22 ASN A 63 7.187 11.151 11.203 1.00 15.01 H new ATOM 906 N VAL A 64 3.535 6.687 9.629 1.00 60.14 N ATOM 907 CA VAL A 64 2.524 5.685 9.951 1.00 31.31 C ATOM 908 C VAL A 64 3.198 4.427 10.533 1.00 1.31 C ATOM 909 O VAL A 64 4.368 4.138 10.257 1.00 40.31 O ATOM 910 CB VAL A 64 1.657 5.424 8.688 1.00 75.33 C ATOM 911 CG1 VAL A 64 2.491 5.235 7.410 1.00 62.33 C ATOM 912 CG2 VAL A 64 0.656 4.274 8.847 1.00 73.35 C ATOM 0 H VAL A 64 3.528 6.972 8.650 1.00 60.14 H new ATOM 0 HA VAL A 64 1.846 6.038 10.728 1.00 31.31 H new ATOM 0 HB VAL A 64 1.076 6.340 8.577 1.00 75.33 H new ATOM 0 HG11 VAL A 64 1.826 5.057 6.565 1.00 62.33 H new ATOM 0 HG12 VAL A 64 3.081 6.133 7.225 1.00 62.33 H new ATOM 0 HG13 VAL A 64 3.158 4.382 7.534 1.00 62.33 H new ATOM 0 HG21 VAL A 64 0.089 4.155 7.924 1.00 73.35 H new ATOM 0 HG22 VAL A 64 1.194 3.351 9.065 1.00 73.35 H new ATOM 0 HG23 VAL A 64 -0.028 4.497 9.666 1.00 73.35 H new ATOM 922 N ASN A 65 2.471 3.634 11.315 1.00 4.44 N ATOM 923 CA ASN A 65 2.793 2.257 11.640 1.00 73.41 C ATOM 924 C ASN A 65 1.520 1.418 11.708 1.00 1.11 C ATOM 925 O ASN A 65 0.475 1.893 12.139 1.00 0.20 O ATOM 926 CB ASN A 65 3.549 2.195 12.974 1.00 33.44 C ATOM 927 CG ASN A 65 4.869 1.483 12.805 1.00 44.25 C ATOM 928 OD1 ASN A 65 5.117 0.429 13.380 1.00 74.35 O ATOM 929 ND2 ASN A 65 5.750 2.029 11.986 1.00 33.42 N ATOM 0 H ASN A 65 1.607 3.951 11.755 1.00 4.44 H new ATOM 0 HA ASN A 65 3.433 1.850 10.857 1.00 73.41 H new ATOM 0 HB2 ASN A 65 3.720 3.204 13.349 1.00 33.44 H new ATOM 0 HB3 ASN A 65 2.943 1.677 13.718 1.00 33.44 H new ATOM 0 HD21 ASN A 65 6.648 1.573 11.826 1.00 33.42 H new ATOM 0 HD22 ASN A 65 5.532 2.906 11.514 1.00 33.42 H new ATOM 935 N ILE A 66 1.607 0.157 11.305 1.00 43.04 N ATOM 936 CA ILE A 66 0.578 -0.857 11.459 1.00 31.42 C ATOM 937 C ILE A 66 0.651 -1.400 12.891 1.00 43.23 C ATOM 938 O ILE A 66 1.705 -1.399 13.535 1.00 43.22 O ATOM 939 CB ILE A 66 0.772 -1.953 10.373 1.00 12.04 C ATOM 940 CG1 ILE A 66 0.527 -1.313 8.988 1.00 23.54 C ATOM 941 CG2 ILE A 66 -0.150 -3.173 10.550 1.00 73.34 C ATOM 942 CD1 ILE A 66 0.568 -2.255 7.782 1.00 43.14 C ATOM 0 H ILE A 66 2.440 -0.202 10.839 1.00 43.04 H new ATOM 0 HA ILE A 66 -0.421 -0.447 11.312 1.00 31.42 H new ATOM 0 HB ILE A 66 1.790 -2.330 10.469 1.00 12.04 H new ATOM 0 HG12 ILE A 66 -0.447 -0.824 9.006 1.00 23.54 H new ATOM 0 HG13 ILE A 66 1.273 -0.532 8.836 1.00 23.54 H new ATOM 0 HG21 ILE A 66 0.044 -3.894 9.755 1.00 73.34 H new ATOM 0 HG22 ILE A 66 0.043 -3.638 11.517 1.00 73.34 H new ATOM 0 HG23 ILE A 66 -1.191 -2.852 10.503 1.00 73.34 H new ATOM 0 HD11 ILE A 66 0.382 -1.687 6.870 1.00 43.14 H new ATOM 0 HD12 ILE A 66 1.549 -2.727 7.722 1.00 43.14 H new ATOM 0 HD13 ILE A 66 -0.198 -3.023 7.894 1.00 43.14 H new ATOM 953 N ASN A 67 -0.477 -1.914 13.369 1.00 63.32 N ATOM 954 CA ASN A 67 -0.604 -2.737 14.563 1.00 25.14 C ATOM 955 C ASN A 67 -0.792 -4.196 14.168 1.00 5.01 C ATOM 956 O ASN A 67 -0.081 -5.067 14.675 1.00 70.42 O ATOM 957 CB ASN A 67 -1.778 -2.262 15.432 1.00 2.31 C ATOM 958 CG ASN A 67 -1.398 -1.080 16.313 1.00 63.34 C ATOM 959 OD1 ASN A 67 -0.938 -1.264 17.438 1.00 61.13 O ATOM 960 ND2 ASN A 67 -1.526 0.140 15.814 1.00 22.11 N ATOM 0 H ASN A 67 -1.374 -1.759 12.909 1.00 63.32 H new ATOM 0 HA ASN A 67 0.310 -2.642 15.149 1.00 25.14 H new ATOM 0 HB2 ASN A 67 -2.613 -1.981 14.790 1.00 2.31 H new ATOM 0 HB3 ASN A 67 -2.121 -3.085 16.059 1.00 2.31 H new ATOM 0 HD21 ASN A 67 -1.240 0.949 16.365 1.00 22.11 H new ATOM 0 HD22 ASN A 67 -1.910 0.271 14.878 1.00 22.11 H new ATOM 966 N ALA A 68 -1.715 -4.493 13.250 1.00 2.14 N ATOM 967 CA ALA A 68 -2.186 -5.838 12.978 1.00 2.10 C ATOM 968 C ALA A 68 -2.795 -5.899 11.580 1.00 65.32 C ATOM 969 O ALA A 68 -2.865 -4.886 10.879 1.00 2.30 O ATOM 970 CB ALA A 68 -3.216 -6.227 14.039 1.00 54.13 C ATOM 0 H ALA A 68 -2.160 -3.784 12.667 1.00 2.14 H new ATOM 0 HA ALA A 68 -1.354 -6.541 13.017 1.00 2.10 H new ATOM 0 HB1 ALA A 68 -3.576 -7.237 13.843 1.00 54.13 H new ATOM 0 HB2 ALA A 68 -2.753 -6.192 15.025 1.00 54.13 H new ATOM 0 HB3 ALA A 68 -4.054 -5.530 14.006 1.00 54.13 H new ATOM 976 N ILE A 69 -3.195 -7.103 11.175 1.00 65.32 N ATOM 977 CA ILE A 69 -3.585 -7.452 9.823 1.00 14.30 C ATOM 978 C ILE A 69 -4.838 -8.296 9.957 1.00 73.45 C ATOM 979 O ILE A 69 -4.832 -9.292 10.689 1.00 11.34 O ATOM 980 CB ILE A 69 -2.471 -8.257 9.124 1.00 21.24 C ATOM 981 CG1 ILE A 69 -1.130 -7.489 9.142 1.00 72.31 C ATOM 982 CG2 ILE A 69 -2.864 -8.607 7.678 1.00 44.23 C ATOM 983 CD1 ILE A 69 0.031 -8.300 8.578 1.00 3.34 C ATOM 0 H ILE A 69 -3.257 -7.894 11.816 1.00 65.32 H new ATOM 0 HA ILE A 69 -3.761 -6.561 9.220 1.00 14.30 H new ATOM 0 HB ILE A 69 -2.342 -9.185 9.681 1.00 21.24 H new ATOM 0 HG12 ILE A 69 -1.237 -6.570 8.566 1.00 72.31 H new ATOM 0 HG13 ILE A 69 -0.898 -7.198 10.167 1.00 72.31 H new ATOM 0 HG21 ILE A 69 -2.060 -9.175 7.210 1.00 44.23 H new ATOM 0 HG22 ILE A 69 -3.775 -9.205 7.683 1.00 44.23 H new ATOM 0 HG23 ILE A 69 -3.036 -7.689 7.115 1.00 44.23 H new ATOM 0 HD11 ILE A 69 0.944 -7.705 8.618 1.00 3.34 H new ATOM 0 HD12 ILE A 69 0.162 -9.207 9.168 1.00 3.34 H new ATOM 0 HD13 ILE A 69 -0.182 -8.568 7.543 1.00 3.34 H new ATOM 994 N THR A 70 -5.883 -7.936 9.220 1.00 74.35 N ATOM 995 CA THR A 70 -7.159 -8.620 9.298 1.00 21.52 C ATOM 996 C THR A 70 -7.427 -9.288 7.943 1.00 21.32 C ATOM 997 O THR A 70 -7.879 -8.624 7.012 1.00 11.21 O ATOM 998 CB THR A 70 -8.256 -7.638 9.755 1.00 72.34 C ATOM 999 OG1 THR A 70 -7.789 -6.737 10.746 1.00 65.32 O ATOM 1000 CG2 THR A 70 -9.481 -8.366 10.293 1.00 10.40 C ATOM 0 H THR A 70 -5.865 -7.163 8.555 1.00 74.35 H new ATOM 0 HA THR A 70 -7.152 -9.410 10.049 1.00 21.52 H new ATOM 0 HB THR A 70 -8.535 -7.073 8.865 1.00 72.34 H new ATOM 0 HG1 THR A 70 -8.515 -6.132 11.006 1.00 65.32 H new ATOM 0 HG21 THR A 70 -10.230 -7.637 10.604 1.00 10.40 H new ATOM 0 HG22 THR A 70 -9.897 -9.004 9.513 1.00 10.40 H new ATOM 0 HG23 THR A 70 -9.194 -8.979 11.148 1.00 10.40 H new ATOM 1008 N PRO A 71 -7.089 -10.577 7.779 1.00 3.40 N ATOM 1009 CA PRO A 71 -7.311 -11.339 6.562 1.00 70.21 C ATOM 1010 C PRO A 71 -8.813 -11.498 6.355 1.00 73.21 C ATOM 1011 O PRO A 71 -9.505 -12.108 7.172 1.00 22.12 O ATOM 1012 CB PRO A 71 -6.575 -12.669 6.766 1.00 12.34 C ATOM 1013 CG PRO A 71 -6.585 -12.837 8.285 1.00 64.31 C ATOM 1014 CD PRO A 71 -6.531 -11.421 8.810 1.00 65.33 C ATOM 0 HA PRO A 71 -6.931 -10.857 5.661 1.00 70.21 H new ATOM 0 HB2 PRO A 71 -7.084 -13.493 6.265 1.00 12.34 H new ATOM 0 HB3 PRO A 71 -5.560 -12.634 6.370 1.00 12.34 H new ATOM 0 HG2 PRO A 71 -7.483 -13.354 8.623 1.00 64.31 H new ATOM 0 HG3 PRO A 71 -5.732 -13.422 8.627 1.00 64.31 H new ATOM 0 HD2 PRO A 71 -7.099 -11.329 9.736 1.00 65.33 H new ATOM 0 HD3 PRO A 71 -5.505 -11.130 9.036 1.00 65.33 H new ATOM 1019 N VAL A 72 -9.330 -10.902 5.286 1.00 42.42 N ATOM 1020 CA VAL A 72 -10.719 -11.038 4.901 1.00 33.24 C ATOM 1021 C VAL A 72 -10.822 -12.394 4.215 1.00 41.31 C ATOM 1022 O VAL A 72 -10.256 -12.609 3.136 1.00 2.12 O ATOM 1023 CB VAL A 72 -11.185 -9.849 4.048 1.00 34.11 C ATOM 1024 CG1 VAL A 72 -12.688 -9.969 3.753 1.00 72.13 C ATOM 1025 CG2 VAL A 72 -10.937 -8.537 4.809 1.00 14.31 C ATOM 0 H VAL A 72 -8.787 -10.307 4.661 1.00 42.42 H new ATOM 0 HA VAL A 72 -11.397 -11.013 5.754 1.00 33.24 H new ATOM 0 HB VAL A 72 -10.626 -9.850 3.113 1.00 34.11 H new ATOM 0 HG11 VAL A 72 -13.009 -9.121 3.148 1.00 72.13 H new ATOM 0 HG12 VAL A 72 -12.880 -10.895 3.211 1.00 72.13 H new ATOM 0 HG13 VAL A 72 -13.243 -9.976 4.691 1.00 72.13 H new ATOM 0 HG21 VAL A 72 -11.269 -7.695 4.201 1.00 14.31 H new ATOM 0 HG22 VAL A 72 -11.493 -8.549 5.746 1.00 14.31 H new ATOM 0 HG23 VAL A 72 -9.873 -8.435 5.020 1.00 14.31 H new ATOM 1035 N GLY A 73 -11.487 -13.333 4.885 1.00 24.34 N ATOM 1036 CA GLY A 73 -11.499 -14.726 4.504 1.00 51.05 C ATOM 1037 C GLY A 73 -10.081 -15.266 4.460 1.00 4.32 C ATOM 1038 O GLY A 73 -9.436 -15.482 5.485 1.00 74.15 O ATOM 0 H GLY A 73 -12.038 -13.134 5.720 1.00 24.34 H new ATOM 0 HA2 GLY A 73 -12.093 -15.300 5.214 1.00 51.05 H new ATOM 0 HA3 GLY A 73 -11.971 -14.840 3.528 1.00 51.05 H new ATOM 1042 N ASN A 74 -9.612 -15.479 3.244 1.00 64.34 N ATOM 1043 CA ASN A 74 -8.354 -16.116 2.884 1.00 30.44 C ATOM 1044 C ASN A 74 -7.736 -15.430 1.663 1.00 60.43 C ATOM 1045 O ASN A 74 -6.810 -15.976 1.055 1.00 62.34 O ATOM 1046 CB ASN A 74 -8.635 -17.590 2.557 1.00 21.53 C ATOM 1047 CG ASN A 74 -9.509 -17.726 1.315 1.00 22.53 C ATOM 1048 OD1 ASN A 74 -10.699 -17.419 1.350 1.00 45.12 O ATOM 1049 ND2 ASN A 74 -8.945 -18.128 0.191 1.00 62.30 N ATOM 0 H ASN A 74 -10.138 -15.190 2.419 1.00 64.34 H new ATOM 0 HA ASN A 74 -7.653 -16.035 3.715 1.00 30.44 H new ATOM 0 HB2 ASN A 74 -7.693 -18.116 2.401 1.00 21.53 H new ATOM 0 HB3 ASN A 74 -9.128 -18.065 3.405 1.00 21.53 H new ATOM 0 HD21 ASN A 74 -9.498 -18.187 -0.664 1.00 62.30 H new ATOM 0 HD22 ASN A 74 -7.957 -18.379 0.178 1.00 62.30 H new ATOM 1055 N TYR A 75 -8.312 -14.298 1.238 1.00 2.04 N ATOM 1056 CA TYR A 75 -8.124 -13.792 -0.124 1.00 74.14 C ATOM 1057 C TYR A 75 -7.730 -12.312 -0.216 1.00 20.22 C ATOM 1058 O TYR A 75 -7.440 -11.832 -1.313 1.00 21.32 O ATOM 1059 CB TYR A 75 -9.366 -14.122 -0.965 1.00 1.23 C ATOM 1060 CG TYR A 75 -10.617 -13.362 -0.576 1.00 4.02 C ATOM 1061 CD1 TYR A 75 -11.456 -13.841 0.446 1.00 21.53 C ATOM 1062 CD2 TYR A 75 -10.942 -12.171 -1.246 1.00 63.10 C ATOM 1063 CE1 TYR A 75 -12.594 -13.114 0.833 1.00 2.25 C ATOM 1064 CE2 TYR A 75 -12.104 -11.467 -0.903 1.00 52.10 C ATOM 1065 CZ TYR A 75 -12.920 -11.921 0.156 1.00 44.44 C ATOM 1066 OH TYR A 75 -14.016 -11.191 0.498 1.00 43.32 O ATOM 0 H TYR A 75 -8.913 -13.715 1.821 1.00 2.04 H new ATOM 0 HA TYR A 75 -7.256 -14.308 -0.535 1.00 74.14 H new ATOM 0 HB2 TYR A 75 -9.144 -13.916 -2.012 1.00 1.23 H new ATOM 0 HB3 TYR A 75 -9.568 -15.190 -0.886 1.00 1.23 H new ATOM 0 HD1 TYR A 75 -11.224 -14.775 0.937 1.00 21.53 H new ATOM 0 HD2 TYR A 75 -10.296 -11.797 -2.026 1.00 63.10 H new ATOM 0 HE1 TYR A 75 -13.215 -13.466 1.643 1.00 2.25 H new ATOM 0 HE2 TYR A 75 -12.376 -10.576 -1.449 1.00 52.10 H new ATOM 0 HH TYR A 75 -14.076 -10.401 -0.079 1.00 43.32 H new ATOM 1075 N ALA A 76 -7.696 -11.588 0.904 1.00 52.32 N ATOM 1076 CA ALA A 76 -7.214 -10.215 0.994 1.00 42.02 C ATOM 1077 C ALA A 76 -6.888 -9.908 2.453 1.00 24.11 C ATOM 1078 O ALA A 76 -7.243 -10.700 3.328 1.00 3.03 O ATOM 1079 CB ALA A 76 -8.324 -9.276 0.526 1.00 72.21 C ATOM 0 H ALA A 76 -8.014 -11.956 1.800 1.00 52.32 H new ATOM 0 HA ALA A 76 -6.326 -10.083 0.376 1.00 42.02 H new ATOM 0 HB1 ALA A 76 -7.978 -8.244 0.588 1.00 72.21 H new ATOM 0 HB2 ALA A 76 -8.587 -9.509 -0.506 1.00 72.21 H new ATOM 0 HB3 ALA A 76 -9.200 -9.403 1.162 1.00 72.21 H new ATOM 1085 N VAL A 77 -6.310 -8.740 2.742 1.00 64.22 N ATOM 1086 CA VAL A 77 -6.065 -8.280 4.110 1.00 13.44 C ATOM 1087 C VAL A 77 -6.524 -6.832 4.310 1.00 40.21 C ATOM 1088 O VAL A 77 -6.636 -6.072 3.350 1.00 74.54 O ATOM 1089 CB VAL A 77 -4.580 -8.465 4.492 1.00 55.23 C ATOM 1090 CG1 VAL A 77 -4.200 -9.944 4.636 1.00 53.42 C ATOM 1091 CG2 VAL A 77 -3.612 -7.791 3.509 1.00 13.43 C ATOM 0 H VAL A 77 -5.997 -8.082 2.028 1.00 64.22 H new ATOM 0 HA VAL A 77 -6.662 -8.897 4.782 1.00 13.44 H new ATOM 0 HB VAL A 77 -4.479 -7.971 5.458 1.00 55.23 H new ATOM 0 HG11 VAL A 77 -3.147 -10.025 4.905 1.00 53.42 H new ATOM 0 HG12 VAL A 77 -4.810 -10.402 5.415 1.00 53.42 H new ATOM 0 HG13 VAL A 77 -4.373 -10.458 3.690 1.00 53.42 H new ATOM 0 HG21 VAL A 77 -2.586 -7.959 3.836 1.00 13.43 H new ATOM 0 HG22 VAL A 77 -3.750 -8.215 2.514 1.00 13.43 H new ATOM 0 HG23 VAL A 77 -3.812 -6.720 3.478 1.00 13.43 H new ATOM 1101 N LYS A 78 -6.758 -6.480 5.574 1.00 13.02 N ATOM 1102 CA LYS A 78 -6.969 -5.159 6.163 1.00 52.22 C ATOM 1103 C LYS A 78 -5.749 -4.825 7.019 1.00 30.20 C ATOM 1104 O LYS A 78 -5.026 -5.750 7.398 1.00 41.22 O ATOM 1105 CB LYS A 78 -8.232 -5.217 7.044 1.00 43.42 C ATOM 1106 CG LYS A 78 -9.262 -4.100 6.811 1.00 23.41 C ATOM 1107 CD LYS A 78 -10.638 -4.379 7.447 1.00 64.45 C ATOM 1108 CE LYS A 78 -11.173 -5.767 7.044 1.00 43.13 C ATOM 1109 NZ LYS A 78 -12.604 -5.967 7.331 1.00 21.20 N ATOM 0 H LYS A 78 -6.810 -7.201 6.294 1.00 13.02 H new ATOM 0 HA LYS A 78 -7.099 -4.397 5.394 1.00 52.22 H new ATOM 0 HB2 LYS A 78 -8.722 -6.177 6.881 1.00 43.42 H new ATOM 0 HB3 LYS A 78 -7.924 -5.190 8.089 1.00 43.42 H new ATOM 0 HG2 LYS A 78 -8.869 -3.166 7.214 1.00 23.41 H new ATOM 0 HG3 LYS A 78 -9.391 -3.955 5.738 1.00 23.41 H new ATOM 0 HD2 LYS A 78 -10.558 -4.320 8.532 1.00 64.45 H new ATOM 0 HD3 LYS A 78 -11.346 -3.610 7.137 1.00 64.45 H new ATOM 0 HE2 LYS A 78 -11.003 -5.914 5.977 1.00 43.13 H new ATOM 0 HE3 LYS A 78 -10.598 -6.532 7.567 1.00 43.13 H new ATOM 0 HZ1 LYS A 78 -12.888 -6.922 7.032 1.00 21.20 H new ATOM 0 HZ2 LYS A 78 -12.772 -5.859 8.352 1.00 21.20 H new ATOM 0 HZ3 LYS A 78 -13.164 -5.261 6.812 1.00 21.20 H new ATOM 1119 N LEU A 79 -5.525 -3.553 7.353 1.00 50.31 N ATOM 1120 CA LEU A 79 -4.335 -3.070 8.056 1.00 4.11 C ATOM 1121 C LEU A 79 -4.727 -2.043 9.121 1.00 62.55 C ATOM 1122 O LEU A 79 -5.206 -0.957 8.782 1.00 51.12 O ATOM 1123 CB LEU A 79 -3.361 -2.400 7.071 1.00 3.02 C ATOM 1124 CG LEU A 79 -2.859 -3.268 5.905 1.00 64.11 C ATOM 1125 CD1 LEU A 79 -1.988 -2.374 5.016 1.00 21.53 C ATOM 1126 CD2 LEU A 79 -2.093 -4.520 6.368 1.00 60.55 C ATOM 0 H LEU A 79 -6.187 -2.808 7.135 1.00 50.31 H new ATOM 0 HA LEU A 79 -3.853 -3.928 8.525 1.00 4.11 H new ATOM 0 HB2 LEU A 79 -3.849 -1.519 6.655 1.00 3.02 H new ATOM 0 HB3 LEU A 79 -2.495 -2.049 7.633 1.00 3.02 H new ATOM 0 HG LEU A 79 -3.714 -3.655 5.351 1.00 64.11 H new ATOM 0 HD11 LEU A 79 -1.611 -2.955 4.174 1.00 21.53 H new ATOM 0 HD12 LEU A 79 -2.583 -1.540 4.644 1.00 21.53 H new ATOM 0 HD13 LEU A 79 -1.149 -1.990 5.597 1.00 21.53 H new ATOM 0 HD21 LEU A 79 -1.766 -5.089 5.498 1.00 60.55 H new ATOM 0 HD22 LEU A 79 -1.224 -4.219 6.952 1.00 60.55 H new ATOM 0 HD23 LEU A 79 -2.746 -5.140 6.982 1.00 60.55 H new ATOM 1137 N VAL A 80 -4.490 -2.343 10.396 1.00 41.31 N ATOM 1138 CA VAL A 80 -4.802 -1.431 11.495 1.00 52.04 C ATOM 1139 C VAL A 80 -3.694 -0.369 11.575 1.00 5.12 C ATOM 1140 O VAL A 80 -2.666 -0.621 12.208 1.00 23.43 O ATOM 1141 CB VAL A 80 -4.982 -2.227 12.808 1.00 23.32 C ATOM 1142 CG1 VAL A 80 -5.420 -1.313 13.963 1.00 70.41 C ATOM 1143 CG2 VAL A 80 -6.019 -3.352 12.668 1.00 45.12 C ATOM 0 H VAL A 80 -4.076 -3.225 10.697 1.00 41.31 H new ATOM 0 HA VAL A 80 -5.746 -0.914 11.322 1.00 52.04 H new ATOM 0 HB VAL A 80 -4.007 -2.663 13.026 1.00 23.32 H new ATOM 0 HG11 VAL A 80 -5.537 -1.905 14.871 1.00 70.41 H new ATOM 0 HG12 VAL A 80 -4.664 -0.545 14.126 1.00 70.41 H new ATOM 0 HG13 VAL A 80 -6.370 -0.840 13.713 1.00 70.41 H new ATOM 0 HG21 VAL A 80 -6.110 -3.883 13.616 1.00 45.12 H new ATOM 0 HG22 VAL A 80 -6.984 -2.925 12.396 1.00 45.12 H new ATOM 0 HG23 VAL A 80 -5.699 -4.048 11.892 1.00 45.12 H new ATOM 1153 N PHE A 81 -3.846 0.780 10.905 1.00 61.54 N ATOM 1154 CA PHE A 81 -2.875 1.873 10.984 1.00 10.44 C ATOM 1155 C PHE A 81 -3.051 2.682 12.278 1.00 24.22 C ATOM 1156 O PHE A 81 -4.171 3.003 12.682 1.00 10.14 O ATOM 1157 CB PHE A 81 -2.987 2.819 9.771 1.00 51.44 C ATOM 1158 CG PHE A 81 -2.563 2.259 8.422 1.00 62.42 C ATOM 1159 CD1 PHE A 81 -1.316 1.619 8.276 1.00 61.21 C ATOM 1160 CD2 PHE A 81 -3.364 2.464 7.281 1.00 2.20 C ATOM 1161 CE1 PHE A 81 -0.895 1.162 7.015 1.00 55.03 C ATOM 1162 CE2 PHE A 81 -2.949 1.991 6.022 1.00 34.11 C ATOM 1163 CZ PHE A 81 -1.714 1.338 5.889 1.00 4.23 C ATOM 0 H PHE A 81 -4.641 0.976 10.297 1.00 61.54 H new ATOM 0 HA PHE A 81 -1.886 1.415 10.982 1.00 10.44 H new ATOM 0 HB2 PHE A 81 -4.023 3.148 9.692 1.00 51.44 H new ATOM 0 HB3 PHE A 81 -2.386 3.705 9.975 1.00 51.44 H new ATOM 0 HD1 PHE A 81 -0.680 1.479 9.138 1.00 61.21 H new ATOM 0 HD2 PHE A 81 -4.304 2.988 7.373 1.00 2.20 H new ATOM 0 HE1 PHE A 81 0.063 0.673 6.912 1.00 55.03 H new ATOM 0 HE2 PHE A 81 -3.581 2.131 5.158 1.00 34.11 H new ATOM 0 HZ PHE A 81 -1.395 0.972 4.924 1.00 4.23 H new ATOM 1172 N ASP A 82 -1.932 3.111 12.867 1.00 61.25 N ATOM 1173 CA ASP A 82 -1.847 4.101 13.946 1.00 25.50 C ATOM 1174 C ASP A 82 -2.359 5.475 13.506 1.00 5.02 C ATOM 1175 O ASP A 82 -2.674 6.314 14.344 1.00 50.44 O ATOM 1176 CB ASP A 82 -0.408 4.218 14.486 1.00 42.01 C ATOM 1177 CG ASP A 82 0.501 5.196 13.740 1.00 3.24 C ATOM 1178 OD1 ASP A 82 0.491 5.184 12.493 1.00 2.03 O ATOM 1179 OD2 ASP A 82 1.270 5.914 14.435 1.00 14.14 O ATOM 0 H ASP A 82 -1.015 2.761 12.591 1.00 61.25 H new ATOM 0 HA ASP A 82 -2.493 3.745 14.749 1.00 25.50 H new ATOM 0 HB2 ASP A 82 -0.455 4.520 15.532 1.00 42.01 H new ATOM 0 HB3 ASP A 82 0.052 3.230 14.460 1.00 42.01 H new ATOM 1183 N ASP A 83 -2.487 5.684 12.195 1.00 12.24 N ATOM 1184 CA ASP A 83 -3.014 6.878 11.537 1.00 24.50 C ATOM 1185 C ASP A 83 -4.484 7.132 11.913 1.00 52.05 C ATOM 1186 O ASP A 83 -4.991 8.242 11.738 1.00 2.12 O ATOM 1187 CB ASP A 83 -2.894 6.658 10.016 1.00 2.20 C ATOM 1188 CG ASP A 83 -2.444 7.894 9.247 1.00 51.45 C ATOM 1189 OD1 ASP A 83 -3.297 8.680 8.783 1.00 74.22 O ATOM 1190 OD2 ASP A 83 -1.234 8.021 8.960 1.00 32.50 O ATOM 0 H ASP A 83 -2.205 4.974 11.519 1.00 12.24 H new ATOM 0 HA ASP A 83 -2.446 7.751 11.858 1.00 24.50 H new ATOM 0 HB2 ASP A 83 -2.187 5.849 9.830 1.00 2.20 H new ATOM 0 HB3 ASP A 83 -3.859 6.333 9.629 1.00 2.20 H new ATOM 1194 N GLY A 84 -5.190 6.103 12.401 1.00 41.25 N ATOM 1195 CA GLY A 84 -6.607 6.128 12.762 1.00 42.44 C ATOM 1196 C GLY A 84 -7.514 5.521 11.695 1.00 32.42 C ATOM 1197 O GLY A 84 -8.719 5.395 11.927 1.00 32.23 O ATOM 0 H GLY A 84 -4.765 5.189 12.561 1.00 41.25 H new ATOM 0 HA2 GLY A 84 -6.746 5.586 13.698 1.00 42.44 H new ATOM 0 HA3 GLY A 84 -6.910 7.159 12.943 1.00 42.44 H new ATOM 1201 N HIS A 85 -6.964 5.109 10.549 1.00 22.54 N ATOM 1202 CA HIS A 85 -7.722 4.570 9.428 1.00 34.14 C ATOM 1203 C HIS A 85 -7.319 3.119 9.187 1.00 53.42 C ATOM 1204 O HIS A 85 -6.592 2.766 8.260 1.00 54.24 O ATOM 1205 CB HIS A 85 -7.655 5.500 8.205 1.00 21.11 C ATOM 1206 CG HIS A 85 -9.024 6.042 7.873 1.00 74.34 C ATOM 1207 ND1 HIS A 85 -10.131 5.300 7.513 1.00 10.00 N ATOM 1208 CD2 HIS A 85 -9.437 7.332 8.051 1.00 43.41 C ATOM 1209 CE1 HIS A 85 -11.190 6.123 7.495 1.00 34.33 C ATOM 1210 NE2 HIS A 85 -10.814 7.375 7.806 1.00 1.42 N ATOM 0 H HIS A 85 -5.959 5.144 10.376 1.00 22.54 H new ATOM 0 HA HIS A 85 -8.786 4.540 9.664 1.00 34.14 H new ATOM 0 HB2 HIS A 85 -6.971 6.324 8.405 1.00 21.11 H new ATOM 0 HB3 HIS A 85 -7.256 4.956 7.349 1.00 21.11 H new ATOM 0 HD1 HIS A 85 -10.142 4.303 7.299 1.00 10.00 H new ATOM 0 HD2 HIS A 85 -8.813 8.168 8.330 1.00 43.41 H new ATOM 0 HE1 HIS A 85 -12.201 5.822 7.263 1.00 34.33 H new ATOM 1217 N ASP A 86 -7.848 2.272 10.055 1.00 61.55 N ATOM 1218 CA ASP A 86 -7.843 0.817 10.075 1.00 71.44 C ATOM 1219 C ASP A 86 -8.654 0.173 8.939 1.00 23.22 C ATOM 1220 O ASP A 86 -8.918 -1.029 8.983 1.00 4.14 O ATOM 1221 CB ASP A 86 -8.403 0.377 11.441 1.00 54.45 C ATOM 1222 CG ASP A 86 -9.890 0.728 11.618 1.00 63.15 C ATOM 1223 OD1 ASP A 86 -10.302 1.872 11.289 1.00 12.20 O ATOM 1224 OD2 ASP A 86 -10.651 -0.131 12.114 1.00 33.31 O ATOM 0 H ASP A 86 -8.354 2.634 10.863 1.00 61.55 H new ATOM 0 HA ASP A 86 -6.818 0.479 9.922 1.00 71.44 H new ATOM 0 HB2 ASP A 86 -8.273 -0.700 11.552 1.00 54.45 H new ATOM 0 HB3 ASP A 86 -7.826 0.851 12.235 1.00 54.45 H new ATOM 1228 N THR A 87 -9.067 0.938 7.926 1.00 14.40 N ATOM 1229 CA THR A 87 -10.038 0.514 6.929 1.00 31.41 C ATOM 1230 C THR A 87 -9.507 0.679 5.502 1.00 25.20 C ATOM 1231 O THR A 87 -9.601 1.740 4.879 1.00 61.14 O ATOM 1232 CB THR A 87 -11.369 1.234 7.189 1.00 2.31 C ATOM 1233 OG1 THR A 87 -11.198 2.623 7.437 1.00 50.03 O ATOM 1234 CG2 THR A 87 -12.061 0.634 8.415 1.00 10.14 C ATOM 0 H THR A 87 -8.726 1.888 7.778 1.00 14.40 H new ATOM 0 HA THR A 87 -10.220 -0.557 7.024 1.00 31.41 H new ATOM 0 HB THR A 87 -11.967 1.104 6.287 1.00 2.31 H new ATOM 0 HG1 THR A 87 -11.698 3.138 6.770 1.00 50.03 H new ATOM 0 HG21 THR A 87 -13.004 1.152 8.590 1.00 10.14 H new ATOM 0 HG22 THR A 87 -12.255 -0.424 8.242 1.00 10.14 H new ATOM 0 HG23 THR A 87 -11.417 0.747 9.288 1.00 10.14 H new ATOM 1242 N GLY A 88 -8.936 -0.389 4.959 1.00 73.11 N ATOM 1243 CA GLY A 88 -8.373 -0.465 3.629 1.00 71.43 C ATOM 1244 C GLY A 88 -8.261 -1.934 3.293 1.00 20.31 C ATOM 1245 O GLY A 88 -7.991 -2.725 4.191 1.00 23.33 O ATOM 0 H GLY A 88 -8.852 -1.269 5.467 1.00 73.11 H new ATOM 0 HA2 GLY A 88 -9.009 0.050 2.909 1.00 71.43 H new ATOM 0 HA3 GLY A 88 -7.396 0.017 3.593 1.00 71.43 H new ATOM 1249 N LEU A 89 -8.484 -2.317 2.042 1.00 24.31 N ATOM 1250 CA LEU A 89 -8.575 -3.715 1.657 1.00 2.43 C ATOM 1251 C LEU A 89 -7.599 -3.974 0.536 1.00 2.02 C ATOM 1252 O LEU A 89 -7.572 -3.242 -0.451 1.00 41.03 O ATOM 1253 CB LEU A 89 -10.016 -4.046 1.231 1.00 41.34 C ATOM 1254 CG LEU A 89 -10.636 -5.195 2.023 1.00 1.13 C ATOM 1255 CD1 LEU A 89 -9.918 -6.510 1.746 1.00 34.22 C ATOM 1256 CD2 LEU A 89 -10.656 -4.914 3.527 1.00 62.55 C ATOM 0 H LEU A 89 -8.607 -1.665 1.267 1.00 24.31 H new ATOM 0 HA LEU A 89 -8.321 -4.358 2.500 1.00 2.43 H new ATOM 0 HB2 LEU A 89 -10.635 -3.157 1.351 1.00 41.34 H new ATOM 0 HB3 LEU A 89 -10.024 -4.300 0.171 1.00 41.34 H new ATOM 0 HG LEU A 89 -11.669 -5.282 1.685 1.00 1.13 H new ATOM 0 HD11 LEU A 89 -10.383 -7.308 2.325 1.00 34.22 H new ATOM 0 HD12 LEU A 89 -9.986 -6.745 0.684 1.00 34.22 H new ATOM 0 HD13 LEU A 89 -8.870 -6.419 2.031 1.00 34.22 H new ATOM 0 HD21 LEU A 89 -11.106 -5.759 4.049 1.00 62.55 H new ATOM 0 HD22 LEU A 89 -9.636 -4.768 3.884 1.00 62.55 H new ATOM 0 HD23 LEU A 89 -11.240 -4.015 3.721 1.00 62.55 H new ATOM 1267 N TYR A 90 -6.817 -5.035 0.676 1.00 1.03 N ATOM 1268 CA TYR A 90 -5.641 -5.262 -0.141 1.00 22.41 C ATOM 1269 C TYR A 90 -5.696 -6.681 -0.686 1.00 52.11 C ATOM 1270 O TYR A 90 -5.277 -7.641 -0.032 1.00 15.03 O ATOM 1271 CB TYR A 90 -4.383 -4.942 0.674 1.00 15.21 C ATOM 1272 CG TYR A 90 -4.379 -3.525 1.220 1.00 41.44 C ATOM 1273 CD1 TYR A 90 -4.104 -2.442 0.365 1.00 60.53 C ATOM 1274 CD2 TYR A 90 -4.743 -3.279 2.558 1.00 24.52 C ATOM 1275 CE1 TYR A 90 -4.176 -1.124 0.842 1.00 63.35 C ATOM 1276 CE2 TYR A 90 -4.833 -1.963 3.042 1.00 20.20 C ATOM 1277 CZ TYR A 90 -4.540 -0.878 2.186 1.00 64.24 C ATOM 1278 OH TYR A 90 -4.653 0.397 2.652 1.00 72.13 O ATOM 0 H TYR A 90 -6.985 -5.767 1.367 1.00 1.03 H new ATOM 0 HA TYR A 90 -5.610 -4.597 -1.004 1.00 22.41 H new ATOM 0 HB2 TYR A 90 -4.304 -5.646 1.503 1.00 15.21 H new ATOM 0 HB3 TYR A 90 -3.503 -5.087 0.047 1.00 15.21 H new ATOM 0 HD1 TYR A 90 -3.836 -2.626 -0.665 1.00 60.53 H new ATOM 0 HD2 TYR A 90 -4.955 -4.108 3.217 1.00 24.52 H new ATOM 0 HE1 TYR A 90 -3.953 -0.298 0.183 1.00 63.35 H new ATOM 0 HE2 TYR A 90 -5.125 -1.781 4.066 1.00 20.20 H new ATOM 0 HH TYR A 90 -4.171 1.007 2.056 1.00 72.13 H new ATOM 1287 N SER A 91 -6.290 -6.819 -1.870 1.00 12.00 N ATOM 1288 CA SER A 91 -6.300 -8.049 -2.637 1.00 42.22 C ATOM 1289 C SER A 91 -4.885 -8.380 -3.112 1.00 35.20 C ATOM 1290 O SER A 91 -4.058 -7.493 -3.336 1.00 0.22 O ATOM 1291 CB SER A 91 -7.233 -7.872 -3.833 1.00 22.41 C ATOM 1292 OG SER A 91 -8.533 -7.485 -3.431 1.00 11.43 O ATOM 0 H SER A 91 -6.788 -6.056 -2.328 1.00 12.00 H new ATOM 0 HA SER A 91 -6.654 -8.872 -2.016 1.00 42.22 H new ATOM 0 HB2 SER A 91 -6.822 -7.120 -4.507 1.00 22.41 H new ATOM 0 HB3 SER A 91 -7.288 -8.806 -4.393 1.00 22.41 H new ATOM 0 HG SER A 91 -9.102 -7.379 -4.222 1.00 11.43 H new ATOM 1297 N TRP A 92 -4.622 -9.663 -3.349 1.00 64.15 N ATOM 1298 CA TRP A 92 -3.315 -10.134 -3.791 1.00 1.40 C ATOM 1299 C TRP A 92 -2.912 -9.505 -5.129 1.00 75.22 C ATOM 1300 O TRP A 92 -1.785 -9.033 -5.276 1.00 40.12 O ATOM 1301 CB TRP A 92 -3.351 -11.659 -3.883 1.00 63.21 C ATOM 1302 CG TRP A 92 -3.918 -12.401 -2.703 1.00 51.15 C ATOM 1303 CD1 TRP A 92 -4.622 -13.547 -2.806 1.00 21.51 C ATOM 1304 CD2 TRP A 92 -3.870 -12.096 -1.269 1.00 52.41 C ATOM 1305 NE1 TRP A 92 -4.945 -14.010 -1.548 1.00 24.13 N ATOM 1306 CE2 TRP A 92 -4.473 -13.176 -0.561 1.00 72.31 C ATOM 1307 CE3 TRP A 92 -3.382 -11.028 -0.484 1.00 61.55 C ATOM 1308 CZ2 TRP A 92 -4.517 -13.231 0.840 1.00 64.55 C ATOM 1309 CZ3 TRP A 92 -3.429 -11.064 0.921 1.00 51.02 C ATOM 1310 CH2 TRP A 92 -3.967 -12.181 1.583 1.00 11.01 C ATOM 0 H TRP A 92 -5.312 -10.406 -3.239 1.00 64.15 H new ATOM 0 HA TRP A 92 -2.560 -9.830 -3.066 1.00 1.40 H new ATOM 0 HB2 TRP A 92 -3.931 -11.932 -4.765 1.00 63.21 H new ATOM 0 HB3 TRP A 92 -2.333 -12.013 -4.048 1.00 63.21 H new ATOM 0 HD1 TRP A 92 -4.892 -14.029 -3.734 1.00 21.51 H new ATOM 0 HE1 TRP A 92 -5.470 -14.866 -1.371 1.00 24.13 H new ATOM 0 HE3 TRP A 92 -2.962 -10.162 -0.975 1.00 61.55 H new ATOM 0 HZ2 TRP A 92 -4.970 -14.074 1.339 1.00 64.55 H new ATOM 0 HZ3 TRP A 92 -3.050 -10.230 1.493 1.00 51.02 H new ATOM 0 HH2 TRP A 92 -3.956 -12.229 2.662 1.00 11.01 H new ATOM 1320 N LYS A 93 -3.848 -9.455 -6.089 1.00 42.03 N ATOM 1321 CA LYS A 93 -3.623 -8.853 -7.405 1.00 44.11 C ATOM 1322 C LYS A 93 -3.237 -7.384 -7.264 1.00 63.14 C ATOM 1323 O LYS A 93 -2.321 -6.930 -7.952 1.00 12.01 O ATOM 1324 CB LYS A 93 -4.851 -9.040 -8.306 1.00 24.33 C ATOM 1325 CG LYS A 93 -4.458 -8.783 -9.773 1.00 23.24 C ATOM 1326 CD LYS A 93 -5.638 -8.904 -10.736 1.00 21.24 C ATOM 1327 CE LYS A 93 -6.000 -10.354 -11.076 1.00 63.43 C ATOM 1328 NZ LYS A 93 -6.868 -10.450 -12.274 1.00 4.11 N ATOM 0 H LYS A 93 -4.787 -9.835 -5.970 1.00 42.03 H new ATOM 0 HA LYS A 93 -2.789 -9.365 -7.886 1.00 44.11 H new ATOM 0 HB2 LYS A 93 -5.245 -10.050 -8.196 1.00 24.33 H new ATOM 0 HB3 LYS A 93 -5.643 -8.354 -8.005 1.00 24.33 H new ATOM 0 HG2 LYS A 93 -4.027 -7.786 -9.859 1.00 23.24 H new ATOM 0 HG3 LYS A 93 -3.683 -9.492 -10.065 1.00 23.24 H new ATOM 0 HD2 LYS A 93 -6.507 -8.414 -10.297 1.00 21.24 H new ATOM 0 HD3 LYS A 93 -5.402 -8.371 -11.657 1.00 21.24 H new ATOM 0 HE2 LYS A 93 -5.087 -10.924 -11.245 1.00 63.43 H new ATOM 0 HE3 LYS A 93 -6.507 -10.809 -10.225 1.00 63.43 H new ATOM 0 HZ1 LYS A 93 -7.715 -11.008 -12.045 1.00 4.11 H new ATOM 0 HZ2 LYS A 93 -7.153 -9.496 -12.574 1.00 4.11 H new ATOM 0 HZ3 LYS A 93 -6.346 -10.913 -13.045 1.00 4.11 H new ATOM 1338 N VAL A 94 -3.927 -6.663 -6.377 1.00 52.05 N ATOM 1339 CA VAL A 94 -3.693 -5.243 -6.153 1.00 31.31 C ATOM 1340 C VAL A 94 -2.245 -5.049 -5.698 1.00 14.10 C ATOM 1341 O VAL A 94 -1.498 -4.323 -6.350 1.00 55.14 O ATOM 1342 CB VAL A 94 -4.753 -4.688 -5.174 1.00 34.40 C ATOM 1343 CG1 VAL A 94 -4.425 -3.313 -4.579 1.00 74.21 C ATOM 1344 CG2 VAL A 94 -6.116 -4.617 -5.882 1.00 55.24 C ATOM 0 H VAL A 94 -4.666 -7.054 -5.793 1.00 52.05 H new ATOM 0 HA VAL A 94 -3.811 -4.666 -7.070 1.00 31.31 H new ATOM 0 HB VAL A 94 -4.769 -5.383 -4.334 1.00 34.40 H new ATOM 0 HG11 VAL A 94 -5.226 -3.008 -3.906 1.00 74.21 H new ATOM 0 HG12 VAL A 94 -3.488 -3.370 -4.026 1.00 74.21 H new ATOM 0 HG13 VAL A 94 -4.328 -2.583 -5.382 1.00 74.21 H new ATOM 0 HG21 VAL A 94 -6.864 -4.226 -5.193 1.00 55.24 H new ATOM 0 HG22 VAL A 94 -6.042 -3.960 -6.748 1.00 55.24 H new ATOM 0 HG23 VAL A 94 -6.409 -5.615 -6.208 1.00 55.24 H new ATOM 1354 N LEU A 95 -1.839 -5.708 -4.608 1.00 32.10 N ATOM 1355 CA LEU A 95 -0.539 -5.515 -3.973 1.00 62.34 C ATOM 1356 C LEU A 95 0.614 -5.768 -4.938 1.00 61.51 C ATOM 1357 O LEU A 95 1.601 -5.038 -4.921 1.00 13.01 O ATOM 1358 CB LEU A 95 -0.422 -6.482 -2.788 1.00 74.12 C ATOM 1359 CG LEU A 95 -1.330 -6.098 -1.607 1.00 61.33 C ATOM 1360 CD1 LEU A 95 -1.603 -7.356 -0.777 1.00 14.03 C ATOM 1361 CD2 LEU A 95 -0.693 -4.983 -0.768 1.00 14.13 C ATOM 0 H LEU A 95 -2.418 -6.403 -4.136 1.00 32.10 H new ATOM 0 HA LEU A 95 -0.474 -4.478 -3.643 1.00 62.34 H new ATOM 0 HB2 LEU A 95 -0.675 -7.489 -3.121 1.00 74.12 H new ATOM 0 HB3 LEU A 95 0.614 -6.509 -2.449 1.00 74.12 H new ATOM 0 HG LEU A 95 -2.277 -5.704 -1.975 1.00 61.33 H new ATOM 0 HD11 LEU A 95 -2.246 -7.103 0.066 1.00 14.03 H new ATOM 0 HD12 LEU A 95 -2.097 -8.102 -1.399 1.00 14.03 H new ATOM 0 HD13 LEU A 95 -0.660 -7.759 -0.406 1.00 14.03 H new ATOM 0 HD21 LEU A 95 -1.354 -4.729 0.061 1.00 14.13 H new ATOM 0 HD22 LEU A 95 0.265 -5.324 -0.377 1.00 14.13 H new ATOM 0 HD23 LEU A 95 -0.537 -4.102 -1.391 1.00 14.13 H new ATOM 1372 N TYR A 96 0.501 -6.817 -5.754 1.00 53.03 N ATOM 1373 CA TYR A 96 1.527 -7.196 -6.714 1.00 23.20 C ATOM 1374 C TYR A 96 1.709 -6.075 -7.747 1.00 64.34 C ATOM 1375 O TYR A 96 2.837 -5.691 -8.057 1.00 41.33 O ATOM 1376 CB TYR A 96 1.131 -8.562 -7.310 1.00 23.40 C ATOM 1377 CG TYR A 96 2.238 -9.459 -7.848 1.00 4.13 C ATOM 1378 CD1 TYR A 96 3.411 -8.926 -8.414 1.00 55.15 C ATOM 1379 CD2 TYR A 96 2.077 -10.862 -7.802 1.00 14.22 C ATOM 1380 CE1 TYR A 96 4.388 -9.767 -8.959 1.00 20.44 C ATOM 1381 CE2 TYR A 96 3.062 -11.720 -8.328 1.00 33.31 C ATOM 1382 CZ TYR A 96 4.206 -11.164 -8.945 1.00 1.04 C ATOM 1383 OH TYR A 96 5.123 -11.960 -9.553 1.00 1.22 O ATOM 0 H TYR A 96 -0.314 -7.430 -5.764 1.00 53.03 H new ATOM 0 HA TYR A 96 2.506 -7.318 -6.250 1.00 23.20 H new ATOM 0 HB2 TYR A 96 0.595 -9.118 -6.541 1.00 23.40 H new ATOM 0 HB3 TYR A 96 0.426 -8.380 -8.121 1.00 23.40 H new ATOM 0 HD1 TYR A 96 3.559 -7.856 -8.428 1.00 55.15 H new ATOM 0 HD2 TYR A 96 1.187 -11.282 -7.358 1.00 14.22 H new ATOM 0 HE1 TYR A 96 5.283 -9.344 -9.391 1.00 20.44 H new ATOM 0 HE2 TYR A 96 2.945 -12.792 -8.261 1.00 33.31 H new ATOM 0 HH TYR A 96 4.857 -12.898 -9.456 1.00 1.22 H new ATOM 1392 N ASP A 97 0.615 -5.491 -8.240 1.00 74.15 N ATOM 1393 CA ASP A 97 0.699 -4.408 -9.220 1.00 62.32 C ATOM 1394 C ASP A 97 1.424 -3.195 -8.653 1.00 12.01 C ATOM 1395 O ASP A 97 2.279 -2.614 -9.321 1.00 53.13 O ATOM 1396 CB ASP A 97 -0.700 -3.990 -9.667 1.00 20.24 C ATOM 1397 CG ASP A 97 -0.654 -3.127 -10.924 1.00 74.13 C ATOM 1398 OD1 ASP A 97 0.044 -3.500 -11.895 1.00 35.24 O ATOM 1399 OD2 ASP A 97 -1.461 -2.178 -11.015 1.00 54.45 O ATOM 0 H ASP A 97 -0.336 -5.749 -7.977 1.00 74.15 H new ATOM 0 HA ASP A 97 1.265 -4.784 -10.073 1.00 62.32 H new ATOM 0 HB2 ASP A 97 -1.302 -4.878 -9.857 1.00 20.24 H new ATOM 0 HB3 ASP A 97 -1.189 -3.439 -8.864 1.00 20.24 H new ATOM 1403 N LEU A 98 1.113 -2.843 -7.402 1.00 2.12 N ATOM 1404 CA LEU A 98 1.757 -1.749 -6.692 1.00 75.22 C ATOM 1405 C LEU A 98 3.252 -2.036 -6.617 1.00 11.02 C ATOM 1406 O LEU A 98 4.039 -1.234 -7.103 1.00 75.51 O ATOM 1407 CB LEU A 98 1.131 -1.539 -5.300 1.00 51.21 C ATOM 1408 CG LEU A 98 -0.387 -1.264 -5.328 1.00 34.41 C ATOM 1409 CD1 LEU A 98 -0.966 -1.240 -3.907 1.00 51.44 C ATOM 1410 CD2 LEU A 98 -0.741 0.043 -6.030 1.00 32.54 C ATOM 0 H LEU A 98 0.398 -3.319 -6.853 1.00 2.12 H new ATOM 0 HA LEU A 98 1.604 -0.815 -7.232 1.00 75.22 H new ATOM 0 HB2 LEU A 98 1.318 -2.424 -4.692 1.00 51.21 H new ATOM 0 HB3 LEU A 98 1.632 -0.704 -4.810 1.00 51.21 H new ATOM 0 HG LEU A 98 -0.828 -2.082 -5.898 1.00 34.41 H new ATOM 0 HD11 LEU A 98 -2.037 -1.044 -3.954 1.00 51.44 H new ATOM 0 HD12 LEU A 98 -0.794 -2.204 -3.428 1.00 51.44 H new ATOM 0 HD13 LEU A 98 -0.479 -0.455 -3.329 1.00 51.44 H new ATOM 0 HD21 LEU A 98 -1.822 0.181 -6.018 1.00 32.54 H new ATOM 0 HD22 LEU A 98 -0.263 0.875 -5.513 1.00 32.54 H new ATOM 0 HD23 LEU A 98 -0.391 0.008 -7.062 1.00 32.54 H new ATOM 1421 N ALA A 99 3.646 -3.198 -6.084 1.00 64.21 N ATOM 1422 CA ALA A 99 5.046 -3.570 -5.890 1.00 52.35 C ATOM 1423 C ALA A 99 5.870 -3.514 -7.180 1.00 14.20 C ATOM 1424 O ALA A 99 7.033 -3.107 -7.142 1.00 4.22 O ATOM 1425 CB ALA A 99 5.125 -4.965 -5.273 1.00 31.23 C ATOM 0 H ALA A 99 2.990 -3.914 -5.772 1.00 64.21 H new ATOM 0 HA ALA A 99 5.482 -2.834 -5.214 1.00 52.35 H new ATOM 0 HB1 ALA A 99 6.170 -5.241 -5.129 1.00 31.23 H new ATOM 0 HB2 ALA A 99 4.613 -4.967 -4.311 1.00 31.23 H new ATOM 0 HB3 ALA A 99 4.648 -5.685 -5.938 1.00 31.23 H new ATOM 1431 N SER A 100 5.290 -3.901 -8.316 1.00 72.33 N ATOM 1432 CA SER A 100 5.965 -3.878 -9.609 1.00 4.21 C ATOM 1433 C SER A 100 6.294 -2.433 -10.043 1.00 51.14 C ATOM 1434 O SER A 100 7.320 -2.189 -10.691 1.00 12.14 O ATOM 1435 CB SER A 100 5.061 -4.623 -10.604 1.00 74.33 C ATOM 1436 OG SER A 100 5.786 -5.201 -11.673 1.00 13.03 O ATOM 0 H SER A 100 4.330 -4.242 -8.363 1.00 72.33 H new ATOM 0 HA SER A 100 6.931 -4.380 -9.560 1.00 4.21 H new ATOM 0 HB2 SER A 100 4.514 -5.405 -10.077 1.00 74.33 H new ATOM 0 HB3 SER A 100 4.321 -3.931 -11.005 1.00 74.33 H new ATOM 0 HG SER A 100 5.167 -5.664 -12.276 1.00 13.03 H new ATOM 1441 N ASN A 101 5.465 -1.460 -9.646 1.00 54.41 N ATOM 1442 CA ASN A 101 5.450 -0.090 -10.172 1.00 33.50 C ATOM 1443 C ASN A 101 5.672 0.953 -9.067 1.00 11.20 C ATOM 1444 O ASN A 101 5.348 2.124 -9.268 1.00 44.14 O ATOM 1445 CB ASN A 101 4.101 0.184 -10.869 1.00 61.51 C ATOM 1446 CG ASN A 101 3.830 -0.717 -12.060 1.00 44.45 C ATOM 1447 OD1 ASN A 101 4.152 -0.386 -13.196 1.00 24.53 O ATOM 1448 ND2 ASN A 101 3.184 -1.845 -11.853 1.00 24.52 N ATOM 0 H ASN A 101 4.761 -1.611 -8.924 1.00 54.41 H new ATOM 0 HA ASN A 101 6.270 -0.003 -10.885 1.00 33.50 H new ATOM 0 HB2 ASN A 101 3.297 0.062 -10.143 1.00 61.51 H new ATOM 0 HB3 ASN A 101 4.078 1.223 -11.199 1.00 61.51 H new ATOM 0 HD21 ASN A 101 2.948 -2.450 -12.640 1.00 24.52 H new ATOM 0 HD22 ASN A 101 2.919 -2.115 -10.906 1.00 24.52 H new ATOM 1454 N GLN A 102 6.178 0.567 -7.888 1.00 20.42 N ATOM 1455 CA GLN A 102 5.934 1.322 -6.651 1.00 62.25 C ATOM 1456 C GLN A 102 6.665 2.661 -6.668 1.00 43.25 C ATOM 1457 O GLN A 102 6.276 3.616 -5.998 1.00 11.23 O ATOM 1458 CB GLN A 102 6.280 0.485 -5.397 1.00 73.14 C ATOM 1459 CG GLN A 102 7.690 -0.125 -5.301 1.00 40.11 C ATOM 1460 CD GLN A 102 7.879 -0.857 -3.963 1.00 24.34 C ATOM 1461 OE1 GLN A 102 7.962 -0.252 -2.892 1.00 15.02 O ATOM 1462 NE2 GLN A 102 7.922 -2.180 -3.952 1.00 31.23 N ATOM 0 H GLN A 102 6.758 -0.263 -7.765 1.00 20.42 H new ATOM 0 HA GLN A 102 4.867 1.540 -6.599 1.00 62.25 H new ATOM 0 HB2 GLN A 102 6.129 1.117 -4.522 1.00 73.14 H new ATOM 0 HB3 GLN A 102 5.559 -0.329 -5.330 1.00 73.14 H new ATOM 0 HG2 GLN A 102 7.847 -0.820 -6.126 1.00 40.11 H new ATOM 0 HG3 GLN A 102 8.439 0.661 -5.399 1.00 40.11 H new ATOM 0 HE21 GLN A 102 7.855 -2.700 -4.827 1.00 31.23 H new ATOM 0 HE22 GLN A 102 8.022 -2.680 -3.068 1.00 31.23 H new ATOM 1469 N VAL A 103 7.720 2.711 -7.468 1.00 55.33 N ATOM 1470 CA VAL A 103 8.596 3.828 -7.688 1.00 14.20 C ATOM 1471 C VAL A 103 7.921 4.834 -8.621 1.00 52.43 C ATOM 1472 O VAL A 103 7.798 6.010 -8.282 1.00 40.03 O ATOM 1473 CB VAL A 103 9.883 3.243 -8.297 1.00 14.40 C ATOM 1474 CG1 VAL A 103 10.917 4.314 -8.617 1.00 54.11 C ATOM 1475 CG2 VAL A 103 10.498 2.179 -7.373 1.00 34.53 C ATOM 0 H VAL A 103 7.999 1.900 -8.020 1.00 55.33 H new ATOM 0 HA VAL A 103 8.828 4.367 -6.769 1.00 14.20 H new ATOM 0 HB VAL A 103 9.592 2.775 -9.238 1.00 14.40 H new ATOM 0 HG11 VAL A 103 11.804 3.847 -9.044 1.00 54.11 H new ATOM 0 HG12 VAL A 103 10.499 5.021 -9.333 1.00 54.11 H new ATOM 0 HG13 VAL A 103 11.189 4.842 -7.703 1.00 54.11 H new ATOM 0 HG21 VAL A 103 11.406 1.783 -7.828 1.00 34.53 H new ATOM 0 HG22 VAL A 103 10.741 2.629 -6.411 1.00 34.53 H new ATOM 0 HG23 VAL A 103 9.784 1.369 -7.224 1.00 34.53 H new ATOM 1485 N ASP A 104 7.532 4.381 -9.817 1.00 33.32 N ATOM 1486 CA ASP A 104 7.053 5.249 -10.889 1.00 51.14 C ATOM 1487 C ASP A 104 5.707 5.865 -10.520 1.00 74.15 C ATOM 1488 O ASP A 104 5.408 7.005 -10.878 1.00 35.34 O ATOM 1489 CB ASP A 104 6.949 4.448 -12.197 1.00 3.00 C ATOM 1490 CG ASP A 104 6.357 5.267 -13.348 1.00 64.44 C ATOM 1491 OD1 ASP A 104 6.841 6.390 -13.595 1.00 2.02 O ATOM 1492 OD2 ASP A 104 5.377 4.801 -13.977 1.00 0.43 O ATOM 0 H ASP A 104 7.542 3.392 -10.067 1.00 33.32 H new ATOM 0 HA ASP A 104 7.764 6.063 -11.032 1.00 51.14 H new ATOM 0 HB2 ASP A 104 7.940 4.094 -12.481 1.00 3.00 H new ATOM 0 HB3 ASP A 104 6.331 3.566 -12.029 1.00 3.00 H new ATOM 1496 N LEU A 105 4.894 5.122 -9.767 1.00 32.43 N ATOM 1497 CA LEU A 105 3.638 5.633 -9.245 1.00 4.30 C ATOM 1498 C LEU A 105 3.909 6.667 -8.156 1.00 23.12 C ATOM 1499 O LEU A 105 3.300 7.732 -8.209 1.00 11.21 O ATOM 1500 CB LEU A 105 2.745 4.479 -8.763 1.00 60.52 C ATOM 1501 CG LEU A 105 2.261 3.587 -9.929 1.00 2.04 C ATOM 1502 CD1 LEU A 105 1.560 2.332 -9.396 1.00 2.21 C ATOM 1503 CD2 LEU A 105 1.318 4.334 -10.883 1.00 2.34 C ATOM 0 H LEU A 105 5.091 4.156 -9.506 1.00 32.43 H new ATOM 0 HA LEU A 105 3.090 6.139 -10.040 1.00 4.30 H new ATOM 0 HB2 LEU A 105 3.297 3.870 -8.047 1.00 60.52 H new ATOM 0 HB3 LEU A 105 1.882 4.886 -8.237 1.00 60.52 H new ATOM 0 HG LEU A 105 3.149 3.300 -10.492 1.00 2.04 H new ATOM 0 HD11 LEU A 105 1.227 1.718 -10.233 1.00 2.21 H new ATOM 0 HD12 LEU A 105 2.255 1.761 -8.781 1.00 2.21 H new ATOM 0 HD13 LEU A 105 0.699 2.624 -8.795 1.00 2.21 H new ATOM 0 HD21 LEU A 105 1.006 3.664 -11.685 1.00 2.34 H new ATOM 0 HD22 LEU A 105 0.441 4.676 -10.334 1.00 2.34 H new ATOM 0 HD23 LEU A 105 1.837 5.193 -11.309 1.00 2.34 H new ATOM 1514 N TRP A 106 4.832 6.406 -7.216 1.00 24.51 N ATOM 1515 CA TRP A 106 5.190 7.369 -6.173 1.00 41.05 C ATOM 1516 C TRP A 106 5.632 8.701 -6.784 1.00 53.32 C ATOM 1517 O TRP A 106 5.206 9.761 -6.320 1.00 64.44 O ATOM 1518 CB TRP A 106 6.281 6.805 -5.243 1.00 42.12 C ATOM 1519 CG TRP A 106 6.765 7.775 -4.205 1.00 42.03 C ATOM 1520 CD1 TRP A 106 8.020 8.261 -4.077 1.00 40.14 C ATOM 1521 CD2 TRP A 106 5.985 8.447 -3.184 1.00 15.00 C ATOM 1522 NE1 TRP A 106 8.050 9.234 -3.091 1.00 73.14 N ATOM 1523 CE2 TRP A 106 6.806 9.398 -2.513 1.00 71.41 C ATOM 1524 CE3 TRP A 106 4.641 8.360 -2.785 1.00 63.15 C ATOM 1525 CZ2 TRP A 106 6.291 10.242 -1.512 1.00 13.42 C ATOM 1526 CZ3 TRP A 106 4.118 9.176 -1.767 1.00 62.34 C ATOM 1527 CH2 TRP A 106 4.937 10.131 -1.135 1.00 4.30 C ATOM 0 H TRP A 106 5.345 5.526 -7.161 1.00 24.51 H new ATOM 0 HA TRP A 106 4.299 7.551 -5.572 1.00 41.05 H new ATOM 0 HB2 TRP A 106 5.893 5.918 -4.742 1.00 42.12 H new ATOM 0 HB3 TRP A 106 7.129 6.485 -5.848 1.00 42.12 H new ATOM 0 HD1 TRP A 106 8.872 7.939 -4.657 1.00 40.14 H new ATOM 0 HE1 TRP A 106 8.882 9.761 -2.826 1.00 73.14 H new ATOM 0 HE3 TRP A 106 3.993 7.648 -3.273 1.00 63.15 H new ATOM 0 HZ2 TRP A 106 6.929 10.971 -1.035 1.00 13.42 H new ATOM 0 HZ3 TRP A 106 3.085 9.070 -1.469 1.00 62.34 H new ATOM 0 HH2 TRP A 106 4.531 10.773 -0.368 1.00 4.30 H new ATOM 1537 N GLU A 107 6.447 8.654 -7.839 1.00 54.01 N ATOM 1538 CA GLU A 107 6.922 9.838 -8.549 1.00 61.35 C ATOM 1539 C GLU A 107 5.772 10.656 -9.120 1.00 35.22 C ATOM 1540 O GLU A 107 5.847 11.888 -9.158 1.00 11.02 O ATOM 1541 CB GLU A 107 7.866 9.435 -9.699 1.00 33.20 C ATOM 1542 CG GLU A 107 9.285 9.958 -9.472 1.00 20.22 C ATOM 1543 CD GLU A 107 9.505 11.468 -9.599 1.00 2.32 C ATOM 1544 OE1 GLU A 107 8.884 12.139 -10.454 1.00 34.11 O ATOM 1545 OE2 GLU A 107 10.376 11.986 -8.856 1.00 74.25 O ATOM 0 H GLU A 107 6.799 7.779 -8.228 1.00 54.01 H new ATOM 0 HA GLU A 107 7.458 10.450 -7.823 1.00 61.35 H new ATOM 0 HB2 GLU A 107 7.888 8.349 -9.789 1.00 33.20 H new ATOM 0 HB3 GLU A 107 7.480 9.825 -10.641 1.00 33.20 H new ATOM 0 HG2 GLU A 107 9.601 9.654 -8.474 1.00 20.22 H new ATOM 0 HG3 GLU A 107 9.946 9.460 -10.182 1.00 20.22 H new ATOM 1550 N ASN A 108 4.732 9.988 -9.620 1.00 35.30 N ATOM 1551 CA ASN A 108 3.633 10.679 -10.273 1.00 11.04 C ATOM 1552 C ASN A 108 2.923 11.568 -9.259 1.00 0.13 C ATOM 1553 O ASN A 108 2.763 12.758 -9.522 1.00 15.14 O ATOM 1554 CB ASN A 108 2.681 9.706 -10.971 1.00 43.21 C ATOM 1555 CG ASN A 108 2.282 10.261 -12.334 1.00 35.22 C ATOM 1556 OD1 ASN A 108 1.737 11.355 -12.470 1.00 32.54 O ATOM 1557 ND2 ASN A 108 2.588 9.534 -13.394 1.00 2.10 N ATOM 0 H ASN A 108 4.633 8.974 -9.583 1.00 35.30 H new ATOM 0 HA ASN A 108 4.032 11.314 -11.064 1.00 11.04 H new ATOM 0 HB2 ASN A 108 3.162 8.735 -11.090 1.00 43.21 H new ATOM 0 HB3 ASN A 108 1.793 9.549 -10.358 1.00 43.21 H new ATOM 0 HD21 ASN A 108 2.372 9.880 -14.329 1.00 2.10 H new ATOM 0 HD22 ASN A 108 3.040 8.627 -13.277 1.00 2.10 H new ATOM 1563 N TYR A 109 2.623 11.037 -8.067 1.00 75.23 N ATOM 1564 CA TYR A 109 2.075 11.802 -6.950 1.00 20.24 C ATOM 1565 C TYR A 109 2.913 13.036 -6.682 1.00 22.50 C ATOM 1566 O TYR A 109 2.348 14.118 -6.580 1.00 1.02 O ATOM 1567 CB TYR A 109 2.032 10.967 -5.668 1.00 35.21 C ATOM 1568 CG TYR A 109 0.893 9.980 -5.591 1.00 20.53 C ATOM 1569 CD1 TYR A 109 -0.404 10.356 -5.197 1.00 75.31 C ATOM 1570 CD2 TYR A 109 1.161 8.650 -5.936 1.00 52.11 C ATOM 1571 CE1 TYR A 109 -1.443 9.401 -5.216 1.00 53.25 C ATOM 1572 CE2 TYR A 109 0.145 7.696 -5.945 1.00 73.35 C ATOM 1573 CZ TYR A 109 -1.175 8.066 -5.602 1.00 14.41 C ATOM 1574 OH TYR A 109 -2.180 7.149 -5.594 1.00 4.34 O ATOM 0 H TYR A 109 2.758 10.049 -7.853 1.00 75.23 H new ATOM 0 HA TYR A 109 1.062 12.089 -7.231 1.00 20.24 H new ATOM 0 HB2 TYR A 109 2.972 10.423 -5.574 1.00 35.21 H new ATOM 0 HB3 TYR A 109 1.967 11.642 -4.814 1.00 35.21 H new ATOM 0 HD1 TYR A 109 -0.604 11.370 -4.882 1.00 75.31 H new ATOM 0 HD2 TYR A 109 2.168 8.360 -6.198 1.00 52.11 H new ATOM 0 HE1 TYR A 109 -2.445 9.690 -4.935 1.00 53.25 H new ATOM 0 HE2 TYR A 109 0.367 6.674 -6.214 1.00 73.35 H new ATOM 0 HH TYR A 109 -1.829 6.277 -5.871 1.00 4.34 H new ATOM 1583 N LEU A 110 4.243 12.911 -6.587 1.00 14.42 N ATOM 1584 CA LEU A 110 5.092 14.047 -6.234 1.00 54.04 C ATOM 1585 C LEU A 110 4.876 15.206 -7.189 1.00 54.25 C ATOM 1586 O LEU A 110 4.945 16.359 -6.763 1.00 63.51 O ATOM 1587 CB LEU A 110 6.583 13.679 -6.277 1.00 61.13 C ATOM 1588 CG LEU A 110 7.001 12.588 -5.289 1.00 42.02 C ATOM 1589 CD1 LEU A 110 8.466 12.238 -5.513 1.00 31.43 C ATOM 1590 CD2 LEU A 110 6.756 13.038 -3.850 1.00 52.35 C ATOM 0 H LEU A 110 4.748 12.040 -6.749 1.00 14.42 H new ATOM 0 HA LEU A 110 4.813 14.332 -5.220 1.00 54.04 H new ATOM 0 HB2 LEU A 110 6.834 13.352 -7.286 1.00 61.13 H new ATOM 0 HB3 LEU A 110 7.170 14.575 -6.078 1.00 61.13 H new ATOM 0 HG LEU A 110 6.396 11.698 -5.460 1.00 42.02 H new ATOM 0 HD11 LEU A 110 8.766 11.461 -4.810 1.00 31.43 H new ATOM 0 HD12 LEU A 110 8.602 11.877 -6.533 1.00 31.43 H new ATOM 0 HD13 LEU A 110 9.080 13.125 -5.357 1.00 31.43 H new ATOM 0 HD21 LEU A 110 7.060 12.247 -3.165 1.00 52.35 H new ATOM 0 HD22 LEU A 110 7.337 13.938 -3.646 1.00 52.35 H new ATOM 0 HD23 LEU A 110 5.696 13.251 -3.711 1.00 52.35 H new ATOM 1601 N ALA A 111 4.632 14.903 -8.463 1.00 51.05 N ATOM 1602 CA ALA A 111 4.308 15.868 -9.490 1.00 32.24 C ATOM 1603 C ALA A 111 2.867 16.373 -9.312 1.00 43.01 C ATOM 1604 O ALA A 111 2.655 17.572 -9.102 1.00 43.43 O ATOM 1605 CB ALA A 111 4.574 15.207 -10.849 1.00 35.42 C ATOM 0 H ALA A 111 4.657 13.945 -8.811 1.00 51.05 H new ATOM 0 HA ALA A 111 4.933 16.759 -9.421 1.00 32.24 H new ATOM 0 HB1 ALA A 111 4.339 15.910 -11.648 1.00 35.42 H new ATOM 0 HB2 ALA A 111 5.624 14.920 -10.915 1.00 35.42 H new ATOM 0 HB3 ALA A 111 3.949 14.320 -10.951 1.00 35.42 H new ATOM 1611 N ARG A 112 1.863 15.485 -9.356 1.00 21.42 N ATOM 1612 CA ARG A 112 0.449 15.886 -9.302 1.00 73.21 C ATOM 1613 C ARG A 112 0.087 16.607 -7.999 1.00 20.42 C ATOM 1614 O ARG A 112 -0.853 17.392 -7.990 1.00 13.20 O ATOM 1615 CB ARG A 112 -0.518 14.705 -9.507 1.00 54.13 C ATOM 1616 CG ARG A 112 -0.169 13.709 -10.617 1.00 74.45 C ATOM 1617 CD ARG A 112 -1.377 12.934 -11.149 1.00 40.44 C ATOM 1618 NE ARG A 112 -2.247 13.760 -12.001 1.00 12.22 N ATOM 1619 CZ ARG A 112 -3.337 13.325 -12.643 1.00 62.21 C ATOM 1620 NH1 ARG A 112 -3.743 12.064 -12.511 1.00 3.00 N ATOM 1621 NH2 ARG A 112 -4.009 14.182 -13.401 1.00 2.33 N ATOM 0 H ARG A 112 2.006 14.478 -9.429 1.00 21.42 H new ATOM 0 HA ARG A 112 0.330 16.581 -10.133 1.00 73.21 H new ATOM 0 HB2 ARG A 112 -0.587 14.156 -8.568 1.00 54.13 H new ATOM 0 HB3 ARG A 112 -1.509 15.110 -9.713 1.00 54.13 H new ATOM 0 HG2 ARG A 112 0.299 14.247 -11.442 1.00 74.45 H new ATOM 0 HG3 ARG A 112 0.568 13.001 -10.239 1.00 74.45 H new ATOM 0 HD2 ARG A 112 -1.029 12.072 -11.718 1.00 40.44 H new ATOM 0 HD3 ARG A 112 -1.956 12.549 -10.309 1.00 40.44 H new ATOM 0 HE ARG A 112 -1.999 14.743 -12.111 1.00 12.22 H new ATOM 0 HH11 ARG A 112 -3.222 11.420 -11.916 1.00 3.00 H new ATOM 0 HH12 ARG A 112 -4.575 11.742 -13.005 1.00 3.00 H new ATOM 0 HH21 ARG A 112 -3.691 15.148 -13.484 1.00 2.33 H new ATOM 0 HH22 ARG A 112 -4.843 13.875 -13.901 1.00 2.33 H new ATOM 1632 N LEU A 113 0.840 16.410 -6.915 1.00 52.35 N ATOM 1633 CA LEU A 113 0.680 17.090 -5.636 1.00 71.52 C ATOM 1634 C LEU A 113 0.728 18.592 -5.888 1.00 60.25 C ATOM 1635 O LEU A 113 -0.200 19.305 -5.502 1.00 72.21 O ATOM 1636 CB LEU A 113 1.772 16.603 -4.656 1.00 11.12 C ATOM 1637 CG LEU A 113 1.565 16.922 -3.162 1.00 34.41 C ATOM 1638 CD1 LEU A 113 2.833 16.613 -2.369 1.00 44.42 C ATOM 1639 CD2 LEU A 113 1.208 18.369 -2.862 1.00 12.13 C ATOM 0 H LEU A 113 1.611 15.742 -6.908 1.00 52.35 H new ATOM 0 HA LEU A 113 -0.279 16.859 -5.173 1.00 71.52 H new ATOM 0 HB2 LEU A 113 1.864 15.522 -4.762 1.00 11.12 H new ATOM 0 HB3 LEU A 113 2.723 17.036 -4.966 1.00 11.12 H new ATOM 0 HG LEU A 113 0.722 16.295 -2.870 1.00 34.41 H new ATOM 0 HD11 LEU A 113 2.669 16.844 -1.316 1.00 44.42 H new ATOM 0 HD12 LEU A 113 3.080 15.557 -2.475 1.00 44.42 H new ATOM 0 HD13 LEU A 113 3.656 17.218 -2.749 1.00 44.42 H new ATOM 0 HD21 LEU A 113 1.082 18.497 -1.787 1.00 12.13 H new ATOM 0 HD22 LEU A 113 2.007 19.021 -3.214 1.00 12.13 H new ATOM 0 HD23 LEU A 113 0.279 18.627 -3.369 1.00 12.13 H new ATOM 1650 N ARG A 114 1.760 19.083 -6.587 1.00 53.22 N ATOM 1651 CA ARG A 114 1.845 20.514 -6.866 1.00 43.03 C ATOM 1652 C ARG A 114 0.736 20.958 -7.815 1.00 1.41 C ATOM 1653 O ARG A 114 0.207 22.056 -7.659 1.00 15.02 O ATOM 1654 CB ARG A 114 3.230 20.905 -7.404 1.00 35.52 C ATOM 1655 CG ARG A 114 4.339 20.723 -6.349 1.00 71.11 C ATOM 1656 CD ARG A 114 5.236 19.513 -6.632 1.00 40.13 C ATOM 1657 NE ARG A 114 6.245 19.803 -7.663 1.00 34.54 N ATOM 1658 CZ ARG A 114 7.180 18.961 -8.122 1.00 11.23 C ATOM 1659 NH1 ARG A 114 7.214 17.684 -7.767 1.00 60.24 N ATOM 1660 NH2 ARG A 114 8.086 19.409 -8.974 1.00 21.41 N ATOM 0 H ARG A 114 2.527 18.524 -6.959 1.00 53.22 H new ATOM 0 HA ARG A 114 1.704 21.039 -5.921 1.00 43.03 H new ATOM 0 HB2 ARG A 114 3.462 20.299 -8.280 1.00 35.52 H new ATOM 0 HB3 ARG A 114 3.210 21.944 -7.732 1.00 35.52 H new ATOM 0 HG2 ARG A 114 4.952 21.624 -6.314 1.00 71.11 H new ATOM 0 HG3 ARG A 114 3.883 20.609 -5.365 1.00 71.11 H new ATOM 0 HD2 ARG A 114 5.735 19.209 -5.712 1.00 40.13 H new ATOM 0 HD3 ARG A 114 4.620 18.673 -6.954 1.00 40.13 H new ATOM 0 HE ARG A 114 6.231 20.739 -8.069 1.00 34.54 H new ATOM 0 HH11 ARG A 114 6.513 17.314 -7.125 1.00 60.24 H new ATOM 0 HH12 ARG A 114 7.941 17.071 -8.136 1.00 60.24 H new ATOM 0 HH21 ARG A 114 8.067 20.384 -9.273 1.00 21.41 H new ATOM 0 HH22 ARG A 114 8.804 18.780 -9.332 1.00 21.41 H new ATOM 1671 N ALA A 115 0.317 20.087 -8.734 1.00 20.53 N ATOM 1672 CA ALA A 115 -0.801 20.345 -9.625 1.00 20.11 C ATOM 1673 C ALA A 115 -2.135 20.411 -8.861 1.00 64.45 C ATOM 1674 O ALA A 115 -3.117 20.876 -9.441 1.00 31.42 O ATOM 1675 CB ALA A 115 -0.831 19.269 -10.721 1.00 41.12 C ATOM 0 H ALA A 115 0.752 19.176 -8.877 1.00 20.53 H new ATOM 0 HA ALA A 115 -0.664 21.322 -10.089 1.00 20.11 H new ATOM 0 HB1 ALA A 115 -1.668 19.457 -11.393 1.00 41.12 H new ATOM 0 HB2 ALA A 115 0.101 19.298 -11.285 1.00 41.12 H new ATOM 0 HB3 ALA A 115 -0.947 18.287 -10.263 1.00 41.12 H new ATOM 1681 N ALA A 116 -2.186 19.979 -7.592 1.00 1.03 N ATOM 1682 CA ALA A 116 -3.394 19.885 -6.787 1.00 0.11 C ATOM 1683 C ALA A 116 -3.337 20.732 -5.506 1.00 54.42 C ATOM 1684 O ALA A 116 -4.310 20.741 -4.753 1.00 71.14 O ATOM 1685 CB ALA A 116 -3.669 18.411 -6.465 1.00 72.32 C ATOM 0 H ALA A 116 -1.352 19.677 -7.088 1.00 1.03 H new ATOM 0 HA ALA A 116 -4.216 20.297 -7.372 1.00 0.11 H new ATOM 0 HB1 ALA A 116 -4.573 18.333 -5.862 1.00 72.32 H new ATOM 0 HB2 ALA A 116 -3.803 17.855 -7.393 1.00 72.32 H new ATOM 0 HB3 ALA A 116 -2.827 17.996 -5.911 1.00 72.32 H new ATOM 1691 N LYS A 117 -2.237 21.453 -5.249 1.00 35.52 N ATOM 1692 CA LYS A 117 -2.012 22.288 -4.062 1.00 35.13 C ATOM 1693 C LYS A 117 -2.328 21.573 -2.730 1.00 40.03 C ATOM 1694 O LYS A 117 -2.790 22.214 -1.778 1.00 34.30 O ATOM 1695 CB LYS A 117 -2.761 23.630 -4.209 1.00 24.21 C ATOM 1696 CG LYS A 117 -2.325 24.474 -5.429 1.00 31.52 C ATOM 1697 CD LYS A 117 -3.189 24.303 -6.693 1.00 13.43 C ATOM 1698 CE LYS A 117 -4.568 24.949 -6.505 1.00 20.41 C ATOM 1699 NZ LYS A 117 -5.439 24.779 -7.687 1.00 54.34 N ATOM 0 H LYS A 117 -1.445 21.471 -5.892 1.00 35.52 H new ATOM 0 HA LYS A 117 -0.943 22.494 -4.010 1.00 35.13 H new ATOM 0 HB2 LYS A 117 -3.830 23.429 -4.285 1.00 24.21 H new ATOM 0 HB3 LYS A 117 -2.610 24.218 -3.303 1.00 24.21 H new ATOM 0 HG2 LYS A 117 -2.333 25.526 -5.143 1.00 31.52 H new ATOM 0 HG3 LYS A 117 -1.295 24.219 -5.676 1.00 31.52 H new ATOM 0 HD2 LYS A 117 -2.685 24.755 -7.547 1.00 13.43 H new ATOM 0 HD3 LYS A 117 -3.307 23.243 -6.917 1.00 13.43 H new ATOM 0 HE2 LYS A 117 -5.055 24.512 -5.633 1.00 20.41 H new ATOM 0 HE3 LYS A 117 -4.443 26.012 -6.300 1.00 20.41 H new ATOM 0 HZ1 LYS A 117 -6.358 25.233 -7.509 1.00 54.34 H new ATOM 0 HZ2 LYS A 117 -4.990 25.219 -8.515 1.00 54.34 H new ATOM 0 HZ3 LYS A 117 -5.583 23.765 -7.869 1.00 54.34 H new ATOM 1709 N ALA A 118 -2.102 20.256 -2.651 1.00 63.14 N ATOM 1710 CA ALA A 118 -2.388 19.489 -1.439 1.00 72.42 C ATOM 1711 C ALA A 118 -1.373 19.797 -0.316 1.00 0.04 C ATOM 1712 O ALA A 118 -0.475 20.626 -0.492 1.00 21.54 O ATOM 1713 CB ALA A 118 -2.450 17.988 -1.765 1.00 4.34 C ATOM 0 H ALA A 118 -1.721 19.700 -3.417 1.00 63.14 H new ATOM 0 HA ALA A 118 -3.365 19.793 -1.062 1.00 72.42 H new ATOM 0 HB1 ALA A 118 -2.663 17.427 -0.855 1.00 4.34 H new ATOM 0 HB2 ALA A 118 -3.238 17.807 -2.496 1.00 4.34 H new ATOM 0 HB3 ALA A 118 -1.493 17.665 -2.175 1.00 4.34 H new ATOM 1719 N SER A 119 -1.507 19.146 0.852 1.00 13.33 N ATOM 1720 CA SER A 119 -0.498 19.226 1.919 1.00 64.55 C ATOM 1721 C SER A 119 0.759 18.455 1.496 1.00 63.12 C ATOM 1722 O SER A 119 0.871 17.995 0.367 1.00 21.53 O ATOM 1723 CB SER A 119 -1.039 18.706 3.264 1.00 24.34 C ATOM 1724 OG SER A 119 -2.236 19.384 3.618 1.00 64.24 O ATOM 0 H SER A 119 -2.308 18.557 1.080 1.00 13.33 H new ATOM 0 HA SER A 119 -0.242 20.275 2.069 1.00 64.55 H new ATOM 0 HB2 SER A 119 -1.228 17.635 3.196 1.00 24.34 H new ATOM 0 HB3 SER A 119 -0.290 18.849 4.043 1.00 24.34 H new ATOM 0 HG SER A 119 -2.566 19.040 4.474 1.00 64.24 H new ATOM 1729 N ARG A 120 1.721 18.253 2.385 1.00 54.23 N ATOM 1730 CA ARG A 120 2.916 17.452 2.140 1.00 35.12 C ATOM 1731 C ARG A 120 3.400 17.048 3.514 1.00 71.12 C ATOM 1732 O ARG A 120 4.242 17.724 4.114 1.00 60.33 O ATOM 1733 CB ARG A 120 3.977 18.248 1.348 1.00 62.31 C ATOM 1734 CG ARG A 120 3.964 19.774 1.559 1.00 22.10 C ATOM 1735 CD ARG A 120 5.377 20.344 1.607 1.00 31.52 C ATOM 1736 NE ARG A 120 5.386 21.817 1.553 1.00 43.21 N ATOM 1737 CZ ARG A 120 6.240 22.630 2.192 1.00 72.45 C ATOM 1738 NH1 ARG A 120 7.178 22.162 3.010 1.00 62.25 N ATOM 1739 NH2 ARG A 120 6.155 23.934 1.998 1.00 35.20 N ATOM 0 H ARG A 120 1.693 18.652 3.323 1.00 54.23 H new ATOM 0 HA ARG A 120 2.710 16.578 1.522 1.00 35.12 H new ATOM 0 HB2 ARG A 120 4.963 17.871 1.618 1.00 62.31 H new ATOM 0 HB3 ARG A 120 3.838 18.046 0.286 1.00 62.31 H new ATOM 0 HG2 ARG A 120 3.406 20.249 0.752 1.00 22.10 H new ATOM 0 HG3 ARG A 120 3.444 20.009 2.488 1.00 22.10 H new ATOM 0 HD2 ARG A 120 5.870 20.013 2.521 1.00 31.52 H new ATOM 0 HD3 ARG A 120 5.955 19.948 0.772 1.00 31.52 H new ATOM 0 HE ARG A 120 4.674 22.261 0.973 1.00 43.21 H new ATOM 0 HH11 ARG A 120 7.263 21.158 3.167 1.00 62.25 H new ATOM 0 HH12 ARG A 120 7.812 22.807 3.481 1.00 62.25 H new ATOM 0 HH21 ARG A 120 5.446 24.311 1.369 1.00 35.20 H new ATOM 0 HH22 ARG A 120 6.798 24.564 2.478 1.00 35.20 H new ATOM 1750 N GLU A 121 2.825 15.951 4.010 1.00 14.22 N ATOM 1751 CA GLU A 121 3.336 15.350 5.236 1.00 34.33 C ATOM 1752 C GLU A 121 4.840 15.023 5.079 1.00 33.51 C ATOM 1753 O GLU A 121 5.311 14.888 3.945 1.00 23.21 O ATOM 1754 CB GLU A 121 2.508 14.104 5.583 1.00 24.54 C ATOM 1755 CG GLU A 121 1.037 14.314 5.923 1.00 54.13 C ATOM 1756 CD GLU A 121 0.693 15.169 7.136 1.00 15.33 C ATOM 1757 OE1 GLU A 121 1.552 15.899 7.661 1.00 61.12 O ATOM 1758 OE2 GLU A 121 -0.480 15.045 7.560 1.00 64.35 O ATOM 0 H GLU A 121 2.026 15.473 3.593 1.00 14.22 H new ATOM 0 HA GLU A 121 3.241 16.054 6.063 1.00 34.33 H new ATOM 0 HB2 GLU A 121 2.564 13.416 4.739 1.00 24.54 H new ATOM 0 HB3 GLU A 121 2.983 13.609 6.430 1.00 24.54 H new ATOM 0 HG2 GLU A 121 0.555 14.761 5.053 1.00 54.13 H new ATOM 0 HG3 GLU A 121 0.586 13.333 6.069 1.00 54.13 H new ATOM 1763 N PRO A 122 5.613 14.900 6.172 1.00 13.14 N ATOM 1764 CA PRO A 122 7.075 14.872 6.116 1.00 1.34 C ATOM 1765 C PRO A 122 7.692 13.505 5.814 1.00 61.42 C ATOM 1766 O PRO A 122 7.322 12.510 6.431 1.00 3.12 O ATOM 1767 CB PRO A 122 7.540 15.316 7.512 1.00 52.11 C ATOM 1768 CG PRO A 122 6.395 14.852 8.405 1.00 23.23 C ATOM 1769 CD PRO A 122 5.163 15.091 7.539 1.00 13.11 C ATOM 0 HA PRO A 122 7.396 15.513 5.295 1.00 1.34 H new ATOM 0 HB2 PRO A 122 8.486 14.852 7.791 1.00 52.11 H new ATOM 0 HB3 PRO A 122 7.686 16.395 7.567 1.00 52.11 H new ATOM 0 HG2 PRO A 122 6.498 13.802 8.679 1.00 23.23 H new ATOM 0 HG3 PRO A 122 6.352 15.421 9.334 1.00 23.23 H new ATOM 0 HD2 PRO A 122 4.364 14.394 7.791 1.00 13.11 H new ATOM 0 HD3 PRO A 122 4.768 16.096 7.686 1.00 13.11 H new