USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1214 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: B 72 GLN : amide:sc= -0.227 K(o=-1.7,f=-2.4) USER MOD Set 1.2: B 77 MET CE :methyl -171:sc= -1.46 (180deg=-1.59!) USER MOD Set 2.1: B 1 MET CE :methyl -146:sc= -2.23! (180deg=-3.99!) USER MOD Set 2.2: B 62 THR OG1 : rot -160:sc= -1.22 USER MOD Set 3.1: A 72 GLN : amide:sc= -0.183 K(o=-1.6,f=-2.3) USER MOD Set 3.2: A 77 MET CE :methyl -178:sc= -1.46! (180deg=-1.55!) USER MOD Set 4.1: A 1 MET CE :methyl -127:sc= -1.58 (180deg=-4.07!) USER MOD Set 4.2: A 62 THR OG1 : rot -91:sc= -1.28 USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.109 (180deg=-0.0314) USER MOD Single : A 3 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.212) USER MOD Single : A 7 LYS NZ :NH3+ -109:sc= -0.946 (180deg=-3.03!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -7.86! C(o=-7.9!,f=-12!) USER MOD Single : A 12 GLN : amide:sc= -0.747 K(o=-0.75,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -9.86! C(o=-9.9!,f=-6.8!) USER MOD Single : A 31 GLN : amide:sc= -9.95! C(o=-9.9!,f=-16!) USER MOD Single : A 33 CYS SG : rot 19:sc= -10.7! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -5.68! C(o=-5.7!,f=-4.4!) USER MOD Single : A 41 HIS : no HD1:sc= -0.261 K(o=-0.26,f=-1.1) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -110:sc= -0.161 USER MOD Single : A 53 GLN : amide:sc= -0.0521 X(o=-0.052,f=-0.26) USER MOD Single : A 56 TYR OH : rot 180:sc= -3.18! USER MOD Single : A 61 TYR OH : rot 3:sc= 0.86 USER MOD Single : A 64 HIS : no HD1:sc= -0.239 K(o=-0.24,f=-3.6!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -138:sc= -2.05! USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.12) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -120:sc= 0.154 (180deg=-0.0291) USER MOD Single : B 3 LYS NZ :NH3+ 169:sc=-0.00547 (180deg=-0.233) USER MOD Single : B 7 LYS NZ :NH3+ -107:sc= -0.788 (180deg=-2.79!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -7.81! C(o=-7.8!,f=-12!) USER MOD Single : B 12 GLN : amide:sc= -0.739 K(o=-0.74,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.00922 USER MOD Single : B 29 ASN : amide:sc= -9.69! C(o=-9.7!,f=-7!) USER MOD Single : B 31 GLN : amide:sc= -9.97! C(o=-10!,f=-16!) USER MOD Single : B 33 CYS SG : rot 15:sc= -10.9! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -5.85! C(o=-5.9!,f=-4.5!) USER MOD Single : B 41 HIS : no HD1:sc= -0.288 K(o=-0.29,f=-1) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot -110:sc= -0.173 USER MOD Single : B 53 GLN : amide:sc= -0.0286 X(o=-0.029,f=-0.3) USER MOD Single : B 56 TYR OH : rot 180:sc= -3.22! USER MOD Single : B 61 TYR OH : rot -7:sc= 0.749 USER MOD Single : B 64 HIS : no HD1:sc= -0.256 K(o=-0.26,f=-3.8!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -141:sc= -2.08! USER MOD Single : B 69 LYS NZ :NH3+ -169:sc= 1.26 (180deg=1.01) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.790 17.644 3.367 1.00 42.32 N ATOM 2 CA MET A 1 -1.928 16.490 2.984 1.00 40.89 C ATOM 3 C MET A 1 -1.889 15.481 4.131 1.00 34.75 C ATOM 4 O MET A 1 -2.553 15.641 5.136 1.00 33.97 O ATOM 5 CB MET A 1 -0.505 16.990 2.696 1.00 48.45 C ATOM 6 CG MET A 1 0.221 17.285 4.015 1.00 56.13 C ATOM 7 SD MET A 1 1.217 18.785 3.831 1.00 64.91 S ATOM 8 CE MET A 1 2.459 18.097 2.709 1.00 63.43 C ATOM 0 H1 MET A 1 -3.551 17.756 2.667 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.205 17.471 4.305 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.216 18.511 3.397 1.00 42.32 H new ATOM 0 HA MET A 1 -2.334 16.012 2.093 1.00 40.89 H new ATOM 0 HB2 MET A 1 0.045 16.240 2.128 1.00 48.45 H new ATOM 0 HB3 MET A 1 -0.544 17.890 2.083 1.00 48.45 H new ATOM 0 HG2 MET A 1 -0.502 17.412 4.820 1.00 56.13 H new ATOM 0 HG3 MET A 1 0.858 16.444 4.288 1.00 56.13 H new ATOM 0 HE1 MET A 1 3.455 18.280 3.112 1.00 63.43 H new ATOM 0 HE2 MET A 1 2.301 17.023 2.606 1.00 63.43 H new ATOM 0 HE3 MET A 1 2.370 18.572 1.732 1.00 63.43 H new ATOM 20 N ILE A 2 -1.101 14.451 3.997 1.00 28.59 N ATOM 21 CA ILE A 2 -1.006 13.446 5.088 1.00 24.58 C ATOM 22 C ILE A 2 -0.227 14.068 6.244 1.00 19.29 C ATOM 23 O ILE A 2 0.945 13.817 6.429 1.00 19.53 O ATOM 24 CB ILE A 2 -0.287 12.201 4.578 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.858 11.807 3.218 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.503 11.051 5.560 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.240 11.173 2.375 1.00 33.80 C ATOM 0 H ILE A 2 -0.520 14.263 3.180 1.00 28.59 H new ATOM 0 HA ILE A 2 -2.001 13.156 5.425 1.00 24.58 H new ATOM 0 HB ILE A 2 0.778 12.411 4.485 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.684 11.107 3.346 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.260 12.685 2.712 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.010 10.161 5.196 1.00 23.06 H new ATOM 0 HG22 ILE A 2 -0.104 11.327 6.536 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.569 10.844 5.649 1.00 23.06 H new ATOM 0 HD11 ILE A 2 -0.165 10.891 1.403 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.051 11.888 2.236 1.00 33.80 H new ATOM 0 HD13 ILE A 2 0.621 10.286 2.881 1.00 33.80 H new ATOM 39 N LYS A 3 -0.880 14.899 7.008 1.00 18.14 N ATOM 40 CA LYS A 3 -0.202 15.580 8.146 1.00 16.66 C ATOM 41 C LYS A 3 0.304 14.573 9.175 1.00 14.94 C ATOM 42 O LYS A 3 0.035 13.393 9.098 1.00 13.94 O ATOM 43 CB LYS A 3 -1.177 16.550 8.816 1.00 16.94 C ATOM 44 CG LYS A 3 -0.917 17.968 8.302 1.00 17.85 C ATOM 45 CD LYS A 3 -1.489 18.985 9.291 1.00 19.63 C ATOM 46 CE LYS A 3 -1.039 20.392 8.893 1.00 26.28 C ATOM 47 NZ LYS A 3 -1.633 20.750 7.574 1.00 32.72 N ATOM 0 H LYS A 3 -1.865 15.138 6.891 1.00 18.14 H new ATOM 0 HA LYS A 3 0.656 16.125 7.753 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.205 16.256 8.601 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -1.055 16.516 9.899 1.00 16.94 H new ATOM 0 HG2 LYS A 3 0.154 18.130 8.177 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -1.376 18.100 7.322 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -2.577 18.928 9.299 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -1.151 18.756 10.301 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -1.349 21.112 9.651 1.00 26.28 H new ATOM 0 HE3 LYS A 3 0.049 20.435 8.838 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -1.499 21.766 7.397 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -1.165 20.203 6.823 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -2.650 20.531 7.580 1.00 32.72 H new ATOM 61 N VAL A 4 1.049 15.055 10.132 1.00 12.42 N ATOM 62 CA VAL A 4 1.618 14.170 11.189 1.00 12.99 C ATOM 63 C VAL A 4 2.184 15.041 12.311 1.00 14.26 C ATOM 64 O VAL A 4 2.336 16.238 12.171 1.00 13.80 O ATOM 65 CB VAL A 4 2.753 13.324 10.590 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.622 12.722 11.701 1.00 14.46 C ATOM 67 CG2 VAL A 4 2.166 12.195 9.742 1.00 10.41 C ATOM 0 H VAL A 4 1.292 16.041 10.228 1.00 12.42 H new ATOM 0 HA VAL A 4 0.840 13.514 11.579 1.00 12.99 H new ATOM 0 HB VAL A 4 3.372 13.970 9.967 1.00 12.94 H new ATOM 0 HG11 VAL A 4 4.420 12.127 11.257 1.00 14.46 H new ATOM 0 HG12 VAL A 4 4.057 13.524 12.298 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.008 12.087 12.339 1.00 14.46 H new ATOM 0 HG21 VAL A 4 2.975 11.599 9.320 1.00 10.41 H new ATOM 0 HG22 VAL A 4 1.535 11.561 10.366 1.00 10.41 H new ATOM 0 HG23 VAL A 4 1.569 12.619 8.935 1.00 10.41 H new ATOM 77 N GLU A 5 2.508 14.441 13.414 1.00 9.27 N ATOM 78 CA GLU A 5 3.083 15.205 14.554 1.00 10.51 C ATOM 79 C GLU A 5 4.065 14.312 15.292 1.00 10.00 C ATOM 80 O GLU A 5 3.688 13.422 16.028 1.00 10.96 O ATOM 81 CB GLU A 5 1.966 15.635 15.499 1.00 10.42 C ATOM 82 CG GLU A 5 1.382 16.951 15.000 1.00 18.68 C ATOM 83 CD GLU A 5 0.455 17.542 16.064 1.00 18.63 C ATOM 84 OE1 GLU A 5 0.813 17.487 17.229 1.00 22.12 O ATOM 85 OE2 GLU A 5 -0.595 18.040 15.695 1.00 19.38 O ATOM 0 H GLU A 5 2.399 13.441 13.580 1.00 9.27 H new ATOM 0 HA GLU A 5 3.595 16.094 14.186 1.00 10.51 H new ATOM 0 HB2 GLU A 5 1.191 14.870 15.541 1.00 10.42 H new ATOM 0 HB3 GLU A 5 2.352 15.753 16.511 1.00 10.42 H new ATOM 0 HG2 GLU A 5 2.184 17.653 14.773 1.00 18.68 H new ATOM 0 HG3 GLU A 5 0.830 16.787 14.074 1.00 18.68 H new ATOM 92 N ILE A 6 5.327 14.543 15.099 1.00 9.86 N ATOM 93 CA ILE A 6 6.339 13.703 15.799 1.00 10.60 C ATOM 94 C ILE A 6 6.282 14.044 17.297 1.00 10.16 C ATOM 95 O ILE A 6 6.747 15.080 17.727 1.00 11.64 O ATOM 96 CB ILE A 6 7.747 13.954 15.196 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.204 12.689 14.463 1.00 14.23 C ATOM 98 CG2 ILE A 6 8.768 14.291 16.284 1.00 12.29 C ATOM 99 CD1 ILE A 6 7.909 12.825 12.966 1.00 13.81 C ATOM 0 H ILE A 6 5.704 15.271 14.492 1.00 9.86 H new ATOM 0 HA ILE A 6 6.125 12.642 15.669 1.00 10.60 H new ATOM 0 HB ILE A 6 7.682 14.800 14.511 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.271 12.531 14.620 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.690 11.817 14.867 1.00 14.23 H new ATOM 0 HG21 ILE A 6 9.743 14.461 15.828 1.00 12.29 H new ATOM 0 HG22 ILE A 6 8.453 15.191 16.813 1.00 12.29 H new ATOM 0 HG23 ILE A 6 8.836 13.462 16.988 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.235 11.923 12.447 1.00 13.81 H new ATOM 0 HD12 ILE A 6 6.838 12.962 12.817 1.00 13.81 H new ATOM 0 HD13 ILE A 6 8.444 13.687 12.567 1.00 13.81 H new ATOM 111 N LYS A 7 5.696 13.185 18.092 1.00 11.63 N ATOM 112 CA LYS A 7 5.591 13.465 19.550 1.00 11.59 C ATOM 113 C LYS A 7 6.944 13.946 20.081 1.00 12.98 C ATOM 114 O LYS A 7 7.936 13.895 19.380 1.00 9.79 O ATOM 115 CB LYS A 7 5.176 12.183 20.275 1.00 12.52 C ATOM 116 CG LYS A 7 3.720 12.291 20.745 1.00 14.26 C ATOM 117 CD LYS A 7 2.852 12.932 19.657 1.00 15.70 C ATOM 118 CE LYS A 7 2.340 14.285 20.143 1.00 19.19 C ATOM 119 NZ LYS A 7 2.774 15.353 19.198 1.00 25.43 N ATOM 0 H LYS A 7 5.286 12.301 17.791 1.00 11.63 H new ATOM 0 HA LYS A 7 4.846 14.241 19.723 1.00 11.59 H new ATOM 0 HB2 LYS A 7 5.289 11.327 19.610 1.00 12.52 H new ATOM 0 HB3 LYS A 7 5.830 12.011 21.130 1.00 12.52 H new ATOM 0 HG2 LYS A 7 3.336 11.301 20.989 1.00 14.26 H new ATOM 0 HG3 LYS A 7 3.669 12.886 21.657 1.00 14.26 H new ATOM 0 HD2 LYS A 7 3.431 13.058 18.742 1.00 15.70 H new ATOM 0 HD3 LYS A 7 2.013 12.280 19.415 1.00 15.70 H new ATOM 0 HE2 LYS A 7 1.252 14.269 20.215 1.00 19.19 H new ATOM 0 HE3 LYS A 7 2.723 14.492 21.142 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 3.506 15.939 19.648 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 3.161 14.918 18.336 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 1.959 15.949 18.949 1.00 25.43 H new ATOM 133 N PRO A 8 6.943 14.398 21.309 1.00 13.56 N ATOM 134 CA PRO A 8 8.160 14.896 21.971 1.00 11.93 C ATOM 135 C PRO A 8 9.037 13.722 22.397 1.00 10.20 C ATOM 136 O PRO A 8 10.237 13.844 22.545 1.00 12.05 O ATOM 137 CB PRO A 8 7.625 15.661 23.184 1.00 12.78 C ATOM 138 CG PRO A 8 6.212 15.098 23.465 1.00 12.51 C ATOM 139 CD PRO A 8 5.731 14.449 22.153 1.00 13.61 C ATOM 0 HA PRO A 8 8.780 15.523 21.330 1.00 11.93 H new ATOM 0 HB2 PRO A 8 8.276 15.525 24.047 1.00 12.78 H new ATOM 0 HB3 PRO A 8 7.584 16.731 22.981 1.00 12.78 H new ATOM 0 HG2 PRO A 8 6.239 14.366 24.272 1.00 12.51 H new ATOM 0 HG3 PRO A 8 5.533 15.892 23.777 1.00 12.51 H new ATOM 0 HD2 PRO A 8 5.325 13.453 22.327 1.00 13.61 H new ATOM 0 HD3 PRO A 8 4.943 15.037 21.683 1.00 13.61 H new ATOM 147 N SER A 9 8.441 12.581 22.582 1.00 10.65 N ATOM 148 CA SER A 9 9.226 11.384 22.986 1.00 10.83 C ATOM 149 C SER A 9 9.610 10.587 21.737 1.00 10.94 C ATOM 150 O SER A 9 10.192 9.524 21.821 1.00 13.16 O ATOM 151 CB SER A 9 8.383 10.509 23.915 1.00 13.01 C ATOM 152 OG SER A 9 7.617 11.341 24.776 1.00 15.52 O ATOM 0 H SER A 9 7.439 12.424 22.470 1.00 10.65 H new ATOM 0 HA SER A 9 10.129 11.698 23.510 1.00 10.83 H new ATOM 0 HB2 SER A 9 7.724 9.867 23.330 1.00 13.01 H new ATOM 0 HB3 SER A 9 9.028 9.855 24.502 1.00 13.01 H new ATOM 0 HG SER A 9 7.074 10.784 25.372 1.00 15.52 H new ATOM 158 N GLN A 10 9.289 11.095 20.576 1.00 10.02 N ATOM 159 CA GLN A 10 9.635 10.371 19.323 1.00 11.55 C ATOM 160 C GLN A 10 10.597 11.223 18.494 1.00 13.72 C ATOM 161 O GLN A 10 10.554 11.220 17.282 1.00 17.31 O ATOM 162 CB GLN A 10 8.366 10.114 18.512 1.00 6.60 C ATOM 163 CG GLN A 10 7.258 9.640 19.448 1.00 7.20 C ATOM 164 CD GLN A 10 7.458 8.159 19.773 1.00 10.36 C ATOM 165 OE1 GLN A 10 8.569 7.668 19.760 1.00 13.01 O ATOM 166 NE2 GLN A 10 6.422 7.422 20.067 1.00 4.80 N ATOM 0 H GLN A 10 8.802 11.981 20.444 1.00 10.02 H new ATOM 0 HA GLN A 10 10.106 9.421 19.574 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.059 11.024 17.997 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.556 9.363 17.745 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.267 10.228 20.366 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.285 9.792 18.982 1.00 7.20 H new ATOM 0 HE21 GLN A 10 5.489 7.835 20.078 1.00 4.80 H new ATOM 0 HE22 GLN A 10 6.545 6.433 20.286 1.00 4.80 H new ATOM 175 N ALA A 11 11.458 11.965 19.137 1.00 15.28 N ATOM 176 CA ALA A 11 12.409 12.826 18.377 1.00 18.95 C ATOM 177 C ALA A 11 13.745 12.103 18.194 1.00 20.75 C ATOM 178 O ALA A 11 14.727 12.691 17.785 1.00 24.78 O ATOM 179 CB ALA A 11 12.638 14.130 19.143 1.00 17.72 C ATOM 0 H ALA A 11 11.544 12.012 20.152 1.00 15.28 H new ATOM 0 HA ALA A 11 11.985 13.043 17.397 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.333 14.760 18.589 1.00 17.72 H new ATOM 0 HB2 ALA A 11 11.689 14.653 19.262 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.055 13.907 20.125 1.00 17.72 H new ATOM 185 N GLN A 12 13.795 10.835 18.491 1.00 22.50 N ATOM 186 CA GLN A 12 15.072 10.087 18.330 1.00 25.43 C ATOM 187 C GLN A 12 14.799 8.706 17.737 1.00 22.80 C ATOM 188 O GLN A 12 13.919 7.992 18.175 1.00 20.93 O ATOM 189 CB GLN A 12 15.744 9.934 19.690 1.00 30.18 C ATOM 190 CG GLN A 12 16.601 11.167 19.950 1.00 42.11 C ATOM 191 CD GLN A 12 17.140 11.129 21.381 1.00 46.61 C ATOM 192 OE1 GLN A 12 17.452 12.155 21.952 1.00 46.27 O ATOM 193 NE2 GLN A 12 17.264 9.981 21.989 1.00 47.90 N ATOM 0 H GLN A 12 13.009 10.285 18.837 1.00 22.50 H new ATOM 0 HA GLN A 12 15.728 10.639 17.657 1.00 25.43 H new ATOM 0 HB2 GLN A 12 14.993 9.823 20.473 1.00 30.18 H new ATOM 0 HB3 GLN A 12 16.359 9.035 19.709 1.00 30.18 H new ATOM 0 HG2 GLN A 12 17.428 11.203 19.241 1.00 42.11 H new ATOM 0 HG3 GLN A 12 16.011 12.071 19.798 1.00 42.11 H new ATOM 0 HE21 GLN A 12 17.002 9.119 21.510 1.00 47.90 H new ATOM 0 HE22 GLN A 12 17.623 9.945 22.943 1.00 47.90 H new ATOM 202 N PHE A 13 15.551 8.325 16.742 1.00 21.61 N ATOM 203 CA PHE A 13 15.343 6.997 16.116 1.00 20.51 C ATOM 204 C PHE A 13 16.064 5.925 16.922 1.00 18.83 C ATOM 205 O PHE A 13 16.683 6.193 17.933 1.00 18.83 O ATOM 206 CB PHE A 13 15.926 7.017 14.712 1.00 19.56 C ATOM 207 CG PHE A 13 17.331 7.568 14.787 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.361 6.784 15.318 1.00 15.55 C ATOM 209 CD2 PHE A 13 17.601 8.867 14.336 1.00 20.50 C ATOM 210 CE1 PHE A 13 19.660 7.297 15.396 1.00 14.07 C ATOM 211 CE2 PHE A 13 18.900 9.378 14.414 1.00 20.75 C ATOM 212 CZ PHE A 13 19.929 8.593 14.943 1.00 18.48 C ATOM 0 H PHE A 13 16.303 8.882 16.336 1.00 21.61 H new ATOM 0 HA PHE A 13 14.276 6.778 16.086 1.00 20.51 H new ATOM 0 HB2 PHE A 13 15.935 6.012 14.291 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.312 7.633 14.055 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.153 5.783 15.667 1.00 15.55 H new ATOM 0 HD2 PHE A 13 16.806 9.473 13.928 1.00 20.50 H new ATOM 0 HE1 PHE A 13 20.455 6.692 15.806 1.00 14.07 H new ATOM 0 HE2 PHE A 13 19.109 10.379 14.066 1.00 20.75 H new ATOM 0 HZ PHE A 13 20.933 8.988 15.002 1.00 18.48 H new ATOM 222 N THR A 14 15.993 4.712 16.466 1.00 14.89 N ATOM 223 CA THR A 14 16.677 3.603 17.177 1.00 13.37 C ATOM 224 C THR A 14 17.502 2.794 16.180 1.00 11.97 C ATOM 225 O THR A 14 17.116 2.611 15.043 1.00 10.76 O ATOM 226 CB THR A 14 15.636 2.694 17.825 1.00 13.68 C ATOM 227 OG1 THR A 14 14.419 2.774 17.097 1.00 13.48 O ATOM 228 CG2 THR A 14 15.403 3.142 19.263 1.00 9.24 C ATOM 0 H THR A 14 15.486 4.438 15.624 1.00 14.89 H new ATOM 0 HA THR A 14 17.331 4.014 17.946 1.00 13.37 H new ATOM 0 HB THR A 14 15.993 1.664 17.818 1.00 13.68 H new ATOM 0 HG1 THR A 14 13.751 2.189 17.512 1.00 13.48 H new ATOM 0 HG21 THR A 14 14.660 2.495 19.730 1.00 9.24 H new ATOM 0 HG22 THR A 14 16.338 3.080 19.819 1.00 9.24 H new ATOM 0 HG23 THR A 14 15.044 4.171 19.270 1.00 9.24 H new ATOM 236 N THR A 15 18.633 2.302 16.597 1.00 13.20 N ATOM 237 CA THR A 15 19.479 1.500 15.672 1.00 12.54 C ATOM 238 C THR A 15 19.107 0.022 15.803 1.00 14.34 C ATOM 239 O THR A 15 19.226 -0.566 16.860 1.00 17.35 O ATOM 240 CB THR A 15 20.954 1.690 16.035 1.00 11.88 C ATOM 241 OG1 THR A 15 21.103 2.884 16.791 1.00 17.15 O ATOM 242 CG2 THR A 15 21.788 1.784 14.758 1.00 8.30 C ATOM 0 H THR A 15 19.009 2.420 17.538 1.00 13.20 H new ATOM 0 HA THR A 15 19.314 1.829 14.646 1.00 12.54 H new ATOM 0 HB THR A 15 21.296 0.840 16.626 1.00 11.88 H new ATOM 0 HG1 THR A 15 22.046 3.007 17.026 1.00 17.15 H new ATOM 0 HG21 THR A 15 22.838 1.919 15.018 1.00 8.30 H new ATOM 0 HG22 THR A 15 21.673 0.867 14.180 1.00 8.30 H new ATOM 0 HG23 THR A 15 21.449 2.633 14.164 1.00 8.30 H new ATOM 435 N LEU A 28 20.024 0.422 10.051 1.00 18.57 N ATOM 436 CA LEU A 28 19.377 1.742 9.821 1.00 16.31 C ATOM 437 C LEU A 28 18.690 2.217 11.103 1.00 14.21 C ATOM 438 O LEU A 28 18.498 1.463 12.036 1.00 16.97 O ATOM 439 CB LEU A 28 18.348 1.607 8.701 1.00 16.48 C ATOM 440 CG LEU A 28 18.357 2.871 7.842 1.00 22.19 C ATOM 441 CD1 LEU A 28 18.915 2.541 6.455 1.00 24.00 C ATOM 442 CD2 LEU A 28 16.929 3.406 7.705 1.00 22.01 C ATOM 0 HA LEU A 28 20.134 2.473 9.536 1.00 16.31 H new ATOM 0 HB2 LEU A 28 18.576 0.736 8.087 1.00 16.48 H new ATOM 0 HB3 LEU A 28 17.355 1.449 9.122 1.00 16.48 H new ATOM 0 HG LEU A 28 18.983 3.627 8.315 1.00 22.19 H new ATOM 0 HD11 LEU A 28 18.922 3.442 5.842 1.00 24.00 H new ATOM 0 HD12 LEU A 28 19.932 2.161 6.553 1.00 24.00 H new ATOM 0 HD13 LEU A 28 18.289 1.785 5.982 1.00 24.00 H new ATOM 0 HD21 LEU A 28 16.935 4.308 7.092 1.00 22.01 H new ATOM 0 HD22 LEU A 28 16.301 2.651 7.232 1.00 22.01 H new ATOM 0 HD23 LEU A 28 16.532 3.641 8.693 1.00 22.01 H new ATOM 454 N ASN A 29 18.322 3.468 11.153 1.00 11.64 N ATOM 455 CA ASN A 29 17.649 4.009 12.371 1.00 9.77 C ATOM 456 C ASN A 29 16.158 4.210 12.080 1.00 7.94 C ATOM 457 O ASN A 29 15.791 4.754 11.062 1.00 10.52 O ATOM 458 CB ASN A 29 18.272 5.358 12.767 1.00 14.73 C ATOM 459 CG ASN A 29 19.209 5.866 11.665 1.00 17.90 C ATOM 460 OD1 ASN A 29 20.077 5.148 11.211 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.068 7.082 11.217 1.00 12.89 N ATOM 0 H ASN A 29 18.459 4.142 10.400 1.00 11.64 H new ATOM 0 HA ASN A 29 17.777 3.302 13.190 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.484 6.089 12.947 1.00 14.73 H new ATOM 0 HB3 ASN A 29 18.825 5.249 13.700 1.00 14.73 H new ATOM 0 HD21 ASN A 29 19.687 7.431 10.485 1.00 12.89 H new ATOM 0 HD22 ASN A 29 18.339 7.685 11.598 1.00 12.89 H new ATOM 468 N GLU A 30 15.296 3.775 12.961 1.00 8.58 N ATOM 469 CA GLU A 30 13.831 3.949 12.720 1.00 13.16 C ATOM 470 C GLU A 30 13.254 4.935 13.744 1.00 12.26 C ATOM 471 O GLU A 30 13.751 5.059 14.846 1.00 10.58 O ATOM 472 CB GLU A 30 13.127 2.598 12.866 1.00 14.93 C ATOM 473 CG GLU A 30 13.369 1.757 11.611 1.00 27.13 C ATOM 474 CD GLU A 30 13.610 0.301 12.011 1.00 33.28 C ATOM 475 OE1 GLU A 30 12.887 -0.185 12.866 1.00 38.01 O ATOM 476 OE2 GLU A 30 14.512 -0.304 11.456 1.00 40.03 O ATOM 0 H GLU A 30 15.541 3.308 13.834 1.00 8.58 H new ATOM 0 HA GLU A 30 13.674 4.337 11.714 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.502 2.074 13.745 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.058 2.748 13.016 1.00 14.93 H new ATOM 0 HG2 GLU A 30 12.510 1.824 10.944 1.00 27.13 H new ATOM 0 HG3 GLU A 30 14.229 2.142 11.063 1.00 27.13 H new ATOM 483 N GLN A 31 12.205 5.635 13.392 1.00 10.34 N ATOM 484 CA GLN A 31 11.599 6.607 14.351 1.00 9.46 C ATOM 485 C GLN A 31 10.078 6.429 14.369 1.00 10.09 C ATOM 486 O GLN A 31 9.551 5.453 13.873 1.00 9.36 O ATOM 487 CB GLN A 31 11.941 8.041 13.923 1.00 7.25 C ATOM 488 CG GLN A 31 12.218 8.901 15.160 1.00 10.62 C ATOM 489 CD GLN A 31 11.383 10.181 15.086 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.197 10.132 14.826 1.00 8.56 O ATOM 491 NE2 GLN A 31 11.956 11.332 15.306 1.00 12.39 N ATOM 0 H GLN A 31 11.743 5.575 12.484 1.00 10.34 H new ATOM 0 HA GLN A 31 11.999 6.424 15.348 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.813 8.037 13.269 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.116 8.466 13.351 1.00 7.25 H new ATOM 0 HG2 GLN A 31 11.973 8.345 16.065 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.278 9.148 15.215 1.00 10.62 H new ATOM 0 HE21 GLN A 31 12.952 11.373 15.524 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.408 12.191 15.260 1.00 12.39 H new ATOM 500 N LEU A 32 9.370 7.363 14.945 1.00 6.80 N ATOM 501 CA LEU A 32 7.884 7.245 15.003 1.00 10.34 C ATOM 502 C LEU A 32 7.238 8.595 14.661 1.00 9.02 C ATOM 503 O LEU A 32 7.903 9.608 14.579 1.00 11.15 O ATOM 504 CB LEU A 32 7.473 6.818 16.415 1.00 10.20 C ATOM 505 CG LEU A 32 8.422 5.729 16.914 1.00 16.38 C ATOM 506 CD1 LEU A 32 9.665 6.377 17.528 1.00 17.42 C ATOM 507 CD2 LEU A 32 7.711 4.881 17.972 1.00 15.89 C ATOM 0 H LEU A 32 9.756 8.202 15.378 1.00 6.80 H new ATOM 0 HA LEU A 32 7.548 6.501 14.280 1.00 10.34 H new ATOM 0 HB2 LEU A 32 7.500 7.675 17.088 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.448 6.448 16.411 1.00 10.20 H new ATOM 0 HG LEU A 32 8.720 5.094 16.079 1.00 16.38 H new ATOM 0 HD11 LEU A 32 10.342 5.600 17.884 1.00 17.42 H new ATOM 0 HD12 LEU A 32 10.170 6.981 16.774 1.00 17.42 H new ATOM 0 HD13 LEU A 32 9.369 7.012 18.364 1.00 17.42 H new ATOM 0 HD21 LEU A 32 8.386 4.104 18.329 1.00 15.89 H new ATOM 0 HD22 LEU A 32 7.414 5.515 18.807 1.00 15.89 H new ATOM 0 HD23 LEU A 32 6.826 4.420 17.534 1.00 15.89 H new ATOM 519 N CYS A 33 5.944 8.613 14.461 1.00 9.68 N ATOM 520 CA CYS A 33 5.248 9.887 14.125 1.00 8.10 C ATOM 521 C CYS A 33 3.770 9.728 14.469 1.00 6.34 C ATOM 522 O CYS A 33 3.293 8.631 14.664 1.00 8.02 O ATOM 523 CB CYS A 33 5.373 10.198 12.627 1.00 8.88 C ATOM 524 SG CYS A 33 5.835 8.712 11.698 1.00 13.84 S ATOM 0 H CYS A 33 5.339 7.794 14.517 1.00 9.68 H new ATOM 0 HA CYS A 33 5.700 10.702 14.690 1.00 8.10 H new ATOM 0 HB2 CYS A 33 4.427 10.588 12.252 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.121 10.976 12.474 1.00 8.88 H new ATOM 0 HG CYS A 33 5.564 7.656 12.406 1.00 13.84 H new ATOM 530 N TYR A 34 3.036 10.801 14.543 1.00 7.35 N ATOM 531 CA TYR A 34 1.591 10.675 14.878 1.00 7.08 C ATOM 532 C TYR A 34 0.737 11.271 13.753 1.00 7.71 C ATOM 533 O TYR A 34 0.697 12.469 13.560 1.00 7.80 O ATOM 534 CB TYR A 34 1.303 11.429 16.172 1.00 8.67 C ATOM 535 CG TYR A 34 1.595 10.548 17.366 1.00 9.11 C ATOM 536 CD1 TYR A 34 0.631 9.638 17.821 1.00 13.61 C ATOM 537 CD2 TYR A 34 2.818 10.664 18.033 1.00 12.44 C ATOM 538 CE1 TYR A 34 0.892 8.848 18.941 1.00 17.22 C ATOM 539 CE2 TYR A 34 3.077 9.874 19.157 1.00 16.38 C ATOM 540 CZ TYR A 34 2.112 8.968 19.611 1.00 16.83 C ATOM 541 OH TYR A 34 2.367 8.189 20.721 1.00 21.14 O ATOM 0 H TYR A 34 3.370 11.752 14.388 1.00 7.35 H new ATOM 0 HA TYR A 34 1.346 9.620 14.998 1.00 7.08 H new ATOM 0 HB2 TYR A 34 1.913 12.331 16.219 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.261 11.747 16.192 1.00 8.67 H new ATOM 0 HD1 TYR A 34 -0.313 9.548 17.305 1.00 13.61 H new ATOM 0 HD2 TYR A 34 3.562 11.363 17.680 1.00 12.44 H new ATOM 0 HE1 TYR A 34 0.151 8.144 19.290 1.00 17.22 H new ATOM 0 HE2 TYR A 34 4.021 9.963 19.674 1.00 16.38 H new ATOM 0 HH TYR A 34 3.260 8.395 21.067 1.00 21.14 H new ATOM 551 N VAL A 35 0.048 10.443 13.016 1.00 9.44 N ATOM 552 CA VAL A 35 -0.810 10.959 11.911 1.00 10.66 C ATOM 553 C VAL A 35 -2.252 11.117 12.414 1.00 10.57 C ATOM 554 O VAL A 35 -2.732 10.329 13.205 1.00 8.31 O ATOM 555 CB VAL A 35 -0.768 9.978 10.738 1.00 10.22 C ATOM 556 CG1 VAL A 35 -1.519 10.580 9.554 1.00 7.97 C ATOM 557 CG2 VAL A 35 0.689 9.722 10.346 1.00 9.86 C ATOM 0 H VAL A 35 0.042 9.430 13.131 1.00 9.44 H new ATOM 0 HA VAL A 35 -0.441 11.930 11.580 1.00 10.66 H new ATOM 0 HB VAL A 35 -1.237 9.037 11.025 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -1.492 9.885 8.715 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -2.555 10.767 9.837 1.00 7.97 H new ATOM 0 HG13 VAL A 35 -1.047 11.518 9.263 1.00 7.97 H new ATOM 0 HG21 VAL A 35 0.724 9.023 9.510 1.00 9.86 H new ATOM 0 HG22 VAL A 35 1.157 10.662 10.053 1.00 9.86 H new ATOM 0 HG23 VAL A 35 1.225 9.299 11.195 1.00 9.86 H new ATOM 567 N ASP A 36 -2.941 12.139 11.974 1.00 8.58 N ATOM 568 CA ASP A 36 -4.340 12.354 12.440 1.00 11.48 C ATOM 569 C ASP A 36 -5.279 12.600 11.249 1.00 12.38 C ATOM 570 O ASP A 36 -6.469 12.372 11.334 1.00 11.89 O ATOM 571 CB ASP A 36 -4.382 13.564 13.376 1.00 16.17 C ATOM 572 CG ASP A 36 -3.220 13.486 14.367 1.00 17.97 C ATOM 573 OD1 ASP A 36 -2.093 13.350 13.919 1.00 15.67 O ATOM 574 OD2 ASP A 36 -3.476 13.563 15.557 1.00 25.89 O ATOM 0 H ASP A 36 -2.593 12.833 11.312 1.00 8.58 H new ATOM 0 HA ASP A 36 -4.673 11.460 12.968 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -4.319 14.486 12.798 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -5.330 13.588 13.913 1.00 16.17 H new ATOM 579 N LEU A 37 -4.762 13.071 10.146 1.00 13.17 N ATOM 580 CA LEU A 37 -5.632 13.341 8.956 1.00 18.47 C ATOM 581 C LEU A 37 -6.593 12.171 8.687 1.00 21.14 C ATOM 582 O LEU A 37 -7.568 12.321 7.977 1.00 24.24 O ATOM 583 CB LEU A 37 -4.780 13.618 7.702 1.00 15.81 C ATOM 584 CG LEU A 37 -3.606 12.634 7.558 1.00 20.59 C ATOM 585 CD1 LEU A 37 -2.386 13.160 8.310 1.00 14.72 C ATOM 586 CD2 LEU A 37 -3.977 11.249 8.082 1.00 20.01 C ATOM 0 H LEU A 37 -3.773 13.282 10.014 1.00 13.17 H new ATOM 0 HA LEU A 37 -6.224 14.228 9.183 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -5.412 13.556 6.816 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.393 14.636 7.747 1.00 15.81 H new ATOM 0 HG LEU A 37 -3.370 12.546 6.497 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -1.561 12.456 8.202 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -2.095 14.127 7.900 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -2.630 13.273 9.366 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -3.127 10.577 7.966 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -4.244 11.318 9.137 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -4.825 10.862 7.518 1.00 20.01 H new ATOM 598 N GLY A 38 -6.349 11.016 9.246 1.00 20.70 N ATOM 599 CA GLY A 38 -7.262 9.871 9.019 1.00 23.91 C ATOM 600 C GLY A 38 -7.813 9.425 10.371 1.00 26.50 C ATOM 601 O GLY A 38 -8.345 8.342 10.517 1.00 31.02 O ATOM 0 H GLY A 38 -5.552 10.821 9.852 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -8.076 10.160 8.353 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -6.731 9.051 8.536 1.00 23.91 H new ATOM 605 N ASN A 39 -7.682 10.264 11.362 1.00 27.64 N ATOM 606 CA ASN A 39 -8.183 9.919 12.716 1.00 30.27 C ATOM 607 C ASN A 39 -7.936 11.105 13.651 1.00 26.79 C ATOM 608 O ASN A 39 -6.808 11.482 13.902 1.00 26.87 O ATOM 609 CB ASN A 39 -7.445 8.683 13.240 1.00 35.62 C ATOM 610 CG ASN A 39 -5.985 8.721 12.782 1.00 41.31 C ATOM 611 OD1 ASN A 39 -5.193 9.480 13.302 1.00 43.23 O ATOM 612 ND2 ASN A 39 -5.593 7.925 11.824 1.00 39.63 N ATOM 0 H ASN A 39 -7.244 11.182 11.287 1.00 27.64 H new ATOM 0 HA ASN A 39 -9.250 9.701 12.672 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -7.494 8.653 14.328 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -7.928 7.777 12.874 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -4.622 7.941 11.513 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -6.258 7.287 11.387 1.00 39.63 H new ATOM 619 N GLU A 40 -8.987 11.699 14.153 1.00 25.15 N ATOM 620 CA GLU A 40 -8.842 12.871 15.066 1.00 23.81 C ATOM 621 C GLU A 40 -7.630 12.681 15.968 1.00 21.12 C ATOM 622 O GLU A 40 -6.671 13.424 15.912 1.00 19.86 O ATOM 623 CB GLU A 40 -10.102 13.005 15.925 1.00 27.22 C ATOM 624 CG GLU A 40 -11.342 12.845 15.043 1.00 34.87 C ATOM 625 CD GLU A 40 -12.004 11.497 15.333 1.00 38.97 C ATOM 626 OE1 GLU A 40 -11.928 11.054 16.468 1.00 39.54 O ATOM 627 OE2 GLU A 40 -12.575 10.930 14.416 1.00 42.34 O ATOM 0 H GLU A 40 -9.950 11.419 13.967 1.00 25.15 H new ATOM 0 HA GLU A 40 -8.706 13.774 14.471 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.101 12.249 16.710 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -10.117 13.977 16.418 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -12.045 13.656 15.235 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -11.063 12.907 13.991 1.00 34.87 H new ATOM 634 N HIS A 41 -7.667 11.682 16.788 1.00 2.31 N ATOM 635 CA HIS A 41 -6.515 11.417 17.695 1.00 1.95 C ATOM 636 C HIS A 41 -5.290 11.098 16.840 1.00 1.21 C ATOM 637 O HIS A 41 -5.426 10.670 15.711 1.00 0.47 O ATOM 638 CB HIS A 41 -6.835 10.223 18.598 1.00 2.71 C ATOM 639 CG HIS A 41 -7.798 10.648 19.671 1.00 1.31 C ATOM 640 ND1 HIS A 41 -8.688 11.696 19.493 1.00 0.83 N ATOM 641 CD2 HIS A 41 -8.023 10.177 20.940 1.00 2.60 C ATOM 642 CE1 HIS A 41 -9.401 11.819 20.628 1.00 1.03 C ATOM 643 NE2 HIS A 41 -9.035 10.917 21.543 1.00 2.86 N ATOM 0 H HIS A 41 -8.446 11.030 16.875 1.00 2.31 H new ATOM 0 HA HIS A 41 -6.321 12.290 18.318 1.00 1.95 H new ATOM 0 HB2 HIS A 41 -7.265 9.413 18.009 1.00 2.71 H new ATOM 0 HB3 HIS A 41 -5.920 9.838 19.048 1.00 2.71 H new ATOM 0 HD2 HIS A 41 -7.494 9.356 21.401 1.00 2.60 H new ATOM 0 HE1 HIS A 41 -10.175 12.557 20.780 1.00 1.03 H new ATOM 0 HE2 HIS A 41 -9.416 10.797 22.482 1.00 2.86 H new ATOM 651 N PRO A 42 -4.126 11.316 17.392 1.00 15.11 N ATOM 652 CA PRO A 42 -2.869 11.058 16.680 1.00 16.08 C ATOM 653 C PRO A 42 -2.567 9.563 16.683 1.00 17.92 C ATOM 654 O PRO A 42 -2.784 8.876 17.662 1.00 17.13 O ATOM 655 CB PRO A 42 -1.826 11.815 17.498 1.00 16.41 C ATOM 656 CG PRO A 42 -2.417 11.968 18.914 1.00 13.79 C ATOM 657 CD PRO A 42 -3.949 11.833 18.765 1.00 16.28 C ATOM 0 HA PRO A 42 -2.894 11.373 15.637 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.883 11.269 17.527 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -1.617 12.789 17.056 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -2.023 11.203 19.584 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -2.152 12.934 19.343 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -4.364 11.150 19.506 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -4.450 12.792 18.899 1.00 16.28 H new ATOM 665 N VAL A 43 -2.059 9.056 15.603 1.00 16.29 N ATOM 666 CA VAL A 43 -1.733 7.610 15.551 1.00 14.28 C ATOM 667 C VAL A 43 -0.223 7.447 15.439 1.00 9.00 C ATOM 668 O VAL A 43 0.386 7.846 14.466 1.00 7.99 O ATOM 669 CB VAL A 43 -2.414 6.961 14.347 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.933 7.021 14.524 1.00 18.07 C ATOM 671 CG2 VAL A 43 -2.018 7.700 13.066 1.00 20.57 C ATOM 0 H VAL A 43 -1.855 9.580 14.752 1.00 16.29 H new ATOM 0 HA VAL A 43 -2.091 7.124 16.458 1.00 14.28 H new ATOM 0 HB VAL A 43 -2.097 5.921 14.273 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -4.418 6.558 13.665 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -4.215 6.487 15.431 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -4.249 8.061 14.602 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -2.506 7.233 12.211 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -2.328 8.742 13.137 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.937 7.651 12.937 1.00 20.57 H new ATOM 681 N LEU A 44 0.388 6.871 16.432 1.00 10.19 N ATOM 682 CA LEU A 44 1.858 6.692 16.392 1.00 11.55 C ATOM 683 C LEU A 44 2.221 5.687 15.300 1.00 10.61 C ATOM 684 O LEU A 44 1.988 4.502 15.425 1.00 13.49 O ATOM 685 CB LEU A 44 2.342 6.183 17.744 1.00 10.60 C ATOM 686 CG LEU A 44 3.853 5.989 17.697 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.522 7.316 17.332 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.349 5.524 19.068 1.00 20.21 C ATOM 0 H LEU A 44 -0.070 6.516 17.271 1.00 10.19 H new ATOM 0 HA LEU A 44 2.337 7.646 16.173 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.079 6.893 18.528 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.850 5.241 17.988 1.00 10.60 H new ATOM 0 HG LEU A 44 4.103 5.238 16.948 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.603 7.181 17.297 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.166 7.647 16.356 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.274 8.067 18.082 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.430 5.385 19.036 1.00 20.21 H new ATOM 0 HD22 LEU A 44 4.102 6.275 19.818 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.869 4.580 19.328 1.00 20.21 H new ATOM 700 N VAL A 45 2.789 6.159 14.227 1.00 10.81 N ATOM 701 CA VAL A 45 3.171 5.242 13.117 1.00 9.29 C ATOM 702 C VAL A 45 4.697 5.159 13.031 1.00 9.95 C ATOM 703 O VAL A 45 5.405 5.977 13.583 1.00 9.36 O ATOM 704 CB VAL A 45 2.599 5.777 11.802 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.391 7.009 11.359 1.00 7.95 C ATOM 706 CG2 VAL A 45 2.694 4.692 10.725 1.00 10.20 C ATOM 0 H VAL A 45 3.006 7.143 14.070 1.00 10.81 H new ATOM 0 HA VAL A 45 2.770 4.246 13.303 1.00 9.29 H new ATOM 0 HB VAL A 45 1.555 6.054 11.948 1.00 4.64 H new ATOM 0 HG11 VAL A 45 2.981 7.388 10.423 1.00 7.95 H new ATOM 0 HG12 VAL A 45 3.320 7.782 12.125 1.00 7.95 H new ATOM 0 HG13 VAL A 45 4.436 6.737 11.214 1.00 7.95 H new ATOM 0 HG21 VAL A 45 2.287 5.073 9.788 1.00 10.20 H new ATOM 0 HG22 VAL A 45 3.738 4.413 10.580 1.00 10.20 H new ATOM 0 HG23 VAL A 45 2.125 3.817 11.039 1.00 10.20 H new ATOM 716 N LYS A 46 5.209 4.168 12.355 1.00 10.76 N ATOM 717 CA LYS A 46 6.689 4.022 12.248 1.00 12.81 C ATOM 718 C LYS A 46 7.230 4.917 11.129 1.00 13.35 C ATOM 719 O LYS A 46 6.506 5.343 10.251 1.00 12.90 O ATOM 720 CB LYS A 46 7.035 2.564 11.942 1.00 17.04 C ATOM 721 CG LYS A 46 6.195 1.642 12.828 1.00 26.60 C ATOM 722 CD LYS A 46 7.112 0.654 13.552 1.00 33.77 C ATOM 723 CE LYS A 46 7.229 1.050 15.025 1.00 34.48 C ATOM 724 NZ LYS A 46 8.223 0.168 15.700 1.00 36.74 N ATOM 0 H LYS A 46 4.667 3.452 11.872 1.00 10.76 H new ATOM 0 HA LYS A 46 7.143 4.320 13.193 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.845 2.347 10.891 1.00 17.04 H new ATOM 0 HB3 LYS A 46 8.096 2.387 12.118 1.00 17.04 H new ATOM 0 HG2 LYS A 46 5.632 2.230 13.553 1.00 26.60 H new ATOM 0 HG3 LYS A 46 5.467 1.102 12.222 1.00 26.60 H new ATOM 0 HD2 LYS A 46 6.714 -0.357 13.467 1.00 33.77 H new ATOM 0 HD3 LYS A 46 8.098 0.649 13.087 1.00 33.77 H new ATOM 0 HE2 LYS A 46 7.536 2.092 15.109 1.00 34.48 H new ATOM 0 HE3 LYS A 46 6.259 0.963 15.514 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 8.302 0.437 16.701 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 7.912 -0.822 15.631 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 9.149 0.272 15.239 1.00 36.74 H new ATOM 738 N ILE A 47 8.506 5.197 11.158 1.00 13.96 N ATOM 739 CA ILE A 47 9.116 6.054 10.108 1.00 16.93 C ATOM 740 C ILE A 47 10.617 5.743 10.026 1.00 16.52 C ATOM 741 O ILE A 47 11.345 5.895 10.987 1.00 17.67 O ATOM 742 CB ILE A 47 8.887 7.532 10.466 1.00 19.74 C ATOM 743 CG1 ILE A 47 8.844 8.372 9.190 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.006 8.046 11.372 1.00 18.08 C ATOM 745 CD1 ILE A 47 10.004 7.984 8.276 1.00 18.26 C ATOM 0 H ILE A 47 9.154 4.864 11.872 1.00 13.96 H new ATOM 0 HA ILE A 47 8.658 5.855 9.139 1.00 16.93 H new ATOM 0 HB ILE A 47 7.938 7.616 10.995 1.00 19.74 H new ATOM 0 HG12 ILE A 47 7.896 8.219 8.675 1.00 19.39 H new ATOM 0 HG13 ILE A 47 8.904 9.432 9.439 1.00 19.39 H new ATOM 0 HG21 ILE A 47 9.826 9.093 11.614 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.028 7.460 12.291 1.00 18.08 H new ATOM 0 HG23 ILE A 47 10.963 7.952 10.858 1.00 18.08 H new ATOM 0 HD11 ILE A 47 9.969 8.586 7.368 1.00 18.26 H new ATOM 0 HD12 ILE A 47 10.948 8.160 8.792 1.00 18.26 H new ATOM 0 HD13 ILE A 47 9.924 6.929 8.015 1.00 18.26 H new ATOM 757 N THR A 48 11.085 5.299 8.893 1.00 16.86 N ATOM 758 CA THR A 48 12.534 4.974 8.767 1.00 16.59 C ATOM 759 C THR A 48 13.371 6.226 9.042 1.00 19.04 C ATOM 760 O THR A 48 12.911 7.339 8.893 1.00 22.56 O ATOM 761 CB THR A 48 12.822 4.467 7.353 1.00 16.30 C ATOM 762 OG1 THR A 48 11.702 3.734 6.878 1.00 17.90 O ATOM 763 CG2 THR A 48 14.056 3.564 7.373 1.00 16.02 C ATOM 0 H THR A 48 10.529 5.147 8.051 1.00 16.86 H new ATOM 0 HA THR A 48 12.794 4.202 9.491 1.00 16.59 H new ATOM 0 HB THR A 48 13.008 5.315 6.693 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.932 2.783 6.824 1.00 17.90 H new ATOM 0 HG21 THR A 48 14.260 3.204 6.365 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.914 4.129 7.737 1.00 16.02 H new ATOM 0 HG23 THR A 48 13.875 2.715 8.032 1.00 16.02 H new ATOM 771 N LEU A 49 14.598 6.044 9.443 1.00 18.35 N ATOM 772 CA LEU A 49 15.480 7.208 9.736 1.00 18.82 C ATOM 773 C LEU A 49 16.829 6.997 9.044 1.00 20.06 C ATOM 774 O LEU A 49 17.605 6.142 9.422 1.00 18.35 O ATOM 775 CB LEU A 49 15.687 7.314 11.256 1.00 18.79 C ATOM 776 CG LEU A 49 15.637 8.776 11.699 1.00 18.24 C ATOM 777 CD1 LEU A 49 16.906 9.496 11.237 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.408 9.462 11.095 1.00 14.50 C ATOM 0 H LEU A 49 15.031 5.131 9.581 1.00 18.35 H new ATOM 0 HA LEU A 49 15.022 8.127 9.369 1.00 18.82 H new ATOM 0 HB2 LEU A 49 14.917 6.743 11.775 1.00 18.79 H new ATOM 0 HB3 LEU A 49 16.647 6.877 11.530 1.00 18.79 H new ATOM 0 HG LEU A 49 15.571 8.818 12.786 1.00 18.24 H new ATOM 0 HD11 LEU A 49 16.869 10.538 11.554 1.00 20.41 H new ATOM 0 HD12 LEU A 49 17.779 9.014 11.678 1.00 20.41 H new ATOM 0 HD13 LEU A 49 16.976 9.449 10.150 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.379 10.504 11.415 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.464 9.418 10.007 1.00 14.50 H new ATOM 0 HD23 LEU A 49 13.505 8.953 11.432 1.00 14.50 H new ATOM 790 N ASP A 50 17.112 7.765 8.026 1.00 22.62 N ATOM 791 CA ASP A 50 18.406 7.602 7.305 1.00 27.04 C ATOM 792 C ASP A 50 19.564 7.929 8.247 1.00 27.73 C ATOM 793 O ASP A 50 19.462 8.790 9.099 1.00 26.65 O ATOM 794 CB ASP A 50 18.443 8.549 6.103 1.00 29.11 C ATOM 795 CG ASP A 50 18.540 7.733 4.812 1.00 30.37 C ATOM 796 OD1 ASP A 50 19.513 7.012 4.663 1.00 33.99 O ATOM 797 OD2 ASP A 50 17.641 7.845 3.996 1.00 30.76 O ATOM 0 H ASP A 50 16.503 8.498 7.663 1.00 22.62 H new ATOM 0 HA ASP A 50 18.500 6.572 6.961 1.00 27.04 H new ATOM 0 HB2 ASP A 50 17.546 9.169 6.087 1.00 29.11 H new ATOM 0 HB3 ASP A 50 19.295 9.223 6.184 1.00 29.11 H new ATOM 802 N GLU A 51 20.668 7.248 8.101 1.00 31.16 N ATOM 803 CA GLU A 51 21.834 7.517 8.984 1.00 34.22 C ATOM 804 C GLU A 51 22.023 9.022 9.140 1.00 34.98 C ATOM 805 O GLU A 51 21.513 9.635 10.057 1.00 34.19 O ATOM 806 CB GLU A 51 23.091 6.902 8.363 1.00 38.24 C ATOM 807 CG GLU A 51 24.319 7.346 9.156 1.00 46.84 C ATOM 808 CD GLU A 51 25.587 6.984 8.381 1.00 51.38 C ATOM 809 OE1 GLU A 51 25.823 7.595 7.352 1.00 53.83 O ATOM 810 OE2 GLU A 51 26.301 6.102 8.829 1.00 54.92 O ATOM 0 H GLU A 51 20.811 6.515 7.406 1.00 31.16 H new ATOM 0 HA GLU A 51 21.658 7.075 9.965 1.00 34.22 H new ATOM 0 HB2 GLU A 51 23.016 5.815 8.366 1.00 38.24 H new ATOM 0 HB3 GLU A 51 23.185 7.212 7.322 1.00 38.24 H new ATOM 0 HG2 GLU A 51 24.282 8.421 9.332 1.00 46.84 H new ATOM 0 HG3 GLU A 51 24.328 6.864 10.133 1.00 46.84 H new ATOM 817 N GLY A 52 22.756 9.614 8.248 1.00 34.53 N ATOM 818 CA GLY A 52 22.997 11.086 8.322 1.00 34.93 C ATOM 819 C GLY A 52 21.705 11.806 8.715 1.00 36.10 C ATOM 820 O GLY A 52 21.720 12.752 9.477 1.00 35.97 O ATOM 0 H GLY A 52 23.205 9.143 7.462 1.00 34.53 H new ATOM 0 HA2 GLY A 52 23.779 11.299 9.051 1.00 34.93 H new ATOM 0 HA3 GLY A 52 23.350 11.454 7.359 1.00 34.93 H new ATOM 824 N GLN A 53 20.585 11.369 8.204 1.00 36.52 N ATOM 825 CA GLN A 53 19.302 12.036 8.556 1.00 35.40 C ATOM 826 C GLN A 53 19.032 11.859 10.057 1.00 31.02 C ATOM 827 O GLN A 53 19.034 10.750 10.551 1.00 29.05 O ATOM 828 CB GLN A 53 18.163 11.397 7.759 1.00 41.20 C ATOM 829 CG GLN A 53 17.409 12.482 6.992 1.00 47.61 C ATOM 830 CD GLN A 53 15.909 12.357 7.269 1.00 53.32 C ATOM 831 OE1 GLN A 53 15.373 11.266 7.291 1.00 53.91 O ATOM 832 NE2 GLN A 53 15.205 13.434 7.483 1.00 54.76 N ATOM 0 H GLN A 53 20.505 10.582 7.560 1.00 36.52 H new ATOM 0 HA GLN A 53 19.365 13.098 8.318 1.00 35.40 H new ATOM 0 HB2 GLN A 53 18.561 10.656 7.066 1.00 41.20 H new ATOM 0 HB3 GLN A 53 17.484 10.873 8.431 1.00 41.20 H new ATOM 0 HG2 GLN A 53 17.764 13.468 7.293 1.00 47.61 H new ATOM 0 HG3 GLN A 53 17.601 12.387 5.923 1.00 47.61 H new ATOM 0 HE21 GLN A 53 15.655 14.349 7.465 1.00 54.76 H new ATOM 0 HE22 GLN A 53 14.205 13.361 7.669 1.00 54.76 H new ATOM 841 N PRO A 54 18.808 12.955 10.741 1.00 27.43 N ATOM 842 CA PRO A 54 18.533 12.940 12.188 1.00 23.44 C ATOM 843 C PRO A 54 17.073 12.559 12.450 1.00 20.14 C ATOM 844 O PRO A 54 16.188 12.910 11.695 1.00 21.64 O ATOM 845 CB PRO A 54 18.804 14.379 12.622 1.00 24.39 C ATOM 846 CG PRO A 54 18.662 15.248 11.355 1.00 27.18 C ATOM 847 CD PRO A 54 18.811 14.306 10.147 1.00 28.37 C ATOM 0 HA PRO A 54 19.140 12.215 12.731 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.097 14.693 13.390 1.00 24.39 H new ATOM 0 HB3 PRO A 54 19.802 14.475 13.049 1.00 24.39 H new ATOM 0 HG2 PRO A 54 17.694 15.749 11.337 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.424 16.027 11.334 1.00 27.18 H new ATOM 0 HD2 PRO A 54 17.991 14.432 9.440 1.00 28.37 H new ATOM 0 HD3 PRO A 54 19.735 14.500 9.602 1.00 28.37 H new ATOM 855 N ALA A 55 16.817 11.842 13.513 1.00 17.21 N ATOM 856 CA ALA A 55 15.419 11.436 13.828 1.00 15.58 C ATOM 857 C ALA A 55 14.457 12.589 13.538 1.00 16.41 C ATOM 858 O ALA A 55 14.785 13.745 13.714 1.00 13.65 O ATOM 859 CB ALA A 55 15.329 11.067 15.306 1.00 13.98 C ATOM 0 H ALA A 55 17.520 11.520 14.178 1.00 17.21 H new ATOM 0 HA ALA A 55 15.146 10.581 13.210 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.308 10.768 15.545 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.008 10.240 15.517 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.607 11.928 15.914 1.00 13.98 H new ATOM 865 N TYR A 56 13.266 12.281 13.101 1.00 15.93 N ATOM 866 CA TYR A 56 12.279 13.355 12.807 1.00 14.61 C ATOM 867 C TYR A 56 12.128 14.252 14.039 1.00 15.51 C ATOM 868 O TYR A 56 11.613 13.842 15.059 1.00 17.19 O ATOM 869 CB TYR A 56 10.931 12.722 12.443 1.00 12.92 C ATOM 870 CG TYR A 56 11.081 11.979 11.131 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.597 10.678 11.124 1.00 12.42 C ATOM 872 CD2 TYR A 56 10.726 12.597 9.927 1.00 7.14 C ATOM 873 CE1 TYR A 56 11.755 9.996 9.914 1.00 11.47 C ATOM 874 CE2 TYR A 56 10.886 11.914 8.716 1.00 7.90 C ATOM 875 CZ TYR A 56 11.400 10.613 8.710 1.00 10.29 C ATOM 876 OH TYR A 56 11.562 9.942 7.516 1.00 12.03 O ATOM 0 H TYR A 56 12.935 11.331 12.935 1.00 15.93 H new ATOM 0 HA TYR A 56 12.624 13.958 11.967 1.00 14.61 H new ATOM 0 HB2 TYR A 56 10.610 12.039 13.229 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.164 13.491 12.356 1.00 12.92 H new ATOM 0 HD1 TYR A 56 11.873 10.201 12.053 1.00 12.42 H new ATOM 0 HD2 TYR A 56 10.328 13.601 9.932 1.00 7.14 H new ATOM 0 HE1 TYR A 56 12.152 8.991 9.909 1.00 11.47 H new ATOM 0 HE2 TYR A 56 10.613 12.391 7.786 1.00 7.90 H new ATOM 0 HH TYR A 56 11.266 10.513 6.777 1.00 12.03 H new ATOM 886 N ALA A 57 12.583 15.473 13.949 1.00 13.38 N ATOM 887 CA ALA A 57 12.477 16.408 15.106 1.00 14.95 C ATOM 888 C ALA A 57 11.000 16.722 15.378 1.00 15.46 C ATOM 889 O ALA A 57 10.128 16.209 14.706 1.00 17.82 O ATOM 890 CB ALA A 57 13.225 17.699 14.772 1.00 14.98 C ATOM 0 H ALA A 57 13.026 15.865 13.118 1.00 13.38 H new ATOM 0 HA ALA A 57 12.914 15.950 15.993 1.00 14.95 H new ATOM 0 HB1 ALA A 57 13.153 18.389 15.613 1.00 14.98 H new ATOM 0 HB2 ALA A 57 14.273 17.472 14.578 1.00 14.98 H new ATOM 0 HB3 ALA A 57 12.783 18.157 13.887 1.00 14.98 H new ATOM 896 N PRO A 58 10.763 17.557 16.362 1.00 15.20 N ATOM 897 CA PRO A 58 9.398 17.958 16.749 1.00 16.55 C ATOM 898 C PRO A 58 8.850 19.009 15.779 1.00 16.75 C ATOM 899 O PRO A 58 9.507 19.981 15.462 1.00 17.28 O ATOM 900 CB PRO A 58 9.580 18.541 18.153 1.00 15.65 C ATOM 901 CG PRO A 58 11.065 18.960 18.265 1.00 14.16 C ATOM 902 CD PRO A 58 11.828 18.178 17.179 1.00 13.96 C ATOM 0 HA PRO A 58 8.686 17.133 16.727 1.00 16.55 H new ATOM 0 HB2 PRO A 58 8.923 19.397 18.306 1.00 15.65 H new ATOM 0 HB3 PRO A 58 9.326 17.804 18.915 1.00 15.65 H new ATOM 0 HG2 PRO A 58 11.176 20.034 18.119 1.00 14.16 H new ATOM 0 HG3 PRO A 58 11.458 18.731 19.255 1.00 14.16 H new ATOM 0 HD2 PRO A 58 12.456 18.838 16.580 1.00 13.96 H new ATOM 0 HD3 PRO A 58 12.484 17.425 17.617 1.00 13.96 H new ATOM 910 N GLY A 59 7.650 18.816 15.304 1.00 17.22 N ATOM 911 CA GLY A 59 7.052 19.794 14.351 1.00 15.08 C ATOM 912 C GLY A 59 6.018 19.078 13.480 1.00 14.96 C ATOM 913 O GLY A 59 6.201 17.942 13.110 1.00 13.79 O ATOM 0 H GLY A 59 7.056 18.020 15.536 1.00 17.22 H new ATOM 0 HA2 GLY A 59 6.582 20.612 14.897 1.00 15.08 H new ATOM 0 HA3 GLY A 59 7.830 20.234 13.726 1.00 15.08 H new ATOM 917 N LEU A 60 4.933 19.724 13.150 1.00 15.83 N ATOM 918 CA LEU A 60 3.905 19.054 12.304 1.00 14.53 C ATOM 919 C LEU A 60 4.591 18.328 11.147 1.00 14.15 C ATOM 920 O LEU A 60 5.528 18.829 10.558 1.00 13.27 O ATOM 921 CB LEU A 60 2.939 20.102 11.753 1.00 15.84 C ATOM 922 CG LEU A 60 1.643 20.053 12.559 1.00 16.91 C ATOM 923 CD1 LEU A 60 1.886 20.632 13.955 1.00 19.57 C ATOM 924 CD2 LEU A 60 0.565 20.872 11.845 1.00 15.01 C ATOM 0 H LEU A 60 4.715 20.681 13.428 1.00 15.83 H new ATOM 0 HA LEU A 60 3.352 18.332 12.905 1.00 14.53 H new ATOM 0 HB2 LEU A 60 3.384 21.095 11.816 1.00 15.84 H new ATOM 0 HB3 LEU A 60 2.735 19.910 10.700 1.00 15.84 H new ATOM 0 HG LEU A 60 1.311 19.019 12.649 1.00 16.91 H new ATOM 0 HD11 LEU A 60 0.960 20.597 14.530 1.00 19.57 H new ATOM 0 HD12 LEU A 60 2.652 20.046 14.464 1.00 19.57 H new ATOM 0 HD13 LEU A 60 2.219 21.666 13.867 1.00 19.57 H new ATOM 0 HD21 LEU A 60 -0.360 20.837 12.421 1.00 15.01 H new ATOM 0 HD22 LEU A 60 0.896 21.907 11.753 1.00 15.01 H new ATOM 0 HD23 LEU A 60 0.390 20.457 10.852 1.00 15.01 H new ATOM 936 N TYR A 61 4.144 17.143 10.822 1.00 11.12 N ATOM 937 CA TYR A 61 4.792 16.396 9.713 1.00 9.57 C ATOM 938 C TYR A 61 3.817 16.113 8.591 1.00 11.76 C ATOM 939 O TYR A 61 2.617 16.198 8.734 1.00 11.26 O ATOM 940 CB TYR A 61 5.367 15.079 10.224 1.00 9.42 C ATOM 941 CG TYR A 61 6.751 15.359 10.717 1.00 10.29 C ATOM 942 CD1 TYR A 61 6.945 15.797 12.027 1.00 10.68 C ATOM 943 CD2 TYR A 61 7.836 15.226 9.849 1.00 10.26 C ATOM 944 CE1 TYR A 61 8.230 16.101 12.475 1.00 13.03 C ATOM 945 CE2 TYR A 61 9.122 15.534 10.292 1.00 13.99 C ATOM 946 CZ TYR A 61 9.317 15.971 11.604 1.00 11.06 C ATOM 947 OH TYR A 61 10.587 16.273 12.046 1.00 14.61 O ATOM 0 H TYR A 61 3.364 16.666 11.275 1.00 11.12 H new ATOM 0 HA TYR A 61 5.596 17.022 9.325 1.00 9.57 H new ATOM 0 HB2 TYR A 61 4.748 14.675 11.025 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.386 14.334 9.429 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.101 15.901 12.693 1.00 10.68 H new ATOM 0 HD2 TYR A 61 7.680 14.885 8.836 1.00 10.26 H new ATOM 0 HE1 TYR A 61 8.385 16.435 13.490 1.00 13.03 H new ATOM 0 HE2 TYR A 61 9.964 15.435 9.623 1.00 13.99 H new ATOM 0 HH TYR A 61 10.554 16.514 12.995 1.00 14.61 H new ATOM 957 N THR A 62 4.357 15.761 7.472 1.00 12.22 N ATOM 958 CA THR A 62 3.533 15.435 6.300 1.00 14.26 C ATOM 959 C THR A 62 4.261 14.340 5.554 1.00 15.40 C ATOM 960 O THR A 62 5.410 14.487 5.186 1.00 16.24 O ATOM 961 CB THR A 62 3.380 16.659 5.408 1.00 15.07 C ATOM 962 OG1 THR A 62 4.643 17.005 4.856 1.00 18.36 O ATOM 963 CG2 THR A 62 2.844 17.821 6.240 1.00 11.61 C ATOM 0 H THR A 62 5.363 15.684 7.320 1.00 12.22 H new ATOM 0 HA THR A 62 2.535 15.115 6.599 1.00 14.26 H new ATOM 0 HB THR A 62 2.684 16.440 4.598 1.00 15.07 H new ATOM 0 HG1 THR A 62 5.093 17.647 5.445 1.00 18.36 H new ATOM 0 HG21 THR A 62 2.732 18.701 5.607 1.00 11.61 H new ATOM 0 HG22 THR A 62 1.875 17.551 6.660 1.00 11.61 H new ATOM 0 HG23 THR A 62 3.541 18.042 7.048 1.00 11.61 H new ATOM 971 N VAL A 63 3.631 13.235 5.349 1.00 14.65 N ATOM 972 CA VAL A 63 4.336 12.144 4.650 1.00 15.17 C ATOM 973 C VAL A 63 4.734 12.629 3.264 1.00 14.24 C ATOM 974 O VAL A 63 4.231 13.618 2.770 1.00 19.13 O ATOM 975 CB VAL A 63 3.453 10.910 4.553 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.349 9.679 4.461 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.571 10.805 5.803 1.00 18.64 C ATOM 0 H VAL A 63 2.670 13.038 5.630 1.00 14.65 H new ATOM 0 HA VAL A 63 5.229 11.868 5.211 1.00 15.17 H new ATOM 0 HB VAL A 63 2.815 10.979 3.672 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.731 8.784 4.391 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.981 9.754 3.576 1.00 14.85 H new ATOM 0 HG13 VAL A 63 4.976 9.618 5.350 1.00 14.85 H new ATOM 0 HG21 VAL A 63 1.940 9.919 5.730 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.202 10.728 6.688 1.00 18.64 H new ATOM 0 HG23 VAL A 63 1.943 11.693 5.881 1.00 18.64 H new ATOM 987 N HIS A 64 5.645 11.952 2.641 1.00 13.31 N ATOM 988 CA HIS A 64 6.093 12.383 1.293 1.00 10.78 C ATOM 989 C HIS A 64 5.838 11.257 0.294 1.00 14.19 C ATOM 990 O HIS A 64 6.204 10.117 0.523 1.00 11.59 O ATOM 991 CB HIS A 64 7.589 12.706 1.338 1.00 11.86 C ATOM 992 CG HIS A 64 7.926 13.720 0.279 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.381 13.671 -0.995 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.771 14.804 0.281 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.902 14.686 -1.701 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.755 15.412 -0.972 1.00 20.65 N ATOM 0 H HIS A 64 6.102 11.116 3.005 1.00 13.31 H new ATOM 0 HA HIS A 64 5.541 13.271 0.985 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.857 13.092 2.322 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.171 11.798 1.182 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.358 15.134 1.125 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.661 14.892 -2.734 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.281 16.234 -1.269 1.00 20.65 H new ATOM 1004 N LEU A 65 5.217 11.565 -0.815 1.00 12.93 N ATOM 1005 CA LEU A 65 4.940 10.517 -1.831 1.00 14.44 C ATOM 1006 C LEU A 65 6.237 10.134 -2.549 1.00 12.66 C ATOM 1007 O LEU A 65 6.236 9.306 -3.438 1.00 10.20 O ATOM 1008 CB LEU A 65 3.921 11.039 -2.844 1.00 14.94 C ATOM 1009 CG LEU A 65 4.610 11.972 -3.815 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.730 11.276 -5.170 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.796 13.256 -3.958 1.00 19.03 C ATOM 0 H LEU A 65 4.891 12.500 -1.058 1.00 12.93 H new ATOM 0 HA LEU A 65 4.534 9.635 -1.335 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.468 10.207 -3.382 1.00 14.94 H new ATOM 0 HB3 LEU A 65 3.115 11.562 -2.329 1.00 14.94 H new ATOM 0 HG LEU A 65 5.604 12.225 -3.445 1.00 19.65 H new ATOM 0 HD11 LEU A 65 5.226 11.941 -5.878 1.00 15.75 H new ATOM 0 HD12 LEU A 65 5.314 10.363 -5.059 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.736 11.028 -5.541 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.294 13.927 -4.658 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.801 13.016 -4.332 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.711 13.743 -2.987 1.00 19.03 H new ATOM 1023 N SER A 66 7.351 10.699 -2.158 1.00 13.51 N ATOM 1024 CA SER A 66 8.625 10.320 -2.814 1.00 10.39 C ATOM 1025 C SER A 66 8.767 8.805 -2.678 1.00 8.56 C ATOM 1026 O SER A 66 9.515 8.164 -3.389 1.00 11.70 O ATOM 1027 CB SER A 66 9.793 11.014 -2.112 1.00 12.88 C ATOM 1028 OG SER A 66 10.897 10.121 -2.044 1.00 14.72 O ATOM 0 H SER A 66 7.427 11.399 -1.420 1.00 13.51 H new ATOM 0 HA SER A 66 8.628 10.619 -3.862 1.00 10.39 H new ATOM 0 HB2 SER A 66 10.074 11.917 -2.654 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.498 11.323 -1.109 1.00 12.88 H new ATOM 0 HG SER A 66 11.648 10.563 -1.596 1.00 14.72 H new ATOM 1034 N SER A 67 8.041 8.239 -1.747 1.00 7.98 N ATOM 1035 CA SER A 67 8.100 6.774 -1.518 1.00 8.20 C ATOM 1036 C SER A 67 6.956 6.070 -2.261 1.00 11.02 C ATOM 1037 O SER A 67 6.879 4.857 -2.282 1.00 11.45 O ATOM 1038 CB SER A 67 7.970 6.502 -0.021 1.00 8.01 C ATOM 1039 OG SER A 67 8.669 7.508 0.700 1.00 11.22 O ATOM 0 H SER A 67 7.403 8.742 -1.130 1.00 7.98 H new ATOM 0 HA SER A 67 9.050 6.391 -1.891 1.00 8.20 H new ATOM 0 HB2 SER A 67 6.919 6.494 0.269 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.375 5.519 0.218 1.00 8.01 H new ATOM 0 HG SER A 67 9.158 7.098 1.444 1.00 11.22 H new ATOM 1045 N PHE A 68 6.055 6.811 -2.855 1.00 10.09 N ATOM 1046 CA PHE A 68 4.914 6.162 -3.568 1.00 11.79 C ATOM 1047 C PHE A 68 5.318 5.824 -5.004 1.00 12.69 C ATOM 1048 O PHE A 68 6.270 6.358 -5.538 1.00 14.25 O ATOM 1049 CB PHE A 68 3.708 7.112 -3.599 1.00 10.08 C ATOM 1050 CG PHE A 68 3.429 7.662 -2.217 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.109 7.165 -1.093 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.505 8.702 -2.067 1.00 12.12 C ATOM 1053 CE1 PHE A 68 3.861 7.712 0.169 1.00 9.89 C ATOM 1054 CE2 PHE A 68 2.263 9.249 -0.805 1.00 10.35 C ATOM 1055 CZ PHE A 68 2.942 8.755 0.311 1.00 11.87 C ATOM 0 H PHE A 68 6.060 7.831 -2.877 1.00 10.09 H new ATOM 0 HA PHE A 68 4.647 5.247 -3.039 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.902 7.932 -4.291 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.830 6.583 -3.970 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.822 6.362 -1.204 1.00 10.16 H new ATOM 0 HD2 PHE A 68 1.978 9.083 -2.929 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.380 7.328 1.035 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.551 10.053 -0.692 1.00 10.35 H new ATOM 0 HZ PHE A 68 2.756 9.180 1.286 1.00 11.87 H new ATOM 1065 N LYS A 69 4.589 4.943 -5.632 1.00 12.51 N ATOM 1066 CA LYS A 69 4.907 4.563 -7.037 1.00 15.38 C ATOM 1067 C LYS A 69 3.602 4.293 -7.788 1.00 15.02 C ATOM 1068 O LYS A 69 2.557 4.124 -7.192 1.00 15.36 O ATOM 1069 CB LYS A 69 5.771 3.297 -7.055 1.00 16.04 C ATOM 1070 CG LYS A 69 6.608 3.222 -5.776 1.00 20.35 C ATOM 1071 CD LYS A 69 7.526 1.998 -5.837 1.00 21.35 C ATOM 1072 CE LYS A 69 6.680 0.729 -5.955 1.00 30.24 C ATOM 1073 NZ LYS A 69 7.520 -0.461 -5.638 1.00 32.70 N ATOM 0 H LYS A 69 3.782 4.467 -5.229 1.00 12.51 H new ATOM 0 HA LYS A 69 5.454 5.375 -7.516 1.00 15.38 H new ATOM 0 HB2 LYS A 69 5.137 2.414 -7.138 1.00 16.04 H new ATOM 0 HB3 LYS A 69 6.424 3.304 -7.928 1.00 16.04 H new ATOM 0 HG2 LYS A 69 7.201 4.129 -5.663 1.00 20.35 H new ATOM 0 HG3 LYS A 69 5.956 3.157 -4.905 1.00 20.35 H new ATOM 0 HD2 LYS A 69 8.200 2.078 -6.690 1.00 21.35 H new ATOM 0 HD3 LYS A 69 8.147 1.951 -4.943 1.00 21.35 H new ATOM 0 HE2 LYS A 69 5.831 0.780 -5.273 1.00 30.24 H new ATOM 0 HE3 LYS A 69 6.274 0.642 -6.963 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 6.964 -1.327 -5.784 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 8.352 -0.475 -6.262 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 7.831 -0.412 -4.647 1.00 32.70 H new ATOM 1087 N VAL A 70 3.652 4.245 -9.091 1.00 13.65 N ATOM 1088 CA VAL A 70 2.412 3.979 -9.873 1.00 13.49 C ATOM 1089 C VAL A 70 2.602 2.719 -10.718 1.00 11.85 C ATOM 1090 O VAL A 70 3.574 2.579 -11.433 1.00 12.13 O ATOM 1091 CB VAL A 70 2.114 5.163 -10.788 1.00 14.48 C ATOM 1092 CG1 VAL A 70 0.615 5.209 -11.093 1.00 14.02 C ATOM 1093 CG2 VAL A 70 2.537 6.463 -10.098 1.00 15.63 C ATOM 0 H VAL A 70 4.497 4.378 -9.647 1.00 13.65 H new ATOM 0 HA VAL A 70 1.578 3.836 -9.186 1.00 13.49 H new ATOM 0 HB VAL A 70 2.670 5.050 -11.719 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.402 6.055 -11.747 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.316 4.285 -11.587 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.058 5.320 -10.163 1.00 14.02 H new ATOM 0 HG21 VAL A 70 2.324 7.308 -10.752 1.00 15.63 H new ATOM 0 HG22 VAL A 70 1.984 6.577 -9.166 1.00 15.63 H new ATOM 0 HG23 VAL A 70 3.605 6.430 -9.884 1.00 15.63 H new ATOM 1103 N GLY A 71 1.681 1.799 -10.638 1.00 11.15 N ATOM 1104 CA GLY A 71 1.806 0.545 -11.433 1.00 11.07 C ATOM 1105 C GLY A 71 0.916 -0.536 -10.818 1.00 12.15 C ATOM 1106 O GLY A 71 -0.094 -0.246 -10.209 1.00 12.70 O ATOM 0 H GLY A 71 0.846 1.861 -10.056 1.00 11.15 H new ATOM 0 HA2 GLY A 71 1.515 0.726 -12.468 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.844 0.212 -11.448 1.00 11.07 H new ATOM 1110 N GLN A 72 1.280 -1.779 -10.972 1.00 15.78 N ATOM 1111 CA GLN A 72 0.449 -2.871 -10.394 1.00 19.42 C ATOM 1112 C GLN A 72 -1.000 -2.692 -10.844 1.00 16.97 C ATOM 1113 O GLN A 72 -1.870 -2.370 -10.059 1.00 20.46 O ATOM 1114 CB GLN A 72 0.521 -2.815 -8.867 1.00 22.64 C ATOM 1115 CG GLN A 72 0.630 -4.234 -8.307 1.00 25.29 C ATOM 1116 CD GLN A 72 -0.651 -5.008 -8.621 1.00 26.29 C ATOM 1117 OE1 GLN A 72 -1.713 -4.669 -8.136 1.00 26.22 O ATOM 1118 NE2 GLN A 72 -0.598 -6.039 -9.418 1.00 25.15 N ATOM 0 H GLN A 72 2.115 -2.085 -11.472 1.00 15.78 H new ATOM 0 HA GLN A 72 0.822 -3.836 -10.737 1.00 19.42 H new ATOM 0 HB2 GLN A 72 1.381 -2.223 -8.555 1.00 22.64 H new ATOM 0 HB3 GLN A 72 -0.366 -2.323 -8.469 1.00 22.64 H new ATOM 0 HG2 GLN A 72 1.490 -4.743 -8.742 1.00 25.29 H new ATOM 0 HG3 GLN A 72 0.791 -4.199 -7.230 1.00 25.29 H new ATOM 0 HE21 GLN A 72 0.293 -6.324 -9.825 1.00 25.15 H new ATOM 0 HE22 GLN A 72 -1.447 -6.561 -9.634 1.00 25.15 H new ATOM 1127 N PHE A 73 -1.264 -2.892 -12.105 1.00 14.56 N ATOM 1128 CA PHE A 73 -2.656 -2.726 -12.610 1.00 14.60 C ATOM 1129 C PHE A 73 -3.021 -1.241 -12.612 1.00 15.63 C ATOM 1130 O PHE A 73 -4.143 -0.867 -12.888 1.00 17.80 O ATOM 1131 CB PHE A 73 -3.622 -3.488 -11.700 1.00 12.63 C ATOM 1132 CG PHE A 73 -4.247 -4.621 -12.474 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -3.465 -5.710 -12.877 1.00 16.27 C ATOM 1134 CD2 PHE A 73 -5.611 -4.585 -12.789 1.00 19.79 C ATOM 1135 CE1 PHE A 73 -4.045 -6.762 -13.595 1.00 20.44 C ATOM 1136 CE2 PHE A 73 -6.192 -5.637 -13.507 1.00 18.68 C ATOM 1137 CZ PHE A 73 -5.409 -6.726 -13.910 1.00 17.88 C ATOM 0 H PHE A 73 -0.576 -3.163 -12.808 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.726 -3.120 -13.624 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -3.091 -3.876 -10.830 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -4.396 -2.816 -11.328 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -2.413 -5.738 -12.634 1.00 16.27 H new ATOM 0 HD2 PHE A 73 -6.215 -3.745 -12.478 1.00 19.79 H new ATOM 0 HE1 PHE A 73 -3.441 -7.601 -13.906 1.00 20.44 H new ATOM 0 HE2 PHE A 73 -7.244 -5.609 -13.750 1.00 18.68 H new ATOM 0 HZ PHE A 73 -5.857 -7.538 -14.464 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.080 -0.391 -12.305 1.00 13.82 N ATOM 1148 CA GLY A 74 -2.369 1.070 -12.289 1.00 13.44 C ATOM 1149 C GLY A 74 -2.915 1.468 -10.917 1.00 10.42 C ATOM 1150 O GLY A 74 -3.900 2.172 -10.811 1.00 13.62 O ATOM 0 H GLY A 74 -1.122 -0.646 -12.064 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -1.462 1.633 -12.508 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -3.093 1.317 -13.066 1.00 13.44 H new ATOM 1154 N SER A 75 -2.285 1.021 -9.865 1.00 12.64 N ATOM 1155 CA SER A 75 -2.772 1.374 -8.501 1.00 12.47 C ATOM 1156 C SER A 75 -1.637 2.017 -7.700 1.00 12.47 C ATOM 1157 O SER A 75 -0.632 1.394 -7.420 1.00 11.32 O ATOM 1158 CB SER A 75 -3.244 0.108 -7.786 1.00 11.21 C ATOM 1159 OG SER A 75 -4.423 -0.376 -8.417 1.00 18.27 O ATOM 0 H SER A 75 -1.456 0.428 -9.891 1.00 12.64 H new ATOM 0 HA SER A 75 -3.600 2.078 -8.584 1.00 12.47 H new ATOM 0 HB2 SER A 75 -2.464 -0.652 -7.815 1.00 11.21 H new ATOM 0 HB3 SER A 75 -3.441 0.322 -6.736 1.00 11.21 H new ATOM 0 HG SER A 75 -4.727 -1.189 -7.962 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.792 3.258 -7.324 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.723 3.936 -6.537 1.00 12.18 C ATOM 1167 C LEU A 76 -0.488 3.161 -5.239 1.00 12.07 C ATOM 1168 O LEU A 76 -1.398 2.583 -4.680 1.00 9.82 O ATOM 1169 CB LEU A 76 -1.159 5.366 -6.207 1.00 11.99 C ATOM 1170 CG LEU A 76 0.061 6.191 -5.797 1.00 8.87 C ATOM 1171 CD1 LEU A 76 0.142 7.450 -6.663 1.00 9.28 C ATOM 1172 CD2 LEU A 76 -0.068 6.591 -4.324 1.00 7.80 C ATOM 0 H LEU A 76 -2.611 3.830 -7.528 1.00 12.43 H new ATOM 0 HA LEU A 76 0.198 3.966 -7.119 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.643 5.819 -7.073 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.892 5.357 -5.401 1.00 11.99 H new ATOM 0 HG LEU A 76 0.965 5.598 -5.936 1.00 8.87 H new ATOM 0 HD11 LEU A 76 1.012 8.038 -6.370 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.233 7.165 -7.711 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.761 8.045 -6.525 1.00 9.28 H new ATOM 0 HD21 LEU A 76 0.801 7.179 -4.029 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.972 7.184 -4.186 1.00 7.80 H new ATOM 0 HD23 LEU A 76 -0.125 5.694 -3.707 1.00 7.80 H new ATOM 1184 N MET A 77 0.724 3.142 -4.755 1.00 14.08 N ATOM 1185 CA MET A 77 1.009 2.398 -3.496 1.00 14.12 C ATOM 1186 C MET A 77 2.311 2.909 -2.878 1.00 11.37 C ATOM 1187 O MET A 77 3.315 3.049 -3.548 1.00 11.44 O ATOM 1188 CB MET A 77 1.148 0.904 -3.803 1.00 16.48 C ATOM 1189 CG MET A 77 -0.189 0.354 -4.301 1.00 24.75 C ATOM 1190 SD MET A 77 -0.094 -1.450 -4.419 1.00 35.11 S ATOM 1191 CE MET A 77 -1.359 -1.661 -5.696 1.00 33.86 C ATOM 0 H MET A 77 1.527 3.609 -5.176 1.00 14.08 H new ATOM 0 HA MET A 77 0.189 2.553 -2.795 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.920 0.748 -4.557 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.463 0.367 -2.908 1.00 16.48 H new ATOM 0 HG2 MET A 77 -0.989 0.643 -3.620 1.00 24.75 H new ATOM 0 HG3 MET A 77 -0.430 0.781 -5.275 1.00 24.75 H new ATOM 0 HE1 MET A 77 -1.493 -2.723 -5.903 1.00 33.86 H new ATOM 0 HE2 MET A 77 -2.301 -1.237 -5.349 1.00 33.86 H new ATOM 0 HE3 MET A 77 -1.045 -1.151 -6.607 1.00 33.86 H new ATOM 1201 N ILE A 78 2.301 3.186 -1.605 1.00 11.78 N ATOM 1202 CA ILE A 78 3.535 3.685 -0.938 1.00 11.62 C ATOM 1203 C ILE A 78 4.597 2.581 -0.917 1.00 11.45 C ATOM 1204 O ILE A 78 4.303 1.427 -0.679 1.00 12.59 O ATOM 1205 CB ILE A 78 3.215 4.073 0.500 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.196 5.216 0.521 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.499 4.512 1.203 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.883 4.715 1.128 1.00 13.67 C ATOM 0 H ILE A 78 1.489 3.088 -0.996 1.00 11.78 H new ATOM 0 HA ILE A 78 3.908 4.549 -1.488 1.00 11.62 H new ATOM 0 HB ILE A 78 2.790 3.214 1.019 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.583 6.052 1.103 1.00 7.09 H new ATOM 0 HG13 ILE A 78 2.025 5.584 -0.491 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.273 4.790 2.232 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.216 3.691 1.198 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.925 5.369 0.681 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.156 5.527 1.144 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.495 3.892 0.527 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.062 4.368 2.146 1.00 13.67 H new ATOM 1220 N ASP A 79 5.832 2.933 -1.144 1.00 10.05 N ATOM 1221 CA ASP A 79 6.924 1.913 -1.115 1.00 14.79 C ATOM 1222 C ASP A 79 7.764 2.118 0.152 1.00 15.20 C ATOM 1223 O ASP A 79 8.594 1.305 0.505 1.00 18.10 O ATOM 1224 CB ASP A 79 7.811 2.077 -2.351 1.00 12.21 C ATOM 1225 CG ASP A 79 8.571 0.775 -2.612 1.00 17.52 C ATOM 1226 OD1 ASP A 79 7.933 -0.195 -2.990 1.00 24.06 O ATOM 1227 OD2 ASP A 79 9.777 0.769 -2.429 1.00 21.87 O ATOM 0 H ASP A 79 6.135 3.885 -1.349 1.00 10.05 H new ATOM 0 HA ASP A 79 6.494 0.912 -1.114 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.201 2.334 -3.217 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.514 2.897 -2.201 1.00 12.21 H new ATOM 1232 N ARG A 80 7.538 3.208 0.834 1.00 17.08 N ATOM 1233 CA ARG A 80 8.287 3.518 2.084 1.00 17.14 C ATOM 1234 C ARG A 80 8.071 4.996 2.374 1.00 14.98 C ATOM 1235 O ARG A 80 8.963 5.813 2.263 1.00 16.47 O ATOM 1236 CB ARG A 80 9.779 3.226 1.905 1.00 17.78 C ATOM 1237 CG ARG A 80 10.558 3.808 3.086 1.00 22.76 C ATOM 1238 CD ARG A 80 11.532 2.758 3.622 1.00 28.43 C ATOM 1239 NE ARG A 80 12.922 3.119 3.222 1.00 33.10 N ATOM 1240 CZ ARG A 80 13.942 2.544 3.800 1.00 30.84 C ATOM 1241 NH1 ARG A 80 13.750 1.645 4.728 1.00 33.12 N ATOM 1242 NH2 ARG A 80 15.156 2.866 3.448 1.00 35.04 N ATOM 0 H ARG A 80 6.849 3.912 0.570 1.00 17.08 H new ATOM 0 HA ARG A 80 7.931 2.901 2.909 1.00 17.14 H new ATOM 0 HB2 ARG A 80 9.945 2.151 1.841 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.136 3.660 0.971 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.103 4.698 2.772 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.870 4.116 3.873 1.00 22.76 H new ATOM 0 HD2 ARG A 80 11.458 2.699 4.708 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.274 1.774 3.231 1.00 28.43 H new ATOM 0 HE ARG A 80 13.077 3.817 2.495 1.00 33.10 H new ATOM 0 HH11 ARG A 80 12.801 1.390 5.003 1.00 33.12 H new ATOM 0 HH12 ARG A 80 14.549 1.198 5.178 1.00 33.12 H new ATOM 0 HH21 ARG A 80 15.308 3.566 2.722 1.00 35.04 H new ATOM 0 HH22 ARG A 80 15.954 2.418 3.899 1.00 35.04 H new ATOM 1256 N LEU A 81 6.861 5.326 2.698 1.00 11.03 N ATOM 1257 CA LEU A 81 6.471 6.735 2.959 1.00 11.27 C ATOM 1258 C LEU A 81 7.624 7.555 3.559 1.00 15.61 C ATOM 1259 O LEU A 81 8.113 7.278 4.636 1.00 18.56 O ATOM 1260 CB LEU A 81 5.253 6.732 3.887 1.00 13.62 C ATOM 1261 CG LEU A 81 5.691 6.776 5.347 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.449 6.772 6.241 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.543 5.537 5.653 1.00 18.72 C ATOM 0 H LEU A 81 6.098 4.656 2.797 1.00 11.03 H new ATOM 0 HA LEU A 81 6.220 7.216 2.013 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.618 7.590 3.666 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.655 5.839 3.708 1.00 13.62 H new ATOM 0 HG LEU A 81 6.275 7.677 5.534 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.754 6.803 7.287 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.836 7.644 6.015 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.872 5.866 6.058 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.860 5.562 6.696 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.954 4.637 5.474 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.421 5.531 5.007 1.00 18.72 H new ATOM 1275 N ARG A 82 8.042 8.582 2.865 1.00 13.37 N ATOM 1276 CA ARG A 82 9.136 9.448 3.388 1.00 12.72 C ATOM 1277 C ARG A 82 8.502 10.598 4.174 1.00 13.33 C ATOM 1278 O ARG A 82 7.860 11.465 3.616 1.00 13.27 O ATOM 1279 CB ARG A 82 9.951 10.009 2.220 1.00 13.85 C ATOM 1280 CG ARG A 82 11.067 9.028 1.856 1.00 16.22 C ATOM 1281 CD ARG A 82 12.219 9.175 2.850 1.00 16.62 C ATOM 1282 NE ARG A 82 13.360 9.887 2.194 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.815 9.510 1.026 1.00 17.96 C ATOM 1284 NH1 ARG A 82 13.414 8.391 0.482 1.00 20.55 N ATOM 1285 NH2 ARG A 82 14.720 10.231 0.423 1.00 16.89 N ATOM 0 H ARG A 82 7.670 8.857 1.956 1.00 13.37 H new ATOM 0 HA ARG A 82 9.798 8.871 4.033 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.304 10.176 1.359 1.00 13.85 H new ATOM 0 HB3 ARG A 82 10.376 10.975 2.491 1.00 13.85 H new ATOM 0 HG2 ARG A 82 10.687 8.006 1.872 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.420 9.221 0.843 1.00 16.22 H new ATOM 0 HD2 ARG A 82 11.887 9.730 3.727 1.00 16.62 H new ATOM 0 HD3 ARG A 82 12.541 8.193 3.197 1.00 16.62 H new ATOM 0 HE ARG A 82 13.792 10.682 2.666 1.00 15.85 H new ATOM 0 HH11 ARG A 82 12.739 7.801 0.968 1.00 20.55 H new ATOM 0 HH12 ARG A 82 13.776 8.108 -0.429 1.00 20.55 H new ATOM 0 HH21 ARG A 82 15.069 11.083 0.862 1.00 16.89 H new ATOM 0 HH22 ARG A 82 15.079 9.943 -0.487 1.00 16.89 H new ATOM 1299 N LEU A 83 8.650 10.595 5.469 1.00 13.53 N ATOM 1300 CA LEU A 83 8.026 11.670 6.297 1.00 13.86 C ATOM 1301 C LEU A 83 8.804 12.983 6.185 1.00 13.02 C ATOM 1302 O LEU A 83 9.984 13.008 5.896 1.00 14.40 O ATOM 1303 CB LEU A 83 7.997 11.237 7.763 1.00 9.93 C ATOM 1304 CG LEU A 83 6.556 11.231 8.273 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.554 10.964 9.780 1.00 8.88 C ATOM 1306 CD2 LEU A 83 5.910 12.591 7.996 1.00 10.58 C ATOM 0 H LEU A 83 9.176 9.895 5.992 1.00 13.53 H new ATOM 0 HA LEU A 83 7.013 11.832 5.927 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.433 10.244 7.867 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.602 11.915 8.364 1.00 9.93 H new ATOM 0 HG LEU A 83 5.992 10.451 7.762 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.528 10.959 10.147 1.00 8.88 H new ATOM 0 HD12 LEU A 83 7.015 9.997 9.979 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.118 11.746 10.289 1.00 8.88 H new ATOM 0 HD21 LEU A 83 4.882 12.587 8.360 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.473 13.372 8.507 1.00 10.58 H new ATOM 0 HD23 LEU A 83 5.914 12.784 6.923 1.00 10.58 H new ATOM 1318 N VAL A 84 8.129 14.075 6.424 1.00 11.81 N ATOM 1319 CA VAL A 84 8.770 15.409 6.359 1.00 12.86 C ATOM 1320 C VAL A 84 7.900 16.388 7.155 1.00 14.98 C ATOM 1321 O VAL A 84 6.701 16.223 7.212 1.00 13.59 O ATOM 1322 CB VAL A 84 8.841 15.849 4.900 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.711 14.870 4.109 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.431 15.877 4.306 1.00 17.34 C ATOM 0 H VAL A 84 7.138 14.093 6.666 1.00 11.81 H new ATOM 0 HA VAL A 84 9.777 15.381 6.774 1.00 12.86 H new ATOM 0 HB VAL A 84 9.278 16.846 4.844 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.760 15.187 3.067 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.716 14.854 4.531 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.278 13.871 4.165 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.482 16.191 3.264 1.00 17.34 H new ATOM 0 HG22 VAL A 84 6.992 14.881 4.364 1.00 17.34 H new ATOM 0 HG23 VAL A 84 6.814 16.579 4.867 1.00 17.34 H new ATOM 1334 N PRO A 85 8.516 17.377 7.745 1.00 18.65 N ATOM 1335 CA PRO A 85 7.792 18.385 8.539 1.00 22.41 C ATOM 1336 C PRO A 85 6.788 19.143 7.659 1.00 25.70 C ATOM 1337 O PRO A 85 7.063 19.464 6.520 1.00 22.08 O ATOM 1338 CB PRO A 85 8.901 19.281 9.094 1.00 21.19 C ATOM 1339 CG PRO A 85 10.122 19.039 8.194 1.00 18.95 C ATOM 1340 CD PRO A 85 9.964 17.605 7.659 1.00 20.63 C ATOM 0 HA PRO A 85 7.189 17.961 9.342 1.00 22.41 H new ATOM 0 HB2 PRO A 85 8.603 20.329 9.076 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.124 19.031 10.131 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.156 19.760 7.378 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.050 19.148 8.755 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.327 17.514 6.635 1.00 20.63 H new ATOM 0 HD3 PRO A 85 10.522 16.887 8.260 1.00 20.63 H new ATOM 1348 N ALA A 86 5.613 19.409 8.175 1.00 31.74 N ATOM 1349 CA ALA A 86 4.577 20.119 7.369 1.00 39.94 C ATOM 1350 C ALA A 86 5.046 21.543 7.066 1.00 46.96 C ATOM 1351 O ALA A 86 5.257 22.341 7.959 1.00 49.29 O ATOM 1352 CB ALA A 86 3.266 20.165 8.160 1.00 39.70 C ATOM 0 H ALA A 86 5.328 19.163 9.123 1.00 31.74 H new ATOM 0 HA ALA A 86 4.418 19.588 6.430 1.00 39.94 H new ATOM 0 HB1 ALA A 86 2.506 20.683 7.575 1.00 39.70 H new ATOM 0 HB2 ALA A 86 2.932 19.149 8.370 1.00 39.70 H new ATOM 0 HB3 ALA A 86 3.426 20.696 9.098 1.00 39.70 H new ATOM 1358 N LYS A 87 5.212 21.869 5.814 1.00 51.78 N ATOM 1359 CA LYS A 87 5.668 23.242 5.455 1.00 55.12 C ATOM 1360 C LYS A 87 5.009 23.673 4.144 1.00 55.82 C ATOM 1361 O LYS A 87 4.790 24.861 3.976 1.00 58.05 O ATOM 1362 CB LYS A 87 7.190 23.247 5.287 1.00 52.96 C ATOM 1363 CG LYS A 87 7.593 22.214 4.232 1.00 55.49 C ATOM 1364 CD LYS A 87 7.705 22.895 2.867 1.00 56.64 C ATOM 1365 CE LYS A 87 9.054 23.609 2.760 1.00 58.91 C ATOM 1366 NZ LYS A 87 9.860 22.989 1.671 1.00 58.16 N ATOM 1367 OXT LYS A 87 4.733 22.807 3.330 1.00 57.66 O ATOM 0 H LYS A 87 5.052 21.244 5.024 1.00 51.78 H new ATOM 0 HA LYS A 87 5.387 23.936 6.247 1.00 55.12 H new ATOM 0 HB2 LYS A 87 7.530 24.239 4.988 1.00 52.96 H new ATOM 0 HB3 LYS A 87 7.672 23.018 6.238 1.00 52.96 H new ATOM 0 HG2 LYS A 87 8.545 21.756 4.501 1.00 55.49 H new ATOM 0 HG3 LYS A 87 6.855 21.413 4.191 1.00 55.49 H new ATOM 0 HD2 LYS A 87 7.609 22.156 2.071 1.00 56.64 H new ATOM 0 HD3 LYS A 87 6.892 23.610 2.738 1.00 56.64 H new ATOM 0 HE2 LYS A 87 8.901 24.669 2.556 1.00 58.91 H new ATOM 0 HE3 LYS A 87 9.589 23.541 3.707 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 10.777 23.474 1.598 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 10.017 21.983 1.885 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 9.350 23.076 0.769 1.00 58.16 H new ATOM 1382 N MET B 1 2.801 17.606 -3.355 1.00 42.32 N ATOM 1383 CA MET B 1 1.938 16.453 -2.973 1.00 40.89 C ATOM 1384 C MET B 1 1.899 15.444 -4.121 1.00 34.75 C ATOM 1385 O MET B 1 2.570 15.600 -5.122 1.00 33.97 O ATOM 1386 CB MET B 1 0.515 16.952 -2.686 1.00 48.45 C ATOM 1387 CG MET B 1 -0.209 17.248 -4.006 1.00 56.13 C ATOM 1388 SD MET B 1 -1.205 18.748 -3.822 1.00 64.91 S ATOM 1389 CE MET B 1 -2.447 18.061 -2.699 1.00 63.43 C ATOM 0 H1 MET B 1 3.591 17.686 -2.683 1.00 42.32 H new ATOM 0 H2 MET B 1 3.176 17.456 -4.313 1.00 42.32 H new ATOM 0 H3 MET B 1 2.240 18.481 -3.336 1.00 42.32 H new ATOM 0 HA MET B 1 2.344 15.976 -2.081 1.00 40.89 H new ATOM 0 HB2 MET B 1 -0.036 16.201 -2.119 1.00 48.45 H new ATOM 0 HB3 MET B 1 0.552 17.852 -2.072 1.00 48.45 H new ATOM 0 HG2 MET B 1 0.516 17.376 -4.810 1.00 56.13 H new ATOM 0 HG3 MET B 1 -0.846 16.407 -4.281 1.00 56.13 H new ATOM 0 HE1 MET B 1 -3.415 18.518 -2.904 1.00 63.43 H new ATOM 0 HE2 MET B 1 -2.516 16.983 -2.848 1.00 63.43 H new ATOM 0 HE3 MET B 1 -2.159 18.267 -1.668 1.00 63.43 H new ATOM 1401 N ILE B 2 1.104 14.419 -3.991 1.00 28.59 N ATOM 1402 CA ILE B 2 1.009 13.414 -5.083 1.00 24.58 C ATOM 1403 C ILE B 2 0.232 14.036 -6.239 1.00 19.29 C ATOM 1404 O ILE B 2 -0.940 13.785 -6.426 1.00 19.53 O ATOM 1405 CB ILE B 2 0.290 12.168 -4.572 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.862 11.773 -3.212 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.504 11.018 -5.553 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.235 11.138 -2.369 1.00 33.80 C ATOM 0 H ILE B 2 0.517 14.235 -3.177 1.00 28.59 H new ATOM 0 HA ILE B 2 2.004 13.124 -5.421 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.775 12.380 -4.478 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.688 11.073 -3.341 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.264 12.650 -2.705 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.009 10.128 -5.188 1.00 23.06 H new ATOM 0 HG22 ILE B 2 0.104 11.293 -6.529 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.570 10.810 -5.643 1.00 23.06 H new ATOM 0 HD11 ILE B 2 0.170 10.855 -1.398 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.046 11.853 -2.229 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -0.616 10.251 -2.876 1.00 33.80 H new ATOM 1420 N LYS B 3 0.886 14.868 -7.001 1.00 18.14 N ATOM 1421 CA LYS B 3 0.210 15.551 -8.139 1.00 16.66 C ATOM 1422 C LYS B 3 -0.297 14.545 -9.168 1.00 14.94 C ATOM 1423 O LYS B 3 -0.030 13.365 -9.092 1.00 13.94 O ATOM 1424 CB LYS B 3 1.188 16.520 -8.807 1.00 16.94 C ATOM 1425 CG LYS B 3 0.930 17.937 -8.291 1.00 17.85 C ATOM 1426 CD LYS B 3 1.504 18.955 -9.280 1.00 19.63 C ATOM 1427 CE LYS B 3 1.057 20.362 -8.880 1.00 26.28 C ATOM 1428 NZ LYS B 3 1.652 20.718 -7.561 1.00 32.72 N ATOM 0 H LYS B 3 1.871 15.106 -6.882 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.648 16.098 -7.748 1.00 16.66 H new ATOM 0 HB2 LYS B 3 2.215 16.224 -8.592 1.00 16.94 H new ATOM 0 HB3 LYS B 3 1.067 16.488 -9.890 1.00 16.94 H new ATOM 0 HG2 LYS B 3 -0.140 18.100 -8.166 1.00 17.85 H new ATOM 0 HG3 LYS B 3 1.389 18.068 -7.311 1.00 17.85 H new ATOM 0 HD2 LYS B 3 2.592 18.896 -9.288 1.00 19.63 H new ATOM 0 HD3 LYS B 3 1.165 18.728 -10.291 1.00 19.63 H new ATOM 0 HE2 LYS B 3 1.367 21.082 -9.637 1.00 26.28 H new ATOM 0 HE3 LYS B 3 -0.031 20.407 -8.824 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 1.505 21.731 -7.376 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 1.195 20.159 -6.812 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 2.671 20.513 -7.573 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.042 15.028 -10.126 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.612 14.144 -11.183 1.00 12.99 C ATOM 1444 C VAL B 4 -2.176 15.016 -12.305 1.00 14.26 C ATOM 1445 O VAL B 4 -2.325 16.213 -12.165 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.749 13.299 -10.584 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.619 12.698 -11.695 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -2.163 12.168 -9.737 1.00 10.41 C ATOM 0 H VAL B 4 -1.283 16.014 -10.222 1.00 12.42 H new ATOM 0 HA VAL B 4 -0.835 13.487 -11.573 1.00 12.99 H new ATOM 0 HB VAL B 4 -3.366 13.946 -9.961 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -4.417 12.104 -11.251 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -4.053 13.500 -12.292 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.006 12.062 -12.333 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -2.973 11.572 -9.315 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -1.534 11.534 -10.362 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -1.565 12.590 -8.930 1.00 10.41 H new ATOM 1458 N GLU B 5 -2.502 14.417 -13.407 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.075 15.182 -14.545 1.00 10.51 C ATOM 1460 C GLU B 5 -4.058 14.292 -15.285 1.00 10.00 C ATOM 1461 O GLU B 5 -3.681 13.403 -16.023 1.00 10.96 O ATOM 1462 CB GLU B 5 -1.956 15.614 -15.489 1.00 10.42 C ATOM 1463 CG GLU B 5 -1.370 16.929 -14.986 1.00 18.68 C ATOM 1464 CD GLU B 5 -0.443 17.520 -16.050 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -0.802 17.467 -17.215 1.00 22.12 O ATOM 1466 OE2 GLU B 5 0.608 18.016 -15.681 1.00 19.38 O ATOM 0 H GLU B 5 -2.396 13.416 -13.573 1.00 9.27 H new ATOM 0 HA GLU B 5 -3.587 16.071 -14.176 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -1.182 14.848 -15.532 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -2.342 15.735 -16.501 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -2.171 17.632 -14.757 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -0.818 16.762 -14.061 1.00 18.68 H new ATOM 1473 N ILE B 6 -5.319 14.524 -15.091 1.00 9.86 N ATOM 1474 CA ILE B 6 -6.332 13.687 -15.792 1.00 10.60 C ATOM 1475 C ILE B 6 -6.276 14.030 -17.290 1.00 10.16 C ATOM 1476 O ILE B 6 -6.743 15.066 -17.718 1.00 11.64 O ATOM 1477 CB ILE B 6 -7.739 13.938 -15.187 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.199 12.671 -14.459 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -8.761 14.280 -16.273 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -7.908 12.800 -12.961 1.00 13.81 C ATOM 0 H ILE B 6 -5.695 15.251 -14.482 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.119 12.626 -15.665 1.00 10.60 H new ATOM 0 HB ILE B 6 -7.671 14.781 -14.499 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.266 12.515 -14.620 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.685 11.800 -14.865 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -9.735 14.450 -15.815 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -8.445 15.181 -16.799 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -8.831 13.453 -16.980 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.237 11.897 -12.447 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -6.837 12.935 -12.809 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -8.443 13.661 -12.559 1.00 13.81 H new ATOM 1492 N LYS B 7 -5.687 13.173 -18.085 1.00 11.63 N ATOM 1493 CA LYS B 7 -5.582 13.454 -19.543 1.00 11.59 C ATOM 1494 C LYS B 7 -6.935 13.937 -20.074 1.00 12.98 C ATOM 1495 O LYS B 7 -7.926 13.887 -19.373 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.169 12.172 -20.270 1.00 12.52 C ATOM 1497 CG LYS B 7 -3.712 12.279 -20.741 1.00 14.26 C ATOM 1498 CD LYS B 7 -2.844 12.917 -19.652 1.00 15.70 C ATOM 1499 CE LYS B 7 -2.330 14.269 -20.137 1.00 19.19 C ATOM 1500 NZ LYS B 7 -2.763 15.337 -19.191 1.00 25.43 N ATOM 0 H LYS B 7 -5.275 12.290 -17.784 1.00 11.63 H new ATOM 0 HA LYS B 7 -4.836 14.230 -19.715 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -5.283 11.315 -19.606 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -5.824 12.002 -21.124 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -3.329 11.289 -20.986 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -3.660 12.875 -21.652 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -3.424 13.043 -18.738 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -2.006 12.263 -19.410 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -1.242 14.252 -20.209 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -2.712 14.477 -21.136 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -3.518 15.903 -19.628 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -3.119 14.902 -18.316 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -1.954 15.952 -18.968 1.00 25.43 H new ATOM 1514 N PRO B 8 -6.932 14.390 -21.302 1.00 13.56 N ATOM 1515 CA PRO B 8 -8.149 14.891 -21.963 1.00 11.93 C ATOM 1516 C PRO B 8 -9.027 13.718 -22.390 1.00 10.20 C ATOM 1517 O PRO B 8 -10.227 13.842 -22.536 1.00 12.05 O ATOM 1518 CB PRO B 8 -7.612 15.656 -23.175 1.00 12.78 C ATOM 1519 CG PRO B 8 -6.200 15.092 -23.456 1.00 12.51 C ATOM 1520 CD PRO B 8 -5.720 14.440 -22.145 1.00 13.61 C ATOM 0 HA PRO B 8 -8.769 15.518 -21.322 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -8.263 15.522 -24.039 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -7.569 16.726 -22.971 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -6.228 14.362 -24.265 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -5.520 15.885 -23.766 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -5.315 13.443 -22.321 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -4.931 15.026 -21.674 1.00 13.61 H new ATOM 1528 N SER B 9 -8.434 12.577 -22.578 1.00 10.65 N ATOM 1529 CA SER B 9 -9.221 11.382 -22.983 1.00 10.83 C ATOM 1530 C SER B 9 -9.606 10.585 -21.734 1.00 10.94 C ATOM 1531 O SER B 9 -10.194 9.525 -21.819 1.00 13.16 O ATOM 1532 CB SER B 9 -8.378 10.506 -23.911 1.00 13.01 C ATOM 1533 OG SER B 9 -7.610 11.337 -24.771 1.00 15.52 O ATOM 0 H SER B 9 -7.432 12.418 -22.468 1.00 10.65 H new ATOM 0 HA SER B 9 -10.123 11.697 -23.507 1.00 10.83 H new ATOM 0 HB2 SER B 9 -7.721 9.863 -23.325 1.00 13.01 H new ATOM 0 HB3 SER B 9 -9.023 9.852 -24.498 1.00 13.01 H new ATOM 0 HG SER B 9 -7.067 10.779 -25.366 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.281 11.089 -20.573 1.00 10.02 N ATOM 1540 CA GLN B 10 -9.629 10.364 -19.321 1.00 11.55 C ATOM 1541 C GLN B 10 -10.591 11.216 -18.492 1.00 13.72 C ATOM 1542 O GLN B 10 -10.550 11.209 -17.279 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.361 10.106 -18.510 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.252 9.633 -19.446 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.455 8.153 -19.774 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -8.567 7.663 -19.766 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -6.419 7.414 -20.066 1.00 4.80 N ATOM 0 H GLN B 10 -8.789 11.973 -20.440 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.101 9.414 -19.572 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.054 11.016 -17.994 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.552 9.354 -17.744 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.259 10.223 -20.362 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.279 9.782 -18.978 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -5.485 7.825 -20.073 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -6.543 6.426 -20.287 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.449 11.962 -19.135 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.400 12.823 -18.374 1.00 18.95 C ATOM 1558 C ALA B 11 -13.736 12.101 -18.191 1.00 20.75 C ATOM 1559 O ALA B 11 -14.717 12.689 -17.781 1.00 24.78 O ATOM 1560 CB ALA B 11 -12.628 14.128 -19.139 1.00 17.72 C ATOM 0 H ALA B 11 -11.532 12.013 -20.150 1.00 15.28 H new ATOM 0 HA ALA B 11 -11.976 13.039 -17.393 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.323 14.758 -18.584 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -11.679 14.651 -19.257 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.045 13.906 -20.121 1.00 17.72 H new ATOM 1566 N GLN B 12 -13.788 10.834 -18.489 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.066 10.088 -18.328 1.00 25.43 C ATOM 1568 C GLN B 12 -14.796 8.707 -17.736 1.00 22.80 C ATOM 1569 O GLN B 12 -13.914 7.993 -18.172 1.00 20.93 O ATOM 1570 CB GLN B 12 -15.739 9.936 -19.688 1.00 30.18 C ATOM 1571 CG GLN B 12 -16.595 11.169 -19.947 1.00 42.11 C ATOM 1572 CD GLN B 12 -17.134 11.133 -21.378 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -17.445 12.161 -21.947 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -17.257 9.987 -21.988 1.00 47.90 N ATOM 0 H GLN B 12 -13.003 10.283 -18.836 1.00 22.50 H new ATOM 0 HA GLN B 12 -15.720 10.642 -17.654 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -14.989 9.825 -20.471 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -16.355 9.037 -19.707 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -17.422 11.205 -19.238 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -16.004 12.072 -19.794 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -16.996 9.124 -21.510 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -17.614 9.953 -22.943 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.550 8.326 -16.743 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.343 6.997 -16.118 1.00 20.51 C ATOM 1585 C PHE B 13 -16.064 5.926 -16.925 1.00 18.83 C ATOM 1586 O PHE B 13 -16.683 6.195 -17.935 1.00 18.83 O ATOM 1587 CB PHE B 13 -15.926 7.016 -14.714 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.330 7.570 -14.789 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.361 6.788 -15.320 1.00 15.55 C ATOM 1590 CD2 PHE B 13 -17.598 8.869 -14.338 1.00 20.50 C ATOM 1591 CE1 PHE B 13 -19.660 7.302 -15.398 1.00 14.07 C ATOM 1592 CE2 PHE B 13 -18.897 9.382 -14.415 1.00 20.75 C ATOM 1593 CZ PHE B 13 -19.928 8.599 -14.945 1.00 18.48 C ATOM 0 H PHE B 13 -16.303 8.883 -16.338 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.276 6.777 -16.088 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -15.937 6.010 -14.294 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.311 7.630 -14.056 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.154 5.787 -15.670 1.00 15.55 H new ATOM 0 HD2 PHE B 13 -16.802 9.474 -13.931 1.00 20.50 H new ATOM 0 HE1 PHE B 13 -20.456 6.698 -15.808 1.00 14.07 H new ATOM 0 HE2 PHE B 13 -19.104 10.383 -14.065 1.00 20.75 H new ATOM 0 HZ PHE B 13 -20.931 8.995 -15.005 1.00 18.48 H new ATOM 1603 N THR B 14 -15.995 4.712 -16.469 1.00 14.89 N ATOM 1604 CA THR B 14 -16.680 3.605 -17.181 1.00 13.37 C ATOM 1605 C THR B 14 -17.506 2.795 -16.185 1.00 11.97 C ATOM 1606 O THR B 14 -17.120 2.610 -15.049 1.00 10.76 O ATOM 1607 CB THR B 14 -15.641 2.695 -17.830 1.00 13.68 C ATOM 1608 OG1 THR B 14 -14.424 2.772 -17.101 1.00 13.48 O ATOM 1609 CG2 THR B 14 -15.406 3.144 -19.267 1.00 9.24 C ATOM 0 H THR B 14 -15.490 4.437 -15.627 1.00 14.89 H new ATOM 0 HA THR B 14 -17.333 4.019 -17.949 1.00 13.37 H new ATOM 0 HB THR B 14 -16.000 1.666 -17.825 1.00 13.68 H new ATOM 0 HG1 THR B 14 -13.756 2.187 -17.516 1.00 13.48 H new ATOM 0 HG21 THR B 14 -14.664 2.496 -19.734 1.00 9.24 H new ATOM 0 HG22 THR B 14 -16.341 3.085 -19.824 1.00 9.24 H new ATOM 0 HG23 THR B 14 -15.044 4.172 -19.272 1.00 9.24 H new ATOM 1617 N THR B 15 -18.638 2.305 -16.603 1.00 13.20 N ATOM 1618 CA THR B 15 -19.485 1.503 -15.679 1.00 12.54 C ATOM 1619 C THR B 15 -19.114 0.024 -15.812 1.00 14.34 C ATOM 1620 O THR B 15 -19.234 -0.562 -16.870 1.00 17.35 O ATOM 1621 CB THR B 15 -20.959 1.695 -16.044 1.00 11.88 C ATOM 1622 OG1 THR B 15 -21.106 2.889 -16.800 1.00 17.15 O ATOM 1623 CG2 THR B 15 -21.795 1.791 -14.767 1.00 8.30 C ATOM 0 H THR B 15 -19.013 2.425 -17.544 1.00 13.20 H new ATOM 0 HA THR B 15 -19.321 1.831 -14.652 1.00 12.54 H new ATOM 0 HB THR B 15 -21.301 0.846 -16.635 1.00 11.88 H new ATOM 0 HG1 THR B 15 -22.049 3.013 -17.036 1.00 17.15 H new ATOM 0 HG21 THR B 15 -22.844 1.928 -15.028 1.00 8.30 H new ATOM 0 HG22 THR B 15 -21.682 0.874 -14.188 1.00 8.30 H new ATOM 0 HG23 THR B 15 -21.456 2.639 -14.173 1.00 8.30 H new ATOM 1816 N LEU B 28 -20.031 0.419 -10.060 1.00 18.57 N ATOM 1817 CA LEU B 28 -19.383 1.738 -9.829 1.00 16.31 C ATOM 1818 C LEU B 28 -18.695 2.212 -11.110 1.00 14.21 C ATOM 1819 O LEU B 28 -18.505 1.459 -12.044 1.00 16.97 O ATOM 1820 CB LEU B 28 -18.354 1.600 -8.709 1.00 16.48 C ATOM 1821 CG LEU B 28 -18.361 2.864 -7.850 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -18.922 2.535 -6.464 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -16.932 3.395 -7.711 1.00 22.01 C ATOM 0 HA LEU B 28 -20.138 2.470 -9.544 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -18.584 0.729 -8.095 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -17.362 1.440 -9.130 1.00 16.48 H new ATOM 0 HG LEU B 28 -18.985 3.622 -8.323 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -18.927 3.436 -5.850 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -19.940 2.158 -6.564 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -18.299 1.777 -5.990 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -16.937 4.297 -7.098 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -16.307 2.638 -7.238 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -16.533 3.629 -8.698 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.326 3.462 -11.159 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.652 4.004 -12.377 1.00 9.77 C ATOM 1837 C ASN B 29 -16.162 4.202 -12.085 1.00 7.94 C ATOM 1838 O ASN B 29 -15.795 4.745 -11.067 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.273 5.354 -12.771 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.209 5.862 -11.669 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -20.077 5.144 -11.214 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.070 7.079 -11.221 1.00 12.89 N ATOM 0 H ASN B 29 -18.462 4.136 -10.406 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.781 3.298 -13.198 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.484 6.084 -12.950 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -18.826 5.247 -13.704 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -19.690 7.427 -10.489 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -18.342 7.683 -11.602 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.299 3.767 -12.966 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.834 3.941 -12.723 1.00 13.16 C ATOM 1851 C GLU B 30 -13.257 4.928 -13.746 1.00 12.26 C ATOM 1852 O GLU B 30 -13.755 5.054 -14.847 1.00 10.58 O ATOM 1853 CB GLU B 30 -13.131 2.590 -12.871 1.00 14.93 C ATOM 1854 CG GLU B 30 -13.373 1.747 -11.618 1.00 27.13 C ATOM 1855 CD GLU B 30 -13.617 0.292 -12.021 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -12.898 -0.192 -12.880 1.00 38.01 O ATOM 1857 OE2 GLU B 30 -14.518 -0.314 -11.464 1.00 40.03 O ATOM 0 H GLU B 30 -15.543 3.301 -13.840 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.677 4.328 -11.716 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.506 2.068 -13.751 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.062 2.739 -13.020 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.513 1.812 -10.952 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -14.232 2.132 -11.068 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.206 5.625 -13.394 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.599 6.597 -14.352 1.00 9.46 C ATOM 1866 C GLN B 31 -10.079 6.418 -14.370 1.00 10.09 C ATOM 1867 O GLN B 31 -9.553 5.441 -13.875 1.00 9.36 O ATOM 1868 CB GLN B 31 -11.939 8.031 -13.922 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.216 8.893 -15.159 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.379 10.171 -15.083 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.194 10.120 -14.822 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -11.949 11.324 -15.301 1.00 12.39 N ATOM 0 H GLN B 31 -11.743 5.563 -12.487 1.00 10.34 H new ATOM 0 HA GLN B 31 -11.999 6.415 -15.349 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.811 8.027 -13.268 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.113 8.454 -13.350 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -11.972 8.338 -16.065 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.276 9.142 -15.213 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -12.944 11.368 -15.520 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.399 12.182 -15.252 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.369 7.351 -14.945 1.00 6.80 N ATOM 1882 CA LEU B 32 -7.883 7.231 -15.003 1.00 10.34 C ATOM 1883 C LEU B 32 -7.235 8.579 -14.659 1.00 9.02 C ATOM 1884 O LEU B 32 -7.898 9.593 -14.575 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.471 6.805 -16.415 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.422 5.717 -16.916 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -9.664 6.367 -17.530 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -7.712 4.870 -17.975 1.00 15.89 C ATOM 0 H LEU B 32 -9.753 8.191 -15.377 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.549 6.486 -14.281 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -7.496 7.663 -17.087 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.446 6.434 -16.410 1.00 10.20 H new ATOM 0 HG LEU B 32 -8.721 5.082 -16.082 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -10.342 5.592 -17.887 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -10.169 6.971 -16.776 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -9.367 7.002 -18.365 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -8.388 4.094 -18.333 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -7.414 5.505 -18.809 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -6.828 4.407 -17.538 1.00 15.89 H new ATOM 1900 N CYS B 33 -5.940 8.596 -14.460 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.243 9.869 -14.122 1.00 8.10 C ATOM 1902 C CYS B 33 -3.765 9.708 -14.465 1.00 6.34 C ATOM 1903 O CYS B 33 -3.289 8.611 -14.663 1.00 8.02 O ATOM 1904 CB CYS B 33 -5.370 10.178 -12.624 1.00 8.88 C ATOM 1905 SG CYS B 33 -5.830 8.691 -11.696 1.00 13.84 S ATOM 0 H CYS B 33 -5.335 7.777 -14.518 1.00 9.68 H new ATOM 0 HA CYS B 33 -5.693 10.686 -14.687 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -4.425 10.569 -12.247 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.120 10.954 -12.471 1.00 8.88 H new ATOM 0 HG CYS B 33 -5.641 7.641 -12.438 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.030 10.781 -14.537 1.00 7.35 N ATOM 1912 CA TYR B 34 -1.585 10.654 -14.873 1.00 7.08 C ATOM 1913 C TYR B 34 -0.731 11.248 -13.747 1.00 7.71 C ATOM 1914 O TYR B 34 -0.692 12.446 -13.552 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.298 11.409 -16.167 1.00 8.67 C ATOM 1916 CG TYR B 34 -1.589 10.528 -17.362 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -0.627 9.616 -17.816 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -2.811 10.647 -18.030 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -0.888 8.827 -18.937 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -3.071 9.858 -19.155 1.00 16.38 C ATOM 1921 CZ TYR B 34 -2.108 8.951 -19.608 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.365 8.172 -20.718 1.00 21.14 O ATOM 0 H TYR B 34 -3.363 11.732 -14.379 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.339 9.599 -14.995 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -1.909 12.311 -16.214 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.256 11.728 -16.187 1.00 8.67 H new ATOM 0 HD1 TYR B 34 0.316 9.524 -17.298 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -3.554 11.348 -17.678 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -0.148 8.121 -19.286 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -4.014 9.949 -19.673 1.00 16.38 H new ATOM 0 HH TYR B 34 -3.258 8.381 -21.065 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.042 10.419 -13.012 1.00 9.44 N ATOM 1933 CA VAL B 35 0.815 10.933 -11.907 1.00 10.66 C ATOM 1934 C VAL B 35 2.257 11.089 -12.409 1.00 10.57 C ATOM 1935 O VAL B 35 2.737 10.301 -13.200 1.00 8.31 O ATOM 1936 CB VAL B 35 0.772 9.951 -10.735 1.00 10.22 C ATOM 1937 CG1 VAL B 35 1.525 10.550 -9.551 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -0.685 9.698 -10.342 1.00 9.86 C ATOM 0 H VAL B 35 -0.036 9.406 -13.129 1.00 9.44 H new ATOM 0 HA VAL B 35 0.446 11.904 -11.575 1.00 10.66 H new ATOM 0 HB VAL B 35 1.238 9.009 -11.024 1.00 10.22 H new ATOM 0 HG11 VAL B 35 1.497 9.854 -8.713 1.00 7.97 H new ATOM 0 HG12 VAL B 35 2.561 10.735 -9.835 1.00 7.97 H new ATOM 0 HG13 VAL B 35 1.055 11.489 -9.259 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -0.720 8.998 -9.507 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -1.151 10.638 -10.048 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -1.223 9.277 -11.191 1.00 9.86 H new ATOM 1948 N ASP B 36 2.947 12.110 -11.969 1.00 8.58 N ATOM 1949 CA ASP B 36 4.346 12.323 -12.435 1.00 11.48 C ATOM 1950 C ASP B 36 5.286 12.568 -11.245 1.00 12.38 C ATOM 1951 O ASP B 36 6.476 12.341 -11.331 1.00 11.89 O ATOM 1952 CB ASP B 36 4.390 13.532 -13.372 1.00 16.17 C ATOM 1953 CG ASP B 36 3.226 13.457 -14.362 1.00 17.97 C ATOM 1954 OD1 ASP B 36 2.100 13.324 -13.912 1.00 15.67 O ATOM 1955 OD2 ASP B 36 3.481 13.534 -15.552 1.00 25.89 O ATOM 0 H ASP B 36 2.600 12.804 -11.307 1.00 8.58 H new ATOM 0 HA ASP B 36 4.677 11.428 -12.962 1.00 11.48 H new ATOM 0 HB2 ASP B 36 4.331 14.455 -12.795 1.00 16.17 H new ATOM 0 HB3 ASP B 36 5.338 13.553 -13.910 1.00 16.17 H new ATOM 1960 N LEU B 37 4.769 13.039 -10.142 1.00 13.17 N ATOM 1961 CA LEU B 37 5.638 13.310 -8.954 1.00 18.47 C ATOM 1962 C LEU B 37 6.596 12.138 -8.681 1.00 21.14 C ATOM 1963 O LEU B 37 7.569 12.285 -7.968 1.00 24.24 O ATOM 1964 CB LEU B 37 4.787 13.595 -7.703 1.00 15.81 C ATOM 1965 CG LEU B 37 3.613 12.612 -7.552 1.00 20.59 C ATOM 1966 CD1 LEU B 37 2.392 13.131 -8.308 1.00 14.72 C ATOM 1967 CD2 LEU B 37 3.984 11.223 -8.066 1.00 20.01 C ATOM 0 H LEU B 37 3.780 13.249 -10.010 1.00 13.17 H new ATOM 0 HA LEU B 37 6.233 14.194 -9.183 1.00 18.47 H new ATOM 0 HB2 LEU B 37 5.419 13.539 -6.817 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.400 14.613 -7.755 1.00 15.81 H new ATOM 0 HG LEU B 37 3.377 12.533 -6.491 1.00 20.59 H new ATOM 0 HD11 LEU B 37 1.567 12.427 -8.194 1.00 14.72 H new ATOM 0 HD12 LEU B 37 2.100 14.101 -7.905 1.00 14.72 H new ATOM 0 HD13 LEU B 37 2.636 13.236 -9.365 1.00 14.72 H new ATOM 0 HD21 LEU B 37 3.134 10.551 -7.946 1.00 20.01 H new ATOM 0 HD22 LEU B 37 4.251 11.285 -9.121 1.00 20.01 H new ATOM 0 HD23 LEU B 37 4.832 10.840 -7.499 1.00 20.01 H new ATOM 1979 N GLY B 38 6.350 10.983 -9.241 1.00 20.70 N ATOM 1980 CA GLY B 38 7.259 9.837 -9.012 1.00 23.91 C ATOM 1981 C GLY B 38 7.813 9.390 -10.363 1.00 26.50 C ATOM 1982 O GLY B 38 8.344 8.307 -10.508 1.00 31.02 O ATOM 0 H GLY B 38 5.554 10.790 -9.849 1.00 20.70 H new ATOM 0 HA2 GLY B 38 8.071 10.124 -8.344 1.00 23.91 H new ATOM 0 HA3 GLY B 38 6.724 9.018 -8.531 1.00 23.91 H new ATOM 1986 N ASN B 39 7.683 10.229 -11.356 1.00 27.64 N ATOM 1987 CA ASN B 39 8.186 9.884 -12.710 1.00 30.27 C ATOM 1988 C ASN B 39 7.942 11.071 -13.645 1.00 26.79 C ATOM 1989 O ASN B 39 6.815 11.449 -13.897 1.00 26.87 O ATOM 1990 CB ASN B 39 7.448 8.649 -13.236 1.00 35.62 C ATOM 1991 CG ASN B 39 5.988 8.688 -12.780 1.00 41.31 C ATOM 1992 OD1 ASN B 39 5.197 9.448 -13.301 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.594 7.893 -11.822 1.00 39.63 N ATOM 0 H ASN B 39 7.245 11.147 -11.282 1.00 27.64 H new ATOM 0 HA ASN B 39 9.253 9.665 -12.664 1.00 30.27 H new ATOM 0 HB2 ASN B 39 7.498 8.619 -14.324 1.00 35.62 H new ATOM 0 HB3 ASN B 39 7.929 7.742 -12.870 1.00 35.62 H new ATOM 0 HD21 ASN B 39 4.622 7.911 -11.512 1.00 39.63 H new ATOM 0 HD22 ASN B 39 6.258 7.254 -11.384 1.00 39.63 H new ATOM 2000 N GLU B 40 8.994 11.664 -14.147 1.00 25.15 N ATOM 2001 CA GLU B 40 8.851 12.836 -15.060 1.00 23.81 C ATOM 2002 C GLU B 40 7.639 12.649 -15.962 1.00 21.12 C ATOM 2003 O GLU B 40 6.681 13.394 -15.906 1.00 19.86 O ATOM 2004 CB GLU B 40 10.111 12.969 -15.919 1.00 27.22 C ATOM 2005 CG GLU B 40 11.351 12.806 -15.036 1.00 34.87 C ATOM 2006 CD GLU B 40 12.011 11.458 -15.327 1.00 38.97 C ATOM 2007 OE1 GLU B 40 11.937 11.017 -16.462 1.00 39.54 O ATOM 2008 OE2 GLU B 40 12.580 10.889 -14.410 1.00 42.34 O ATOM 0 H GLU B 40 9.957 11.383 -13.961 1.00 25.15 H new ATOM 0 HA GLU B 40 8.716 13.739 -14.464 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.109 12.214 -16.705 1.00 27.22 H new ATOM 0 HB3 GLU B 40 10.127 13.941 -16.411 1.00 27.22 H new ATOM 0 HG2 GLU B 40 12.055 13.616 -15.226 1.00 34.87 H new ATOM 0 HG3 GLU B 40 11.072 12.867 -13.984 1.00 34.87 H new ATOM 2015 N HIS B 41 7.674 11.650 -16.782 1.00 2.31 N ATOM 2016 CA HIS B 41 6.521 11.388 -17.690 1.00 1.95 C ATOM 2017 C HIS B 41 5.295 11.070 -16.835 1.00 1.22 C ATOM 2018 O HIS B 41 5.431 10.640 -15.706 1.00 0.47 O ATOM 2019 CB HIS B 41 6.840 10.195 -18.593 1.00 2.71 C ATOM 2020 CG HIS B 41 7.803 10.621 -19.667 1.00 1.31 C ATOM 2021 ND1 HIS B 41 8.693 11.668 -19.488 1.00 0.83 N ATOM 2022 CD2 HIS B 41 8.028 10.150 -20.936 1.00 2.60 C ATOM 2023 CE1 HIS B 41 9.406 11.792 -20.622 1.00 1.03 C ATOM 2024 NE2 HIS B 41 9.041 10.891 -21.538 1.00 2.86 N ATOM 0 H HIS B 41 8.452 10.996 -16.869 1.00 2.31 H new ATOM 0 HA HIS B 41 6.328 12.262 -18.312 1.00 1.95 H new ATOM 0 HB2 HIS B 41 7.271 9.385 -18.004 1.00 2.71 H new ATOM 0 HB3 HIS B 41 5.924 9.811 -19.043 1.00 2.71 H new ATOM 0 HD2 HIS B 41 7.499 9.329 -21.398 1.00 2.60 H new ATOM 0 HE1 HIS B 41 10.180 12.530 -20.773 1.00 1.03 H new ATOM 0 HE2 HIS B 41 9.422 10.772 -22.476 1.00 2.86 H new ATOM 2032 N PRO B 42 4.132 11.290 -17.387 1.00 15.11 N ATOM 2033 CA PRO B 42 2.874 11.033 -16.676 1.00 16.08 C ATOM 2034 C PRO B 42 2.571 9.538 -16.681 1.00 17.92 C ATOM 2035 O PRO B 42 2.788 8.852 -17.660 1.00 17.13 O ATOM 2036 CB PRO B 42 1.831 11.792 -17.493 1.00 16.41 C ATOM 2037 CG PRO B 42 2.423 11.945 -18.910 1.00 13.79 C ATOM 2038 CD PRO B 42 3.955 11.810 -18.759 1.00 16.28 C ATOM 0 HA PRO B 42 2.899 11.347 -15.633 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.887 11.247 -17.522 1.00 16.41 H new ATOM 0 HB3 PRO B 42 1.623 12.766 -17.050 1.00 16.41 H new ATOM 0 HG2 PRO B 42 2.030 11.180 -19.580 1.00 13.79 H new ATOM 0 HG3 PRO B 42 2.159 12.911 -19.339 1.00 13.79 H new ATOM 0 HD2 PRO B 42 4.371 11.129 -19.501 1.00 16.28 H new ATOM 0 HD3 PRO B 42 4.456 12.769 -18.890 1.00 16.28 H new ATOM 2046 N VAL B 43 2.062 9.029 -15.601 1.00 16.29 N ATOM 2047 CA VAL B 43 1.735 7.583 -15.551 1.00 14.28 C ATOM 2048 C VAL B 43 0.224 7.423 -15.438 1.00 9.00 C ATOM 2049 O VAL B 43 -0.385 7.822 -14.466 1.00 7.99 O ATOM 2050 CB VAL B 43 2.415 6.933 -14.347 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.934 6.993 -14.523 1.00 18.07 C ATOM 2052 CG2 VAL B 43 2.018 7.671 -13.066 1.00 20.57 C ATOM 0 H VAL B 43 1.858 9.552 -14.749 1.00 16.29 H new ATOM 0 HA VAL B 43 2.092 7.096 -16.458 1.00 14.28 H new ATOM 0 HB VAL B 43 2.098 5.893 -14.274 1.00 17.96 H new ATOM 0 HG11 VAL B 43 4.418 6.529 -13.664 1.00 18.07 H new ATOM 0 HG12 VAL B 43 4.216 6.460 -15.431 1.00 18.07 H new ATOM 0 HG13 VAL B 43 4.251 8.033 -14.600 1.00 18.07 H new ATOM 0 HG21 VAL B 43 2.506 7.203 -12.211 1.00 20.57 H new ATOM 0 HG22 VAL B 43 2.329 8.713 -13.136 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.937 7.622 -12.938 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.388 6.849 -16.433 1.00 10.19 N ATOM 2063 CA LEU B 44 -1.859 6.672 -16.393 1.00 11.55 C ATOM 2064 C LEU B 44 -2.225 5.668 -15.301 1.00 10.61 C ATOM 2065 O LEU B 44 -1.994 4.482 -15.428 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.344 6.165 -17.745 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.855 5.974 -17.699 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.522 7.302 -17.332 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.352 5.513 -19.072 1.00 20.21 C ATOM 0 H LEU B 44 0.070 6.495 -17.273 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.336 7.627 -16.174 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.079 6.875 -18.529 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.854 5.223 -17.990 1.00 10.60 H new ATOM 0 HG LEU B 44 -4.107 5.221 -16.952 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.603 7.169 -17.298 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.166 7.630 -16.355 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.272 8.054 -18.081 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.433 5.376 -19.040 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -4.103 6.265 -19.820 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.874 4.569 -19.334 1.00 20.21 H new ATOM 2081 N VAL B 45 -2.791 6.140 -14.228 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.174 5.223 -13.119 1.00 9.29 C ATOM 2083 C VAL B 45 -4.700 5.140 -13.033 1.00 9.95 C ATOM 2084 O VAL B 45 -5.407 5.960 -13.583 1.00 9.36 O ATOM 2085 CB VAL B 45 -2.603 5.755 -11.802 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.394 6.987 -11.358 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -2.699 4.669 -10.727 1.00 10.20 C ATOM 0 H VAL B 45 -3.006 7.124 -14.070 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.772 4.227 -13.307 1.00 9.29 H new ATOM 0 HB VAL B 45 -1.558 6.031 -11.947 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -2.985 7.363 -10.420 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -3.321 7.761 -12.122 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -4.440 6.716 -11.215 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -2.292 5.048 -9.789 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -3.743 4.390 -10.583 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -2.130 3.794 -11.042 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.213 4.148 -12.358 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.694 4.005 -12.252 1.00 12.81 C ATOM 2099 C LYS B 46 -7.234 4.898 -11.132 1.00 13.35 C ATOM 2100 O LYS B 46 -6.509 5.321 -10.253 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.043 2.546 -11.949 1.00 17.04 C ATOM 2102 CG LYS B 46 -6.203 1.625 -12.835 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.121 0.639 -13.559 1.00 33.77 C ATOM 2104 CE LYS B 46 -7.238 1.036 -15.032 1.00 34.48 C ATOM 2105 NZ LYS B 46 -8.231 0.154 -15.708 1.00 36.74 N ATOM 0 H LYS B 46 -4.672 3.431 -11.875 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.147 4.306 -13.196 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.855 2.327 -10.898 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -8.104 2.370 -12.127 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -5.640 2.214 -13.559 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -5.476 1.084 -12.230 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -6.724 -0.373 -13.475 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -8.107 0.635 -13.093 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -7.546 2.078 -15.115 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -6.268 0.950 -15.521 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -8.310 0.424 -16.709 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -7.919 -0.836 -15.640 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -9.158 0.257 -15.247 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.509 5.181 -11.161 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.118 6.037 -10.110 1.00 16.93 C ATOM 2121 C ILE B 47 -10.620 5.727 -10.028 1.00 16.52 C ATOM 2122 O ILE B 47 -11.347 5.881 -10.990 1.00 17.67 O ATOM 2123 CB ILE B 47 -8.888 7.516 -10.467 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -8.844 8.355 -9.191 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.007 8.032 -11.372 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -10.000 7.964 -8.273 1.00 18.26 C ATOM 0 H ILE B 47 -9.158 4.851 -11.876 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.660 5.837 -9.141 1.00 16.93 H new ATOM 0 HB ILE B 47 -7.939 7.599 -10.996 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -7.894 8.204 -8.679 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -8.907 9.414 -9.439 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -9.826 9.079 -11.613 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.030 7.447 -12.291 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -10.963 7.938 -10.858 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -9.963 8.566 -7.365 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -10.946 8.138 -8.785 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -9.917 6.909 -8.013 1.00 18.26 H new ATOM 2138 N THR B 48 -11.088 5.282 -8.896 1.00 16.86 N ATOM 2139 CA THR B 48 -12.537 4.957 -8.768 1.00 16.59 C ATOM 2140 C THR B 48 -13.373 6.209 -9.039 1.00 19.04 C ATOM 2141 O THR B 48 -12.915 7.322 -8.883 1.00 22.56 O ATOM 2142 CB THR B 48 -12.824 4.448 -7.355 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.704 3.711 -6.883 1.00 17.90 O ATOM 2144 CG2 THR B 48 -14.060 3.548 -7.376 1.00 16.02 C ATOM 0 H THR B 48 -10.532 5.129 -8.055 1.00 16.86 H new ATOM 0 HA THR B 48 -12.798 4.186 -9.493 1.00 16.59 H new ATOM 0 HB THR B 48 -13.007 5.294 -6.693 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.936 2.760 -6.831 1.00 17.90 H new ATOM 0 HG21 THR B 48 -14.264 3.186 -6.368 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.917 4.116 -7.738 1.00 16.02 H new ATOM 0 HG23 THR B 48 -13.881 2.700 -8.037 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.599 6.029 -9.446 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.480 7.196 -9.737 1.00 18.82 C ATOM 2154 C LEU B 49 -16.829 6.987 -9.043 1.00 20.06 C ATOM 2155 O LEU B 49 -17.606 6.133 -9.423 1.00 18.35 O ATOM 2156 CB LEU B 49 -15.688 7.305 -11.256 1.00 18.79 C ATOM 2157 CG LEU B 49 -15.635 8.767 -11.698 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -16.902 9.490 -11.235 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.404 9.449 -11.095 1.00 14.50 C ATOM 0 H LEU B 49 -15.032 5.117 -9.591 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.020 8.113 -9.369 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -14.920 6.733 -11.777 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -16.649 6.870 -11.530 1.00 18.79 H new ATOM 0 HG LEU B 49 -15.570 8.810 -12.785 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -16.862 10.532 -11.551 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -17.776 9.010 -11.675 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -16.971 9.443 -10.148 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.372 10.491 -11.414 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.459 9.404 -10.007 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -13.503 8.938 -11.434 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.111 7.754 -8.025 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.405 7.593 -7.305 1.00 27.04 C ATOM 2173 C ASP B 50 -19.563 7.922 -8.247 1.00 27.73 C ATOM 2174 O ASP B 50 -19.458 8.783 -9.099 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.441 8.538 -6.103 1.00 29.11 C ATOM 2176 CG ASP B 50 -18.542 7.722 -4.813 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -19.514 7.000 -4.667 1.00 33.99 O ATOM 2178 OD2 ASP B 50 -17.644 7.832 -3.994 1.00 30.76 O ATOM 0 H ASP B 50 -16.500 8.485 -7.661 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.501 6.563 -6.962 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -17.543 9.155 -6.086 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -19.291 9.215 -6.185 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.668 7.244 -8.101 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.833 7.515 -8.985 1.00 34.22 C ATOM 2185 C GLU B 51 -22.020 9.021 -9.139 1.00 34.98 C ATOM 2186 O GLU B 51 -21.510 9.633 -10.056 1.00 34.19 O ATOM 2187 CB GLU B 51 -23.091 6.902 -8.365 1.00 38.24 C ATOM 2188 CG GLU B 51 -24.318 7.349 -9.158 1.00 46.84 C ATOM 2189 CD GLU B 51 -25.587 6.988 -8.385 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -25.824 7.598 -7.356 1.00 53.83 O ATOM 2191 OE2 GLU B 51 -26.301 6.107 -8.836 1.00 54.92 O ATOM 0 H GLU B 51 -20.813 6.512 -7.405 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.657 7.073 -9.966 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -23.019 5.814 -8.369 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -23.185 7.212 -7.324 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -24.279 8.424 -9.332 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -24.327 6.868 -10.136 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.752 9.613 -8.247 1.00 34.53 N ATOM 2199 CA GLY B 52 -22.992 11.086 -8.321 1.00 34.93 C ATOM 2200 C GLY B 52 -21.699 11.804 -8.711 1.00 36.10 C ATOM 2201 O GLY B 52 -21.712 12.754 -9.468 1.00 35.97 O ATOM 0 H GLY B 52 -23.201 9.142 -7.461 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -23.772 11.300 -9.052 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -23.347 11.454 -7.359 1.00 34.93 H new ATOM 2205 N GLN B 53 -20.580 11.363 -8.202 1.00 36.52 N ATOM 2206 CA GLN B 53 -19.296 12.030 -8.552 1.00 35.40 C ATOM 2207 C GLN B 53 -19.025 11.855 -10.052 1.00 31.02 C ATOM 2208 O GLN B 53 -19.027 10.746 -10.547 1.00 29.05 O ATOM 2209 CB GLN B 53 -18.158 11.389 -7.755 1.00 41.20 C ATOM 2210 CG GLN B 53 -17.402 12.472 -6.987 1.00 47.61 C ATOM 2211 CD GLN B 53 -15.902 12.345 -7.264 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -15.367 11.255 -7.285 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -15.197 13.422 -7.479 1.00 54.76 N ATOM 0 H GLN B 53 -20.501 10.573 -7.562 1.00 36.52 H new ATOM 0 HA GLN B 53 -19.359 13.091 -8.312 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -18.557 10.648 -7.062 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -17.479 10.864 -8.427 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -17.755 13.459 -7.287 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -17.594 12.376 -5.918 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -15.646 14.338 -7.461 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -14.197 13.348 -7.665 1.00 54.76 H new ATOM 2222 N PRO B 54 -18.799 12.951 -10.735 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.523 12.937 -12.182 1.00 23.44 C ATOM 2224 C PRO B 54 -17.063 12.554 -12.444 1.00 20.14 C ATOM 2225 O PRO B 54 -16.178 12.903 -11.688 1.00 21.64 O ATOM 2226 CB PRO B 54 -18.791 14.376 -12.615 1.00 24.39 C ATOM 2227 CG PRO B 54 -18.649 15.244 -11.347 1.00 27.18 C ATOM 2228 CD PRO B 54 -18.803 14.301 -10.140 1.00 28.37 C ATOM 0 HA PRO B 54 -19.131 12.214 -12.725 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.083 14.689 -13.382 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -19.789 14.474 -13.043 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -17.680 15.742 -11.327 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.409 16.025 -11.326 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -17.986 14.426 -9.430 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -19.729 14.495 -9.598 1.00 28.37 H new ATOM 2236 N ALA B 55 -16.807 11.838 -13.507 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.410 11.431 -13.823 1.00 15.58 C ATOM 2238 C ALA B 55 -14.443 12.581 -13.532 1.00 16.41 C ATOM 2239 O ALA B 55 -14.765 13.739 -13.712 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.320 11.062 -15.301 1.00 13.98 C ATOM 0 H ALA B 55 -17.511 11.517 -14.172 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.140 10.575 -13.204 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.299 10.763 -15.540 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -15.999 10.236 -15.512 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.597 11.923 -15.909 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.255 12.267 -13.089 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.261 13.335 -12.793 1.00 14.61 C ATOM 2248 C TYR B 56 -12.108 14.234 -14.023 1.00 15.51 C ATOM 2249 O TYR B 56 -11.608 13.821 -15.049 1.00 17.19 O ATOM 2250 CB TYR B 56 -10.917 12.690 -12.432 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.071 11.943 -11.121 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.595 10.647 -11.114 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -10.713 12.560 -9.917 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -11.756 9.965 -9.904 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -10.877 11.880 -8.706 1.00 7.90 C ATOM 2256 CZ TYR B 56 -11.399 10.582 -8.699 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.565 9.912 -7.505 1.00 12.03 O ATOM 0 H TYR B 56 -12.931 11.315 -12.920 1.00 15.93 H new ATOM 0 HA TYR B 56 -12.600 13.939 -11.951 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -10.602 12.007 -13.221 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.144 13.453 -12.343 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -11.875 10.173 -12.043 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -10.310 13.562 -9.923 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -12.156 8.962 -9.899 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -10.601 12.356 -7.777 1.00 7.90 H new ATOM 0 HH TYR B 56 -11.267 10.482 -6.766 1.00 12.03 H new ATOM 2267 N ALA B 57 -12.551 15.460 -13.927 1.00 13.38 N ATOM 2268 CA ALA B 57 -12.450 16.394 -15.087 1.00 14.95 C ATOM 2269 C ALA B 57 -10.976 16.711 -15.365 1.00 15.46 C ATOM 2270 O ALA B 57 -10.100 16.203 -14.693 1.00 17.82 O ATOM 2271 CB ALA B 57 -13.201 17.684 -14.754 1.00 14.98 C ATOM 0 H ALA B 57 -12.980 15.856 -13.091 1.00 13.38 H new ATOM 0 HA ALA B 57 -12.888 15.932 -15.972 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -13.133 18.373 -15.596 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -14.248 17.455 -14.557 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -12.758 18.145 -13.871 1.00 14.98 H new ATOM 2277 N PRO B 58 -10.744 17.543 -16.352 1.00 15.20 N ATOM 2278 CA PRO B 58 -9.383 17.945 -16.743 1.00 16.55 C ATOM 2279 C PRO B 58 -8.837 18.991 -15.770 1.00 16.75 C ATOM 2280 O PRO B 58 -9.487 19.971 -15.465 1.00 17.28 O ATOM 2281 CB PRO B 58 -9.567 18.532 -18.145 1.00 15.65 C ATOM 2282 CG PRO B 58 -11.053 18.948 -18.253 1.00 14.16 C ATOM 2283 CD PRO B 58 -11.812 18.162 -17.167 1.00 13.96 C ATOM 0 HA PRO B 58 -8.670 17.121 -16.729 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -8.912 19.390 -18.296 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -9.313 17.798 -18.910 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -11.166 20.022 -18.104 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -11.448 18.720 -19.243 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -12.441 18.819 -16.566 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -12.466 17.408 -17.605 1.00 13.96 H new ATOM 2291 N GLY B 59 -7.648 18.785 -15.276 1.00 17.22 N ATOM 2292 CA GLY B 59 -7.058 19.759 -14.317 1.00 15.08 C ATOM 2293 C GLY B 59 -6.010 19.049 -13.460 1.00 14.96 C ATOM 2294 O GLY B 59 -6.178 17.909 -13.099 1.00 13.79 O ATOM 0 H GLY B 59 -7.058 17.982 -15.496 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -6.602 20.589 -14.857 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -7.838 20.181 -13.683 1.00 15.08 H new ATOM 2298 N LEU B 60 -4.930 19.703 -13.127 1.00 15.83 N ATOM 2299 CA LEU B 60 -3.895 19.033 -12.290 1.00 14.53 C ATOM 2300 C LEU B 60 -4.579 18.306 -11.132 1.00 14.15 C ATOM 2301 O LEU B 60 -5.506 18.814 -10.532 1.00 13.27 O ATOM 2302 CB LEU B 60 -2.926 20.080 -11.742 1.00 15.84 C ATOM 2303 CG LEU B 60 -1.630 20.027 -12.546 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -1.871 20.607 -13.942 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -0.551 20.844 -11.831 1.00 15.01 C ATOM 0 H LEU B 60 -4.721 20.664 -13.396 1.00 15.83 H new ATOM 0 HA LEU B 60 -3.341 18.314 -12.894 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -3.369 21.074 -11.807 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -2.723 19.890 -10.688 1.00 15.84 H new ATOM 0 HG LEU B 60 -1.300 18.992 -12.636 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -0.945 20.569 -14.516 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -2.638 20.023 -14.451 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -2.201 21.642 -13.854 1.00 19.57 H new ATOM 0 HD21 LEU B 60 0.375 20.806 -12.405 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -0.879 21.879 -11.740 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -0.379 20.429 -10.838 1.00 15.01 H new ATOM 2317 N TYR B 61 -4.143 17.116 -10.816 1.00 11.12 N ATOM 2318 CA TYR B 61 -4.792 16.371 -9.707 1.00 9.57 C ATOM 2319 C TYR B 61 -3.815 16.087 -8.586 1.00 11.76 C ATOM 2320 O TYR B 61 -2.614 16.170 -8.732 1.00 11.26 O ATOM 2321 CB TYR B 61 -5.369 15.053 -10.216 1.00 9.42 C ATOM 2322 CG TYR B 61 -6.750 15.333 -10.726 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -6.928 15.765 -12.039 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -7.847 15.206 -9.870 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -8.208 16.067 -12.505 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -9.128 15.513 -10.331 1.00 13.99 C ATOM 2327 CZ TYR B 61 -9.306 15.944 -11.650 1.00 11.06 C ATOM 2328 OH TYR B 61 -10.570 16.251 -12.113 1.00 14.61 O ATOM 0 H TYR B 61 -3.371 16.633 -11.276 1.00 11.12 H new ATOM 0 HA TYR B 61 -5.595 16.998 -9.320 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -4.744 14.641 -11.008 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.398 14.313 -9.416 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.076 15.866 -12.695 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -7.704 14.871 -8.853 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -8.350 16.395 -13.524 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -9.978 15.418 -9.672 1.00 13.99 H new ATOM 0 HH TYR B 61 -10.504 16.644 -13.008 1.00 14.61 H new ATOM 2338 N THR B 62 -4.352 15.735 -7.466 1.00 12.22 N ATOM 2339 CA THR B 62 -3.525 15.407 -6.296 1.00 14.26 C ATOM 2340 C THR B 62 -4.255 14.313 -5.551 1.00 15.40 C ATOM 2341 O THR B 62 -5.403 14.461 -5.181 1.00 16.24 O ATOM 2342 CB THR B 62 -3.368 16.630 -5.402 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.629 16.978 -4.848 1.00 18.36 O ATOM 2344 CG2 THR B 62 -2.831 17.793 -6.232 1.00 11.61 C ATOM 0 H THR B 62 -5.357 15.660 -7.311 1.00 12.22 H new ATOM 0 HA THR B 62 -2.527 15.087 -6.596 1.00 14.26 H new ATOM 0 HB THR B 62 -2.671 16.408 -4.594 1.00 15.07 H new ATOM 0 HG1 THR B 62 -4.608 17.910 -4.546 1.00 18.36 H new ATOM 0 HG21 THR B 62 -2.717 18.671 -5.597 1.00 11.61 H new ATOM 0 HG22 THR B 62 -1.863 17.522 -6.654 1.00 11.61 H new ATOM 0 HG23 THR B 62 -3.529 18.017 -7.039 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.628 13.207 -5.347 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.335 12.117 -4.649 1.00 15.17 C ATOM 2354 C VAL B 63 -4.735 12.603 -3.263 1.00 14.24 C ATOM 2355 O VAL B 63 -4.242 13.601 -2.776 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.456 10.880 -4.551 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.354 9.650 -4.466 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.568 10.777 -5.797 1.00 18.64 C ATOM 0 H VAL B 63 -2.668 13.008 -5.628 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.227 11.842 -5.212 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.823 10.945 -3.666 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.738 8.754 -4.395 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.990 9.724 -3.584 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -4.977 9.592 -5.358 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -1.939 9.890 -5.723 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.195 10.705 -6.686 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -1.937 11.663 -5.869 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.635 11.918 -2.634 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.085 12.349 -1.287 1.00 10.78 C ATOM 2370 C HIS B 64 -5.833 11.224 -0.286 1.00 14.19 C ATOM 2371 O HIS B 64 -6.200 10.084 -0.514 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.581 12.675 -1.334 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.916 13.690 -0.274 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.371 13.639 0.999 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.757 14.776 -0.277 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.888 14.657 1.705 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.738 15.385 0.976 1.00 20.65 N ATOM 0 H HIS B 64 -6.082 11.074 -2.993 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.531 13.236 -0.979 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.847 13.062 -2.318 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.165 11.768 -1.179 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.343 15.107 -1.121 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.646 14.862 2.737 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.261 16.209 1.273 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.212 11.533 0.823 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.937 10.487 1.842 1.00 14.44 C ATOM 2387 C LEU B 65 -6.234 10.104 2.558 1.00 12.66 C ATOM 2388 O LEU B 65 -6.234 9.277 3.448 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.918 11.012 2.855 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.608 11.948 3.826 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.729 11.259 5.186 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.799 13.235 3.965 1.00 19.03 C ATOM 0 H LEU B 65 -4.884 12.468 1.064 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.531 9.604 1.349 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.464 10.181 3.395 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -3.113 11.535 2.339 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.602 12.195 3.454 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -5.225 11.928 5.890 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -5.314 10.345 5.080 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.735 11.013 5.559 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.299 13.905 4.664 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.802 13.000 4.338 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.718 13.720 2.992 1.00 19.03 H new ATOM 2404 N SER B 66 -7.349 10.668 2.164 1.00 13.51 N ATOM 2405 CA SER B 66 -8.623 10.287 2.819 1.00 10.39 C ATOM 2406 C SER B 66 -8.766 8.773 2.678 1.00 8.56 C ATOM 2407 O SER B 66 -9.516 8.130 3.385 1.00 11.70 O ATOM 2408 CB SER B 66 -9.791 10.983 2.117 1.00 12.88 C ATOM 2409 OG SER B 66 -10.895 10.091 2.046 1.00 14.72 O ATOM 0 H SER B 66 -7.425 11.367 1.425 1.00 13.51 H new ATOM 0 HA SER B 66 -8.626 10.582 3.868 1.00 10.39 H new ATOM 0 HB2 SER B 66 -10.072 11.885 2.661 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.495 11.294 1.115 1.00 12.88 H new ATOM 0 HG SER B 66 -11.646 10.534 1.598 1.00 14.72 H new ATOM 2415 N SER B 67 -8.037 8.209 1.748 1.00 7.98 N ATOM 2416 CA SER B 67 -8.095 6.745 1.516 1.00 8.20 C ATOM 2417 C SER B 67 -6.952 6.039 2.260 1.00 11.02 C ATOM 2418 O SER B 67 -6.880 4.827 2.287 1.00 11.45 O ATOM 2419 CB SER B 67 -7.963 6.475 0.019 1.00 8.01 C ATOM 2420 OG SER B 67 -8.659 7.484 -0.701 1.00 11.22 O ATOM 0 H SER B 67 -7.397 8.713 1.134 1.00 7.98 H new ATOM 0 HA SER B 67 -9.046 6.362 1.887 1.00 8.20 H new ATOM 0 HB2 SER B 67 -6.912 6.465 -0.270 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.369 5.493 -0.223 1.00 8.01 H new ATOM 0 HG SER B 67 -9.113 7.082 -1.471 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.044 6.779 2.846 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.904 6.128 3.559 1.00 11.79 C ATOM 2428 C PHE B 68 -5.310 5.792 4.996 1.00 12.69 C ATOM 2429 O PHE B 68 -6.257 6.333 5.531 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.694 7.075 3.589 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.414 7.629 2.207 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.097 7.136 1.084 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.491 8.671 2.059 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -3.853 7.686 -0.177 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -2.253 9.222 0.798 1.00 10.35 C ATOM 2436 CZ PHE B 68 -2.935 8.730 -0.319 1.00 11.87 C ATOM 0 H PHE B 68 -6.043 7.799 2.861 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.639 5.213 3.030 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.884 7.894 4.283 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.817 6.542 3.957 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.810 6.333 1.195 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -1.962 9.049 2.921 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.374 7.304 -1.042 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.543 10.028 0.686 1.00 10.35 H new ATOM 0 HZ PHE B 68 -2.752 9.158 -1.294 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.588 4.904 5.623 1.00 12.51 N ATOM 2447 CA LYS B 69 -4.909 4.526 7.029 1.00 15.38 C ATOM 2448 C LYS B 69 -3.605 4.253 7.782 1.00 15.02 C ATOM 2449 O LYS B 69 -2.558 4.086 7.188 1.00 15.36 O ATOM 2450 CB LYS B 69 -5.774 3.261 7.046 1.00 16.04 C ATOM 2451 CG LYS B 69 -6.613 3.186 5.768 1.00 20.35 C ATOM 2452 CD LYS B 69 -7.532 1.964 5.830 1.00 21.35 C ATOM 2453 CE LYS B 69 -6.687 0.693 5.948 1.00 30.24 C ATOM 2454 NZ LYS B 69 -7.529 -0.495 5.631 1.00 32.70 N ATOM 0 H LYS B 69 -3.785 4.421 5.220 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.455 5.340 7.506 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -5.140 2.378 7.128 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -6.426 3.268 7.920 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -7.205 4.094 5.656 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -5.962 3.120 4.896 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -8.206 2.046 6.683 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -8.154 1.918 4.936 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -5.838 0.743 5.266 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -6.281 0.606 6.956 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -7.017 -1.362 5.889 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -8.417 -0.445 6.170 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -7.742 -0.508 4.613 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.658 4.200 9.085 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.420 3.932 9.869 1.00 13.49 C ATOM 2470 C VAL B 70 -2.612 2.670 10.711 1.00 11.85 C ATOM 2471 O VAL B 70 -3.587 2.529 11.423 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.119 5.114 10.785 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -0.619 5.157 11.087 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -2.540 6.415 10.097 1.00 15.63 C ATOM 0 H VAL B 70 -4.504 4.331 9.640 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.586 3.790 9.182 1.00 13.49 H new ATOM 0 HB VAL B 70 -2.674 5.001 11.717 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.404 6.002 11.742 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.320 4.231 11.579 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.063 5.269 10.156 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -2.325 7.259 10.752 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -1.987 6.529 9.165 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -3.609 6.385 9.884 1.00 15.63 H new ATOM 2484 N GLY B 71 -1.691 1.751 10.633 1.00 11.15 N ATOM 2485 CA GLY B 71 -1.818 0.496 11.426 1.00 11.07 C ATOM 2486 C GLY B 71 -0.929 -0.585 10.809 1.00 12.15 C ATOM 2487 O GLY B 71 0.081 -0.296 10.198 1.00 12.70 O ATOM 0 H GLY B 71 -0.854 1.815 10.053 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -1.527 0.675 12.461 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.856 0.165 11.440 1.00 11.07 H new ATOM 2491 N GLN B 72 -1.293 -1.828 10.963 1.00 15.78 N ATOM 2492 CA GLN B 72 -0.464 -2.921 10.384 1.00 19.42 C ATOM 2493 C GLN B 72 0.985 -2.745 10.833 1.00 16.97 C ATOM 2494 O GLN B 72 1.855 -2.425 10.047 1.00 20.46 O ATOM 2495 CB GLN B 72 -0.537 -2.863 8.857 1.00 22.64 C ATOM 2496 CG GLN B 72 -0.646 -4.282 8.296 1.00 25.29 C ATOM 2497 CD GLN B 72 0.635 -5.056 8.609 1.00 26.29 C ATOM 2498 OE1 GLN B 72 1.697 -4.717 8.126 1.00 26.22 O ATOM 2499 NE2 GLN B 72 0.581 -6.089 9.404 1.00 25.15 N ATOM 0 H GLN B 72 -2.127 -2.133 11.464 1.00 15.78 H new ATOM 0 HA GLN B 72 -0.838 -3.886 10.727 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -1.398 -2.271 8.546 1.00 22.64 H new ATOM 0 HB3 GLN B 72 0.350 -2.370 8.459 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -1.506 -4.791 8.731 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -0.808 -4.247 7.219 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -0.310 -6.374 9.810 1.00 25.15 H new ATOM 0 HE22 GLN B 72 1.430 -6.611 9.620 1.00 25.15 H new ATOM 2508 N PHE B 73 1.249 -2.944 12.094 1.00 14.56 N ATOM 2509 CA PHE B 73 2.642 -2.782 12.598 1.00 14.60 C ATOM 2510 C PHE B 73 3.010 -1.298 12.601 1.00 15.63 C ATOM 2511 O PHE B 73 4.134 -0.927 12.874 1.00 17.80 O ATOM 2512 CB PHE B 73 3.605 -3.546 11.688 1.00 12.63 C ATOM 2513 CG PHE B 73 4.230 -4.680 12.461 1.00 14.99 C ATOM 2514 CD1 PHE B 73 3.446 -5.768 12.863 1.00 16.27 C ATOM 2515 CD2 PHE B 73 5.593 -4.644 12.777 1.00 19.79 C ATOM 2516 CE1 PHE B 73 4.027 -6.822 13.580 1.00 20.44 C ATOM 2517 CE2 PHE B 73 6.173 -5.697 13.494 1.00 18.68 C ATOM 2518 CZ PHE B 73 5.390 -6.786 13.896 1.00 17.88 C ATOM 0 H PHE B 73 0.561 -3.212 12.798 1.00 14.56 H new ATOM 0 HA PHE B 73 2.712 -3.176 13.612 1.00 14.60 H new ATOM 0 HB2 PHE B 73 3.072 -3.933 10.819 1.00 12.63 H new ATOM 0 HB3 PHE B 73 4.379 -2.876 11.314 1.00 12.63 H new ATOM 0 HD1 PHE B 73 2.394 -5.795 12.621 1.00 16.27 H new ATOM 0 HD2 PHE B 73 6.197 -3.804 12.468 1.00 19.79 H new ATOM 0 HE1 PHE B 73 3.423 -7.662 13.889 1.00 20.44 H new ATOM 0 HE2 PHE B 73 7.225 -5.669 13.737 1.00 18.68 H new ATOM 0 HZ PHE B 73 5.838 -7.598 14.450 1.00 17.88 H new ATOM 2528 N GLY B 74 2.070 -0.446 12.298 1.00 13.82 N ATOM 2529 CA GLY B 74 2.362 1.015 12.283 1.00 13.44 C ATOM 2530 C GLY B 74 2.908 1.414 10.911 1.00 10.42 C ATOM 2531 O GLY B 74 3.894 2.116 10.805 1.00 13.62 O ATOM 0 H GLY B 74 1.111 -0.699 12.060 1.00 13.82 H new ATOM 0 HA2 GLY B 74 1.456 1.580 12.504 1.00 13.44 H new ATOM 0 HA3 GLY B 74 3.087 1.259 13.059 1.00 13.44 H new ATOM 2535 N SER B 75 2.276 0.970 9.859 1.00 12.64 N ATOM 2536 CA SER B 75 2.763 1.324 8.496 1.00 12.47 C ATOM 2537 C SER B 75 1.629 1.968 7.694 1.00 12.47 C ATOM 2538 O SER B 75 0.625 1.345 7.412 1.00 11.32 O ATOM 2539 CB SER B 75 3.235 0.058 7.780 1.00 11.21 C ATOM 2540 OG SER B 75 4.413 -0.427 8.411 1.00 18.27 O ATOM 0 H SER B 75 1.445 0.379 9.884 1.00 12.64 H new ATOM 0 HA SER B 75 3.591 2.028 8.580 1.00 12.47 H new ATOM 0 HB2 SER B 75 2.454 -0.702 7.808 1.00 11.21 H new ATOM 0 HB3 SER B 75 3.433 0.273 6.730 1.00 11.21 H new ATOM 0 HG SER B 75 4.717 -1.240 7.955 1.00 18.27 H new ATOM 2546 N LEU B 76 1.784 3.209 7.321 1.00 12.43 N ATOM 2547 CA LEU B 76 0.717 3.888 6.533 1.00 12.18 C ATOM 2548 C LEU B 76 0.481 3.115 5.235 1.00 12.07 C ATOM 2549 O LEU B 76 1.391 2.536 4.675 1.00 9.82 O ATOM 2550 CB LEU B 76 1.155 5.317 6.205 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.064 6.145 5.796 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -0.142 7.402 6.665 1.00 9.28 C ATOM 2553 CD2 LEU B 76 0.065 6.547 4.324 1.00 7.80 C ATOM 0 H LEU B 76 2.603 3.781 7.528 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.205 3.918 7.114 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.640 5.768 7.071 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.888 5.308 5.399 1.00 11.99 H new ATOM 0 HG LEU B 76 -0.969 5.553 5.933 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -1.011 7.992 6.374 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.233 7.115 7.713 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.762 7.995 6.529 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -0.803 7.137 4.031 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.970 7.139 4.186 1.00 7.80 H new ATOM 0 HD23 LEU B 76 0.120 5.651 3.706 1.00 7.80 H new ATOM 2565 N MET B 77 -0.731 3.097 4.752 1.00 14.08 N ATOM 2566 CA MET B 77 -1.016 2.355 3.491 1.00 14.12 C ATOM 2567 C MET B 77 -2.319 2.869 2.875 1.00 11.37 C ATOM 2568 O MET B 77 -3.322 3.009 3.546 1.00 11.44 O ATOM 2569 CB MET B 77 -1.157 0.861 3.797 1.00 16.48 C ATOM 2570 CG MET B 77 0.180 0.309 4.293 1.00 24.75 C ATOM 2571 SD MET B 77 0.083 -1.495 4.407 1.00 35.11 S ATOM 2572 CE MET B 77 1.344 -1.707 5.687 1.00 33.86 C ATOM 0 H MET B 77 -1.534 3.563 5.174 1.00 14.08 H new ATOM 0 HA MET B 77 -0.196 2.510 2.790 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.928 0.706 4.551 1.00 16.48 H new ATOM 0 HB3 MET B 77 -1.474 0.325 2.902 1.00 16.48 H new ATOM 0 HG2 MET B 77 0.980 0.599 3.612 1.00 24.75 H new ATOM 0 HG3 MET B 77 0.422 0.733 5.268 1.00 24.75 H new ATOM 0 HE1 MET B 77 1.567 -2.767 5.806 1.00 33.86 H new ATOM 0 HE2 MET B 77 2.250 -1.175 5.397 1.00 33.86 H new ATOM 0 HE3 MET B 77 0.975 -1.306 6.631 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.311 3.146 1.601 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.546 3.648 0.937 1.00 11.62 C ATOM 2584 C ILE B 78 -4.609 2.545 0.914 1.00 11.45 C ATOM 2585 O ILE B 78 -4.316 1.391 0.672 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.228 4.038 -0.501 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.212 5.182 -0.520 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.512 4.476 -1.204 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.896 4.680 -1.116 1.00 13.67 C ATOM 0 H ILE B 78 -1.501 3.046 0.990 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.917 4.511 1.490 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.803 3.179 -1.021 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.596 6.015 -1.108 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -2.048 5.555 0.491 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.286 4.755 -2.233 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.228 3.654 -1.200 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.939 5.332 -0.681 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.170 5.493 -1.131 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.511 3.861 -0.509 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.068 4.328 -2.133 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.842 2.898 1.142 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.935 1.881 1.111 1.00 14.79 C ATOM 2603 C ASP B 79 -7.774 2.089 -0.157 1.00 15.20 C ATOM 2604 O ASP B 79 -8.605 1.278 -0.511 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.824 2.044 2.346 1.00 12.21 C ATOM 2606 CG ASP B 79 -8.584 0.741 2.605 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -7.947 -0.228 2.982 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -9.790 0.735 2.420 1.00 21.87 O ATOM 0 H ASP B 79 -6.144 3.850 1.350 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.506 0.879 1.109 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.216 2.301 3.213 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.527 2.863 2.195 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.545 3.179 -0.837 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.292 3.492 -2.087 1.00 17.14 C ATOM 2615 C ARG B 80 -8.074 4.971 -2.375 1.00 14.98 C ATOM 2616 O ARG B 80 -8.964 5.789 -2.261 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.785 3.201 -1.909 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.564 3.786 -3.089 1.00 22.76 C ATOM 2619 CD ARG B 80 -11.538 2.738 -3.629 1.00 28.43 C ATOM 2620 NE ARG B 80 -12.928 3.099 -3.228 1.00 33.10 N ATOM 2621 CZ ARG B 80 -13.949 2.525 -3.808 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -13.758 1.627 -4.737 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -15.163 2.850 -3.456 1.00 35.04 N ATOM 0 H ARG B 80 -6.855 3.882 -0.571 1.00 17.08 H new ATOM 0 HA ARG B 80 -7.936 2.876 -2.913 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -9.952 2.126 -1.847 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.142 3.633 -0.974 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.109 4.675 -2.773 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.875 4.096 -3.875 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -11.464 2.683 -4.715 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.280 1.752 -3.241 1.00 28.43 H new ATOM 0 HE ARG B 80 -13.082 3.796 -2.499 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -12.810 1.372 -5.012 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -14.557 1.181 -5.187 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -15.313 3.550 -2.730 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -15.962 2.404 -3.907 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.864 5.298 -2.700 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.472 6.707 -2.959 1.00 11.27 C ATOM 2639 C LEU B 81 -7.624 7.529 -3.558 1.00 15.61 C ATOM 2640 O LEU B 81 -8.113 7.254 -4.635 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.254 6.706 -3.887 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.693 6.750 -5.347 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.450 6.748 -6.241 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.545 5.512 -5.654 1.00 18.72 C ATOM 0 H LEU B 81 -6.103 4.626 -2.801 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.221 7.185 -2.012 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.621 7.565 -3.666 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.654 5.813 -3.708 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.278 7.650 -5.533 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.754 6.779 -7.287 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.838 7.621 -6.015 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.872 5.842 -6.058 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.862 5.538 -6.697 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.956 4.612 -5.476 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.423 5.505 -5.008 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.041 8.556 -2.863 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.134 9.423 -3.385 1.00 12.72 C ATOM 2658 C ARG B 82 -8.498 10.573 -4.171 1.00 13.33 C ATOM 2659 O ARG B 82 -7.853 11.438 -3.613 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.947 9.984 -2.216 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.066 9.004 -1.854 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.216 9.153 -2.849 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.357 9.866 -2.193 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.811 9.488 -1.025 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -13.412 8.367 -0.484 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -14.715 10.210 -0.421 1.00 16.89 N ATOM 0 H ARG B 82 -7.669 8.830 -1.954 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.798 8.848 -4.031 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.300 10.147 -1.354 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -10.370 10.952 -2.485 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -10.688 7.982 -1.870 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.420 9.198 -0.841 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -11.882 9.708 -3.726 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -12.539 8.172 -3.197 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.789 10.661 -2.665 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -12.739 7.776 -0.973 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -13.773 8.083 0.427 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -15.063 11.063 -0.859 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -15.073 9.922 0.489 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.647 10.572 -5.466 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.022 11.647 -6.293 1.00 13.86 C ATOM 2682 C LEU B 83 -8.798 12.961 -6.179 1.00 13.02 C ATOM 2683 O LEU B 83 -9.977 12.987 -5.888 1.00 14.40 O ATOM 2684 CB LEU B 83 -7.993 11.216 -7.760 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.551 11.206 -8.269 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.549 10.942 -9.776 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -5.902 12.565 -7.989 1.00 10.58 C ATOM 0 H LEU B 83 -9.175 9.874 -5.990 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.009 11.807 -5.923 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.432 10.224 -7.866 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.596 11.897 -8.361 1.00 9.93 H new ATOM 0 HG LEU B 83 -5.989 10.423 -7.760 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.523 10.934 -10.143 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -7.013 9.977 -9.977 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.110 11.727 -10.284 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -4.874 12.559 -8.351 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.462 13.348 -8.500 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -5.907 12.757 -6.916 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.122 14.052 -6.419 1.00 11.81 N ATOM 2700 CA VAL B 84 -8.761 15.386 -6.351 1.00 12.86 C ATOM 2701 C VAL B 84 -7.890 16.364 -7.147 1.00 14.98 C ATOM 2702 O VAL B 84 -6.692 16.195 -7.210 1.00 13.59 O ATOM 2703 CB VAL B 84 -8.832 15.825 -4.892 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.702 14.846 -4.102 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.421 15.850 -4.298 1.00 17.34 C ATOM 0 H VAL B 84 -7.132 14.069 -6.664 1.00 11.81 H new ATOM 0 HA VAL B 84 -9.769 15.360 -6.765 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.269 16.822 -4.835 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.751 15.162 -3.060 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.707 14.830 -4.524 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.269 13.847 -4.158 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.471 16.164 -3.255 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -6.984 14.853 -4.357 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -6.803 16.551 -4.859 1.00 17.34 H new ATOM 2715 N PRO B 85 -8.504 17.358 -7.731 1.00 18.65 N ATOM 2716 CA PRO B 85 -7.779 18.367 -8.524 1.00 22.41 C ATOM 2717 C PRO B 85 -6.773 19.123 -7.644 1.00 25.70 C ATOM 2718 O PRO B 85 -7.048 19.447 -6.506 1.00 22.08 O ATOM 2719 CB PRO B 85 -8.887 19.264 -9.078 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.108 19.024 -8.177 1.00 18.95 C ATOM 2721 CD PRO B 85 -9.951 17.592 -7.637 1.00 20.63 C ATOM 0 HA PRO B 85 -7.177 17.944 -9.328 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -8.588 20.312 -9.060 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.111 19.014 -10.115 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.142 19.748 -7.363 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.036 19.131 -8.738 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.307 17.507 -6.610 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -10.515 16.873 -8.231 1.00 20.63 H new ATOM 2729 N ALA B 86 -5.598 19.385 -8.160 1.00 31.74 N ATOM 2730 CA ALA B 86 -4.559 20.094 -7.355 1.00 39.94 C ATOM 2731 C ALA B 86 -5.028 21.518 -7.052 1.00 46.96 C ATOM 2732 O ALA B 86 -5.238 22.316 -7.944 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.250 20.140 -8.149 1.00 39.70 C ATOM 0 H ALA B 86 -5.314 19.137 -9.108 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.398 19.563 -6.417 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -2.488 20.657 -7.565 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -2.917 19.124 -8.361 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -3.412 20.672 -9.087 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.193 21.844 -5.799 1.00 51.78 N ATOM 2740 CA LYS B 87 -5.648 23.217 -5.440 1.00 55.12 C ATOM 2741 C LYS B 87 -4.988 23.645 -4.128 1.00 55.82 C ATOM 2742 O LYS B 87 -4.767 24.833 -3.960 1.00 58.05 O ATOM 2743 CB LYS B 87 -7.169 23.223 -5.271 1.00 52.96 C ATOM 2744 CG LYS B 87 -7.572 22.190 -4.217 1.00 55.49 C ATOM 2745 CD LYS B 87 -7.683 22.871 -2.851 1.00 56.64 C ATOM 2746 CE LYS B 87 -9.033 23.584 -2.743 1.00 58.91 C ATOM 2747 NZ LYS B 87 -9.838 22.963 -1.654 1.00 58.16 N ATOM 2748 OXT LYS B 87 -4.716 22.778 -3.314 1.00 57.66 O ATOM 0 H LYS B 87 -5.032 21.219 -5.009 1.00 51.78 H new ATOM 0 HA LYS B 87 -5.368 23.911 -6.232 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -7.508 24.215 -4.971 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -7.652 22.995 -6.221 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -8.524 21.733 -4.486 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -6.834 21.389 -4.177 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -7.586 22.132 -2.056 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -6.871 23.586 -2.723 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -8.881 24.644 -2.538 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -9.569 23.516 -3.690 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -10.755 23.448 -1.581 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -9.994 21.957 -1.868 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -9.328 23.050 -0.752 1.00 58.16 H new