USER MOD reduce.3.24.130724 H: found=0, std=0, add=1149, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1150 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 83 TYR OH : rot 30:sc= 0.496 USER MOD Set 1.2: B 117 ASN : amide:sc= -0.0245 X(o=1,f=1) USER MOD Set 1.3: B 118 THR OG1 : rot -137:sc= 0.545 USER MOD Set 2.1: B 99 LYS NZ :NH3+ -123:sc= 1.23 (180deg=0) USER MOD Set 2.2: B 100 ASN : amide:sc= 1.06 K(o=2.3,f=-3.7) USER MOD Set 3.1: B 69 SER OG : rot 170:sc= 1.08 USER MOD Set 3.2: B 80 LYS NZ :NH3+ 175:sc= 1.18 (180deg=0) USER MOD Set 4.1: A 49 GLN : amide:sc= -0.895! C(o=-0.9!,f=-3.7!) USER MOD Set 4.2: B 105 MET CE :methyl -172:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.082) USER MOD Single : A 1 MET N :NH3+ -124:sc= 1.22 (180deg=0.73) USER MOD Single : A 2 GLN :FLIP amide:sc=-0.00179 F(o=-0.67,f=-0.0018) USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= 1.29 (180deg=1.01) USER MOD Single : A 7 THR OG1 : rot -83:sc= -1.08 USER MOD Single : A 9 THR OG1 : rot 25:sc= 0.256 USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0416) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0782 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0479 USER MOD Single : A 25 ASN : amide:sc= 0.0281 X(o=0.028,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 1.13 (180deg=1.01) USER MOD Single : A 31 GLN : amide:sc= -0.0118 K(o=-0.012,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= 0.298! (180deg=-0.008!) USER MOD Single : A 40 GLN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.613 K(o=0.61,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0344 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.391 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.164 F(o=-0.96,f=-0.16) USER MOD Single : A 62 GLN : amide:sc= -0.068 X(o=-0.068,f=-0.078) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -112:sc= 1.31 USER MOD Single : A 66 THR OG1 : rot 80:sc= 0.16 USER MOD Single : A 68 HIS : no HD1:sc= -0.422 K(o=-0.42,f=-2.5!) USER MOD Single : B 56 LYS NZ :NH3+ 163:sc= 1.07 (180deg=0.919) USER MOD Single : B 59 TYR OH : rot 180:sc= -0.0011 USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 73 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 78 SER OG : rot -105:sc= 1.31 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc= 0.34 K(o=0.34,f=-2!) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0.048 USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD Single : B 92 THR OG1 : rot -3:sc= 0.923 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 ASN : amide:sc= -0.199 K(o=-0.2,f=-0.79) USER MOD Single : B 98 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : B 103 ASN : amide:sc= 0.453 K(o=0.45,f=-5.2!) USER MOD Single : B 109 GLN : amide:sc= -1.03 K(o=-1,f=-2.1!) USER MOD Single : B 112 LYS NZ :NH3+ -178:sc= 2.28 (180deg=2.2) USER MOD Single : B 119 LYS NZ :NH3+ 168:sc= 1.22 (180deg=0.934) USER MOD Single : B 121 GLN : amide:sc= 0.799 K(o=0.8,f=-0.1) USER MOD Single : B 122 MET CE :methyl -161:sc= -0.0498 (180deg=-0.434) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.877 5.712 -6.252 1.00 1.19 N ATOM 2 CA MET A 1 -18.766 6.256 -7.066 1.00 1.06 C ATOM 3 C MET A 1 -17.711 5.185 -7.298 1.00 1.03 C ATOM 4 O MET A 1 -17.661 4.189 -6.574 1.00 1.13 O ATOM 5 CB MET A 1 -18.127 7.459 -6.364 1.00 1.01 C ATOM 6 CG MET A 1 -17.455 7.105 -5.045 1.00 1.07 C ATOM 7 SD MET A 1 -16.434 8.443 -4.403 1.00 1.25 S ATOM 8 CE MET A 1 -17.681 9.664 -4.001 1.00 1.32 C ATOM 0 H1 MET A 1 -20.775 5.839 -6.761 1.00 1.19 H new ATOM 0 H2 MET A 1 -19.717 4.699 -6.079 1.00 1.19 H new ATOM 0 H3 MET A 1 -19.920 6.216 -5.343 1.00 1.19 H new ATOM 0 HA MET A 1 -19.170 6.577 -8.026 1.00 1.06 H new ATOM 0 HB2 MET A 1 -17.390 7.908 -7.029 1.00 1.01 H new ATOM 0 HB3 MET A 1 -18.893 8.213 -6.182 1.00 1.01 H new ATOM 0 HG2 MET A 1 -18.219 6.851 -4.310 1.00 1.07 H new ATOM 0 HG3 MET A 1 -16.838 6.217 -5.183 1.00 1.07 H new ATOM 0 HE1 MET A 1 -17.219 10.492 -3.463 1.00 1.32 H new ATOM 0 HE2 MET A 1 -18.135 10.036 -4.919 1.00 1.32 H new ATOM 0 HE3 MET A 1 -18.449 9.208 -3.376 1.00 1.32 H new ATOM 20 N GLN A 2 -16.875 5.390 -8.305 1.00 0.93 N ATOM 21 CA GLN A 2 -15.814 4.447 -8.620 1.00 0.89 C ATOM 22 C GLN A 2 -14.494 4.933 -8.027 1.00 0.85 C ATOM 23 O GLN A 2 -14.164 6.116 -8.121 1.00 0.93 O ATOM 24 CB GLN A 2 -15.691 4.280 -10.139 1.00 0.94 C ATOM 25 CG GLN A 2 -14.528 3.403 -10.575 1.00 1.18 C ATOM 26 CD GLN A 2 -14.367 3.363 -12.081 1.00 1.18 C ATOM 27 OE1 GLN A 2 -14.952 2.359 -12.714 1.00 1.35 O flip ATOM 28 NE2 GLN A 2 -13.714 4.226 -12.670 1.00 1.61 N flip ATOM 0 H GLN A 2 -16.912 6.204 -8.919 1.00 0.93 H new ATOM 0 HA GLN A 2 -16.057 3.478 -8.184 1.00 0.89 H new ATOM 0 HB2 GLN A 2 -16.618 3.853 -10.523 1.00 0.94 H new ATOM 0 HB3 GLN A 2 -15.580 5.264 -10.594 1.00 0.94 H new ATOM 0 HG2 GLN A 2 -13.608 3.774 -10.124 1.00 1.18 H new ATOM 0 HG3 GLN A 2 -14.680 2.390 -10.202 1.00 1.18 H new ATOM 0 HE21 GLN A 2 -13.279 4.984 -12.144 1.00 1.61 H new ATOM 0 HE22 GLN A 2 -13.609 4.183 -13.684 1.00 1.61 H new ATOM 37 N ILE A 3 -13.757 4.023 -7.406 1.00 0.76 N ATOM 38 CA ILE A 3 -12.477 4.355 -6.798 1.00 0.72 C ATOM 39 C ILE A 3 -11.373 3.467 -7.362 1.00 0.68 C ATOM 40 O ILE A 3 -11.648 2.462 -8.024 1.00 0.66 O ATOM 41 CB ILE A 3 -12.505 4.223 -5.254 1.00 0.69 C ATOM 42 CG1 ILE A 3 -12.961 2.818 -4.819 1.00 0.60 C ATOM 43 CG2 ILE A 3 -13.389 5.305 -4.640 1.00 0.85 C ATOM 44 CD1 ILE A 3 -14.456 2.674 -4.603 1.00 0.78 C ATOM 0 H ILE A 3 -14.026 3.044 -7.310 1.00 0.76 H new ATOM 0 HA ILE A 3 -12.275 5.398 -7.041 1.00 0.72 H new ATOM 0 HB ILE A 3 -11.489 4.363 -4.885 1.00 0.69 H new ATOM 0 HG12 ILE A 3 -12.646 2.099 -5.575 1.00 0.60 H new ATOM 0 HG13 ILE A 3 -12.447 2.554 -3.895 1.00 0.60 H new ATOM 0 HG21 ILE A 3 -13.397 5.197 -3.555 1.00 0.85 H new ATOM 0 HG22 ILE A 3 -12.998 6.288 -4.904 1.00 0.85 H new ATOM 0 HG23 ILE A 3 -14.405 5.205 -5.022 1.00 0.85 H new ATOM 0 HD11 ILE A 3 -14.683 1.652 -4.299 1.00 0.78 H new ATOM 0 HD12 ILE A 3 -14.779 3.365 -3.824 1.00 0.78 H new ATOM 0 HD13 ILE A 3 -14.981 2.902 -5.531 1.00 0.78 H new ATOM 56 N PHE A 4 -10.129 3.844 -7.106 1.00 0.68 N ATOM 57 CA PHE A 4 -8.983 3.092 -7.593 1.00 0.66 C ATOM 58 C PHE A 4 -8.209 2.490 -6.432 1.00 0.61 C ATOM 59 O PHE A 4 -7.617 3.208 -5.629 1.00 0.70 O ATOM 60 CB PHE A 4 -8.066 4.003 -8.415 1.00 0.73 C ATOM 61 CG PHE A 4 -8.706 4.527 -9.667 1.00 0.82 C ATOM 62 CD1 PHE A 4 -9.451 5.695 -9.647 1.00 0.88 C ATOM 63 CD2 PHE A 4 -8.560 3.851 -10.865 1.00 1.03 C ATOM 64 CE1 PHE A 4 -10.044 6.173 -10.797 1.00 0.96 C ATOM 65 CE2 PHE A 4 -9.149 4.325 -12.018 1.00 1.12 C ATOM 66 CZ PHE A 4 -9.891 5.489 -11.985 1.00 1.00 C ATOM 0 H PHE A 4 -9.887 4.671 -6.560 1.00 0.68 H new ATOM 0 HA PHE A 4 -9.345 2.283 -8.228 1.00 0.66 H new ATOM 0 HB2 PHE A 4 -7.755 4.845 -7.796 1.00 0.73 H new ATOM 0 HB3 PHE A 4 -7.164 3.452 -8.681 1.00 0.73 H new ATOM 0 HD1 PHE A 4 -9.569 6.237 -8.720 1.00 0.88 H new ATOM 0 HD2 PHE A 4 -7.978 2.942 -10.898 1.00 1.03 H new ATOM 0 HE1 PHE A 4 -10.627 7.081 -10.767 1.00 0.96 H new ATOM 0 HE2 PHE A 4 -9.030 3.786 -12.946 1.00 1.12 H new ATOM 0 HZ PHE A 4 -10.351 5.863 -12.888 1.00 1.00 H new ATOM 76 N VAL A 5 -8.217 1.171 -6.342 1.00 0.53 N ATOM 77 CA VAL A 5 -7.513 0.486 -5.272 1.00 0.51 C ATOM 78 C VAL A 5 -6.238 -0.167 -5.798 1.00 0.51 C ATOM 79 O VAL A 5 -6.254 -0.879 -6.803 1.00 0.53 O ATOM 80 CB VAL A 5 -8.408 -0.576 -4.584 1.00 0.51 C ATOM 81 CG1 VAL A 5 -8.937 -1.591 -5.585 1.00 0.56 C ATOM 82 CG2 VAL A 5 -7.649 -1.271 -3.463 1.00 0.54 C ATOM 0 H VAL A 5 -8.702 0.555 -6.995 1.00 0.53 H new ATOM 0 HA VAL A 5 -7.248 1.236 -4.527 1.00 0.51 H new ATOM 0 HB VAL A 5 -9.266 -0.059 -4.154 1.00 0.51 H new ATOM 0 HG11 VAL A 5 -9.561 -2.321 -5.068 1.00 0.56 H new ATOM 0 HG12 VAL A 5 -9.530 -1.079 -6.343 1.00 0.56 H new ATOM 0 HG13 VAL A 5 -8.100 -2.102 -6.062 1.00 0.56 H new ATOM 0 HG21 VAL A 5 -8.294 -2.013 -2.992 1.00 0.54 H new ATOM 0 HG22 VAL A 5 -6.767 -1.764 -3.872 1.00 0.54 H new ATOM 0 HG23 VAL A 5 -7.341 -0.534 -2.721 1.00 0.54 H new ATOM 92 N LYS A 6 -5.127 0.112 -5.138 1.00 0.54 N ATOM 93 CA LYS A 6 -3.847 -0.452 -5.525 1.00 0.58 C ATOM 94 C LYS A 6 -3.468 -1.570 -4.561 1.00 0.56 C ATOM 95 O LYS A 6 -3.452 -1.372 -3.344 1.00 0.51 O ATOM 96 CB LYS A 6 -2.774 0.639 -5.542 1.00 0.63 C ATOM 97 CG LYS A 6 -1.598 0.337 -6.463 1.00 1.21 C ATOM 98 CD LYS A 6 -0.804 1.594 -6.802 1.00 1.17 C ATOM 99 CE LYS A 6 -1.632 2.577 -7.623 1.00 1.38 C ATOM 100 NZ LYS A 6 -0.792 3.633 -8.251 1.00 1.38 N ATOM 0 H LYS A 6 -5.087 0.729 -4.327 1.00 0.54 H new ATOM 0 HA LYS A 6 -3.924 -0.868 -6.529 1.00 0.58 H new ATOM 0 HB2 LYS A 6 -3.231 1.579 -5.850 1.00 0.63 H new ATOM 0 HB3 LYS A 6 -2.401 0.783 -4.528 1.00 0.63 H new ATOM 0 HG2 LYS A 6 -0.941 -0.390 -5.986 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -1.965 -0.120 -7.382 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -0.474 2.076 -5.882 1.00 1.17 H new ATOM 0 HD3 LYS A 6 0.093 1.320 -7.358 1.00 1.17 H new ATOM 0 HE2 LYS A 6 -2.172 2.035 -8.400 1.00 1.38 H new ATOM 0 HE3 LYS A 6 -2.380 3.044 -6.982 1.00 1.38 H new ATOM 0 HZ1 LYS A 6 -1.302 4.049 -9.056 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 -0.586 4.374 -7.551 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 0.100 3.214 -8.585 1.00 1.38 H new ATOM 114 N THR A 7 -3.180 -2.741 -5.106 1.00 0.61 N ATOM 115 CA THR A 7 -2.818 -3.902 -4.303 1.00 0.62 C ATOM 116 C THR A 7 -1.422 -3.768 -3.692 1.00 0.63 C ATOM 117 O THR A 7 -0.749 -2.745 -3.855 1.00 0.74 O ATOM 118 CB THR A 7 -2.872 -5.179 -5.153 1.00 0.69 C ATOM 119 OG1 THR A 7 -2.515 -4.867 -6.505 1.00 1.05 O ATOM 120 CG2 THR A 7 -4.258 -5.808 -5.110 1.00 0.90 C ATOM 0 H THR A 7 -3.190 -2.915 -6.111 1.00 0.61 H new ATOM 0 HA THR A 7 -3.542 -3.962 -3.491 1.00 0.62 H new ATOM 0 HB THR A 7 -2.164 -5.899 -4.744 1.00 0.69 H new ATOM 0 HG1 THR A 7 -3.300 -4.523 -6.980 1.00 1.05 H new ATOM 0 HG21 THR A 7 -4.267 -6.711 -5.721 1.00 0.90 H new ATOM 0 HG22 THR A 7 -4.510 -6.064 -4.081 1.00 0.90 H new ATOM 0 HG23 THR A 7 -4.991 -5.100 -5.498 1.00 0.90 H new ATOM 128 N LEU A 8 -0.983 -4.816 -3.004 1.00 0.62 N ATOM 129 CA LEU A 8 0.325 -4.825 -2.367 1.00 0.65 C ATOM 130 C LEU A 8 1.433 -4.977 -3.406 1.00 0.67 C ATOM 131 O LEU A 8 2.540 -4.487 -3.216 1.00 0.73 O ATOM 132 CB LEU A 8 0.402 -5.956 -1.341 1.00 0.72 C ATOM 133 CG LEU A 8 1.548 -5.848 -0.333 1.00 0.84 C ATOM 134 CD1 LEU A 8 1.438 -4.559 0.467 1.00 1.54 C ATOM 135 CD2 LEU A 8 1.553 -7.056 0.594 1.00 0.94 C ATOM 0 H LEU A 8 -1.519 -5.674 -2.874 1.00 0.62 H new ATOM 0 HA LEU A 8 0.465 -3.873 -1.856 1.00 0.65 H new ATOM 0 HB2 LEU A 8 -0.540 -5.992 -0.793 1.00 0.72 H new ATOM 0 HB3 LEU A 8 0.497 -6.902 -1.874 1.00 0.72 H new ATOM 0 HG LEU A 8 2.490 -5.829 -0.881 1.00 0.84 H new ATOM 0 HD11 LEU A 8 2.262 -4.501 1.178 1.00 1.54 H new ATOM 0 HD12 LEU A 8 1.482 -3.706 -0.210 1.00 1.54 H new ATOM 0 HD13 LEU A 8 0.491 -4.545 1.007 1.00 1.54 H new ATOM 0 HD21 LEU A 8 2.374 -6.965 1.306 1.00 0.94 H new ATOM 0 HD22 LEU A 8 0.608 -7.104 1.135 1.00 0.94 H new ATOM 0 HD23 LEU A 8 1.681 -7.965 0.006 1.00 0.94 H new ATOM 147 N THR A 9 1.120 -5.646 -4.509 1.00 0.67 N ATOM 148 CA THR A 9 2.090 -5.849 -5.575 1.00 0.74 C ATOM 149 C THR A 9 2.220 -4.591 -6.441 1.00 0.75 C ATOM 150 O THR A 9 3.175 -4.444 -7.202 1.00 0.90 O ATOM 151 CB THR A 9 1.709 -7.064 -6.457 1.00 0.80 C ATOM 152 OG1 THR A 9 2.784 -7.404 -7.344 1.00 1.26 O ATOM 153 CG2 THR A 9 0.449 -6.786 -7.267 1.00 0.91 C ATOM 0 H THR A 9 0.203 -6.056 -4.687 1.00 0.67 H new ATOM 0 HA THR A 9 3.053 -6.054 -5.107 1.00 0.74 H new ATOM 0 HB THR A 9 1.515 -7.903 -5.789 1.00 0.80 H new ATOM 0 HG1 THR A 9 3.632 -7.089 -6.966 1.00 1.26 H new ATOM 0 HG21 THR A 9 0.208 -7.658 -7.876 1.00 0.91 H new ATOM 0 HG22 THR A 9 -0.379 -6.575 -6.591 1.00 0.91 H new ATOM 0 HG23 THR A 9 0.616 -5.926 -7.915 1.00 0.91 H new ATOM 161 N GLY A 10 1.255 -3.686 -6.313 1.00 0.71 N ATOM 162 CA GLY A 10 1.290 -2.458 -7.081 1.00 0.75 C ATOM 163 C GLY A 10 0.420 -2.505 -8.325 1.00 0.76 C ATOM 164 O GLY A 10 0.844 -2.076 -9.397 1.00 0.89 O ATOM 0 H GLY A 10 0.451 -3.782 -5.692 1.00 0.71 H new ATOM 0 HA2 GLY A 10 0.964 -1.632 -6.449 1.00 0.75 H new ATOM 0 HA3 GLY A 10 2.319 -2.249 -7.373 1.00 0.75 H new ATOM 168 N LYS A 11 -0.791 -3.034 -8.189 1.00 0.82 N ATOM 169 CA LYS A 11 -1.725 -3.116 -9.307 1.00 0.85 C ATOM 170 C LYS A 11 -2.989 -2.323 -8.988 1.00 0.77 C ATOM 171 O LYS A 11 -3.646 -2.575 -7.977 1.00 0.78 O ATOM 172 CB LYS A 11 -2.082 -4.577 -9.605 1.00 0.90 C ATOM 173 CG LYS A 11 -3.146 -4.744 -10.680 1.00 0.96 C ATOM 174 CD LYS A 11 -3.773 -6.130 -10.634 1.00 1.09 C ATOM 175 CE LYS A 11 -4.841 -6.304 -11.704 1.00 1.43 C ATOM 176 NZ LYS A 11 -4.267 -6.312 -13.074 1.00 1.63 N ATOM 0 H LYS A 11 -1.150 -3.414 -7.313 1.00 0.82 H new ATOM 0 HA LYS A 11 -1.249 -2.690 -10.190 1.00 0.85 H new ATOM 0 HB2 LYS A 11 -1.180 -5.105 -9.915 1.00 0.90 H new ATOM 0 HB3 LYS A 11 -2.429 -5.051 -8.687 1.00 0.90 H new ATOM 0 HG2 LYS A 11 -3.921 -3.989 -10.547 1.00 0.96 H new ATOM 0 HG3 LYS A 11 -2.702 -4.577 -11.661 1.00 0.96 H new ATOM 0 HD2 LYS A 11 -2.998 -6.884 -10.769 1.00 1.09 H new ATOM 0 HD3 LYS A 11 -4.213 -6.297 -9.651 1.00 1.09 H new ATOM 0 HE2 LYS A 11 -5.377 -7.237 -11.531 1.00 1.43 H new ATOM 0 HE3 LYS A 11 -5.570 -5.498 -11.622 1.00 1.43 H new ATOM 0 HZ1 LYS A 11 -5.011 -6.550 -13.761 1.00 1.63 H new ATOM 0 HZ2 LYS A 11 -3.881 -5.372 -13.294 1.00 1.63 H new ATOM 0 HZ3 LYS A 11 -3.507 -7.019 -13.128 1.00 1.63 H new ATOM 190 N THR A 12 -3.308 -1.355 -9.837 1.00 0.85 N ATOM 191 CA THR A 12 -4.492 -0.525 -9.652 1.00 0.80 C ATOM 192 C THR A 12 -5.732 -1.204 -10.230 1.00 0.81 C ATOM 193 O THR A 12 -5.785 -1.504 -11.426 1.00 0.91 O ATOM 194 CB THR A 12 -4.310 0.845 -10.328 1.00 0.85 C ATOM 195 OG1 THR A 12 -2.928 1.222 -10.295 1.00 0.90 O ATOM 196 CG2 THR A 12 -5.148 1.910 -9.638 1.00 0.84 C ATOM 0 H THR A 12 -2.760 -1.124 -10.666 1.00 0.85 H new ATOM 0 HA THR A 12 -4.627 -0.385 -8.579 1.00 0.80 H new ATOM 0 HB THR A 12 -4.643 0.763 -11.363 1.00 0.85 H new ATOM 0 HG1 THR A 12 -2.816 2.094 -10.728 1.00 0.90 H new ATOM 0 HG21 THR A 12 -5.000 2.868 -10.136 1.00 0.84 H new ATOM 0 HG22 THR A 12 -6.201 1.633 -9.688 1.00 0.84 H new ATOM 0 HG23 THR A 12 -4.844 1.993 -8.595 1.00 0.84 H new ATOM 204 N ILE A 13 -6.714 -1.459 -9.378 1.00 0.72 N ATOM 205 CA ILE A 13 -7.953 -2.101 -9.802 1.00 0.74 C ATOM 206 C ILE A 13 -9.126 -1.127 -9.707 1.00 0.71 C ATOM 207 O ILE A 13 -9.243 -0.372 -8.738 1.00 0.64 O ATOM 208 CB ILE A 13 -8.260 -3.359 -8.956 1.00 0.72 C ATOM 209 CG1 ILE A 13 -6.997 -4.209 -8.784 1.00 0.74 C ATOM 210 CG2 ILE A 13 -9.368 -4.179 -9.606 1.00 0.80 C ATOM 211 CD1 ILE A 13 -7.117 -5.266 -7.708 1.00 0.85 C ATOM 0 H ILE A 13 -6.678 -1.231 -8.385 1.00 0.72 H new ATOM 0 HA ILE A 13 -7.818 -2.406 -10.840 1.00 0.74 H new ATOM 0 HB ILE A 13 -8.599 -3.039 -7.971 1.00 0.72 H new ATOM 0 HG12 ILE A 13 -6.764 -4.693 -9.732 1.00 0.74 H new ATOM 0 HG13 ILE A 13 -6.159 -3.554 -8.546 1.00 0.74 H new ATOM 0 HG21 ILE A 13 -9.572 -5.061 -8.999 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -10.271 -3.574 -9.683 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -9.054 -4.490 -10.602 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -6.185 -5.828 -7.644 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -7.319 -4.788 -6.749 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -7.933 -5.945 -7.954 1.00 0.85 H new ATOM 223 N THR A 14 -9.979 -1.143 -10.722 1.00 0.80 N ATOM 224 CA THR A 14 -11.143 -0.272 -10.773 1.00 0.81 C ATOM 225 C THR A 14 -12.316 -0.869 -10.000 1.00 0.78 C ATOM 226 O THR A 14 -12.827 -1.939 -10.348 1.00 0.83 O ATOM 227 CB THR A 14 -11.565 -0.029 -12.233 1.00 0.94 C ATOM 228 OG1 THR A 14 -10.875 -0.948 -13.099 1.00 1.01 O ATOM 229 CG2 THR A 14 -11.260 1.398 -12.657 1.00 1.07 C ATOM 0 H THR A 14 -9.883 -1.758 -11.530 1.00 0.80 H new ATOM 0 HA THR A 14 -10.867 0.675 -10.310 1.00 0.81 H new ATOM 0 HB THR A 14 -12.640 -0.190 -12.309 1.00 0.94 H new ATOM 0 HG1 THR A 14 -11.148 -0.791 -14.027 1.00 1.01 H new ATOM 0 HG21 THR A 14 -11.568 1.544 -13.692 1.00 1.07 H new ATOM 0 HG22 THR A 14 -11.803 2.092 -12.016 1.00 1.07 H new ATOM 0 HG23 THR A 14 -10.190 1.583 -12.567 1.00 1.07 H new ATOM 237 N LEU A 15 -12.737 -0.181 -8.946 1.00 0.74 N ATOM 238 CA LEU A 15 -13.851 -0.639 -8.131 1.00 0.75 C ATOM 239 C LEU A 15 -14.998 0.362 -8.196 1.00 0.79 C ATOM 240 O LEU A 15 -14.886 1.487 -7.705 1.00 0.81 O ATOM 241 CB LEU A 15 -13.406 -0.852 -6.680 1.00 0.74 C ATOM 242 CG LEU A 15 -13.487 -2.298 -6.174 1.00 0.74 C ATOM 243 CD1 LEU A 15 -14.915 -2.818 -6.238 1.00 0.97 C ATOM 244 CD2 LEU A 15 -12.559 -3.204 -6.968 1.00 0.93 C ATOM 0 H LEU A 15 -12.322 0.698 -8.637 1.00 0.74 H new ATOM 0 HA LEU A 15 -14.199 -1.594 -8.525 1.00 0.75 H new ATOM 0 HB2 LEU A 15 -12.377 -0.506 -6.579 1.00 0.74 H new ATOM 0 HB3 LEU A 15 -14.019 -0.224 -6.034 1.00 0.74 H new ATOM 0 HG LEU A 15 -13.166 -2.304 -5.132 1.00 0.74 H new ATOM 0 HD11 LEU A 15 -14.945 -3.845 -5.874 1.00 0.97 H new ATOM 0 HD12 LEU A 15 -15.558 -2.194 -5.617 1.00 0.97 H new ATOM 0 HD13 LEU A 15 -15.267 -2.788 -7.269 1.00 0.97 H new ATOM 0 HD21 LEU A 15 -12.635 -4.224 -6.590 1.00 0.93 H new ATOM 0 HD22 LEU A 15 -12.844 -3.185 -8.020 1.00 0.93 H new ATOM 0 HD23 LEU A 15 -11.532 -2.854 -6.864 1.00 0.93 H new ATOM 256 N GLU A 16 -16.095 -0.044 -8.818 1.00 0.84 N ATOM 257 CA GLU A 16 -17.258 0.815 -8.960 1.00 0.90 C ATOM 258 C GLU A 16 -18.391 0.340 -8.052 1.00 0.83 C ATOM 259 O GLU A 16 -18.966 -0.729 -8.250 1.00 0.87 O ATOM 260 CB GLU A 16 -17.710 0.889 -10.432 1.00 1.04 C ATOM 261 CG GLU A 16 -18.099 -0.444 -11.066 1.00 1.10 C ATOM 262 CD GLU A 16 -16.936 -1.405 -11.208 1.00 1.18 C ATOM 263 OE1 GLU A 16 -16.231 -1.356 -12.234 1.00 1.26 O ATOM 264 OE2 GLU A 16 -16.716 -2.218 -10.288 1.00 1.26 O ATOM 0 H GLU A 16 -16.203 -0.969 -9.234 1.00 0.84 H new ATOM 0 HA GLU A 16 -16.982 1.823 -8.650 1.00 0.90 H new ATOM 0 HB2 GLU A 16 -18.562 1.566 -10.499 1.00 1.04 H new ATOM 0 HB3 GLU A 16 -16.905 1.330 -11.020 1.00 1.04 H new ATOM 0 HG2 GLU A 16 -18.876 -0.912 -10.462 1.00 1.10 H new ATOM 0 HG3 GLU A 16 -18.529 -0.258 -12.050 1.00 1.10 H new ATOM 271 N VAL A 17 -18.689 1.134 -7.036 1.00 0.79 N ATOM 272 CA VAL A 17 -19.743 0.801 -6.086 1.00 0.77 C ATOM 273 C VAL A 17 -20.632 2.007 -5.829 1.00 0.78 C ATOM 274 O VAL A 17 -20.386 3.090 -6.360 1.00 0.77 O ATOM 275 CB VAL A 17 -19.170 0.292 -4.746 1.00 0.73 C ATOM 276 CG1 VAL A 17 -18.737 -1.162 -4.867 1.00 0.76 C ATOM 277 CG2 VAL A 17 -18.006 1.161 -4.295 1.00 0.71 C ATOM 0 H VAL A 17 -18.215 2.017 -6.846 1.00 0.79 H new ATOM 0 HA VAL A 17 -20.333 0.000 -6.532 1.00 0.77 H new ATOM 0 HB VAL A 17 -19.955 0.355 -3.993 1.00 0.73 H new ATOM 0 HG11 VAL A 17 -18.336 -1.503 -3.913 1.00 0.76 H new ATOM 0 HG12 VAL A 17 -19.595 -1.776 -5.140 1.00 0.76 H new ATOM 0 HG13 VAL A 17 -17.969 -1.250 -5.636 1.00 0.76 H new ATOM 0 HG21 VAL A 17 -17.617 0.785 -3.349 1.00 0.71 H new ATOM 0 HG22 VAL A 17 -17.218 1.134 -5.048 1.00 0.71 H new ATOM 0 HG23 VAL A 17 -18.348 2.188 -4.165 1.00 0.71 H new ATOM 287 N GLU A 18 -21.658 1.819 -5.018 1.00 0.86 N ATOM 288 CA GLU A 18 -22.589 2.891 -4.700 1.00 0.91 C ATOM 289 C GLU A 18 -22.049 3.755 -3.561 1.00 0.89 C ATOM 290 O GLU A 18 -21.282 3.280 -2.730 1.00 0.85 O ATOM 291 CB GLU A 18 -23.955 2.306 -4.327 1.00 1.00 C ATOM 292 CG GLU A 18 -24.568 1.454 -5.425 1.00 1.11 C ATOM 293 CD GLU A 18 -24.680 2.201 -6.737 1.00 1.10 C ATOM 294 OE1 GLU A 18 -25.348 3.253 -6.765 1.00 1.29 O ATOM 295 OE2 GLU A 18 -24.104 1.741 -7.746 1.00 1.46 O ATOM 0 H GLU A 18 -21.869 0.930 -4.565 1.00 0.86 H new ATOM 0 HA GLU A 18 -22.705 3.523 -5.580 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -23.849 1.702 -3.426 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -24.637 3.121 -4.087 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -23.962 0.560 -5.569 1.00 1.11 H new ATOM 0 HG3 GLU A 18 -25.558 1.121 -5.113 1.00 1.11 H new ATOM 302 N PRO A 19 -22.435 5.040 -3.510 1.00 0.95 N ATOM 303 CA PRO A 19 -21.978 5.954 -2.456 1.00 0.99 C ATOM 304 C PRO A 19 -22.465 5.523 -1.074 1.00 1.05 C ATOM 305 O PRO A 19 -21.720 5.563 -0.093 1.00 1.09 O ATOM 306 CB PRO A 19 -22.595 7.300 -2.849 1.00 1.08 C ATOM 307 CG PRO A 19 -23.738 6.958 -3.743 1.00 1.07 C ATOM 308 CD PRO A 19 -23.338 5.705 -4.468 1.00 1.04 C ATOM 0 HA PRO A 19 -20.891 5.982 -2.383 1.00 0.99 H new ATOM 0 HB2 PRO A 19 -22.933 7.850 -1.971 1.00 1.08 H new ATOM 0 HB3 PRO A 19 -21.869 7.932 -3.361 1.00 1.08 H new ATOM 0 HG2 PRO A 19 -24.650 6.801 -3.167 1.00 1.07 H new ATOM 0 HG3 PRO A 19 -23.940 7.767 -4.445 1.00 1.07 H new ATOM 0 HD2 PRO A 19 -24.201 5.084 -4.706 1.00 1.04 H new ATOM 0 HD3 PRO A 19 -22.835 5.927 -5.409 1.00 1.04 H new ATOM 316 N SER A 20 -23.716 5.084 -1.016 1.00 1.11 N ATOM 317 CA SER A 20 -24.323 4.641 0.227 1.00 1.22 C ATOM 318 C SER A 20 -24.137 3.137 0.420 1.00 1.11 C ATOM 319 O SER A 20 -24.904 2.492 1.138 1.00 1.16 O ATOM 320 CB SER A 20 -25.810 4.997 0.216 1.00 1.42 C ATOM 321 OG SER A 20 -26.330 4.937 -1.106 1.00 1.61 O ATOM 0 H SER A 20 -24.333 5.026 -1.826 1.00 1.11 H new ATOM 0 HA SER A 20 -23.834 5.146 1.060 1.00 1.22 H new ATOM 0 HB2 SER A 20 -26.359 4.309 0.860 1.00 1.42 H new ATOM 0 HB3 SER A 20 -25.953 5.998 0.623 1.00 1.42 H new ATOM 0 HG SER A 20 -27.283 5.166 -1.093 1.00 1.61 H new ATOM 327 N ASP A 21 -23.119 2.580 -0.222 1.00 0.99 N ATOM 328 CA ASP A 21 -22.850 1.157 -0.109 1.00 0.91 C ATOM 329 C ASP A 21 -21.961 0.886 1.089 1.00 0.86 C ATOM 330 O ASP A 21 -21.067 1.677 1.404 1.00 0.89 O ATOM 331 CB ASP A 21 -22.183 0.626 -1.372 1.00 0.87 C ATOM 332 CG ASP A 21 -22.711 -0.735 -1.767 1.00 0.92 C ATOM 333 OD1 ASP A 21 -23.278 -1.433 -0.899 1.00 1.09 O ATOM 334 OD2 ASP A 21 -22.574 -1.111 -2.954 1.00 1.32 O ATOM 0 H ASP A 21 -22.471 3.090 -0.822 1.00 0.99 H new ATOM 0 HA ASP A 21 -23.802 0.643 0.023 1.00 0.91 H new ATOM 0 HB2 ASP A 21 -22.346 1.328 -2.190 1.00 0.87 H new ATOM 0 HB3 ASP A 21 -21.106 0.564 -1.214 1.00 0.87 H new ATOM 339 N THR A 22 -22.214 -0.225 1.756 1.00 0.83 N ATOM 340 CA THR A 22 -21.440 -0.613 2.919 1.00 0.82 C ATOM 341 C THR A 22 -20.079 -1.148 2.489 1.00 0.76 C ATOM 342 O THR A 22 -19.964 -1.799 1.448 1.00 0.75 O ATOM 343 CB THR A 22 -22.187 -1.686 3.728 1.00 0.88 C ATOM 344 OG1 THR A 22 -23.572 -1.684 3.359 1.00 1.00 O ATOM 345 CG2 THR A 22 -22.061 -1.435 5.220 1.00 1.13 C ATOM 0 H THR A 22 -22.956 -0.879 1.509 1.00 0.83 H new ATOM 0 HA THR A 22 -21.297 0.266 3.547 1.00 0.82 H new ATOM 0 HB THR A 22 -21.741 -2.655 3.505 1.00 0.88 H new ATOM 0 HG1 THR A 22 -24.048 -2.369 3.873 1.00 1.00 H new ATOM 0 HG21 THR A 22 -22.599 -2.210 5.766 1.00 1.13 H new ATOM 0 HG22 THR A 22 -21.009 -1.455 5.505 1.00 1.13 H new ATOM 0 HG23 THR A 22 -22.484 -0.460 5.462 1.00 1.13 H new ATOM 353 N ILE A 23 -19.052 -0.871 3.285 1.00 0.74 N ATOM 354 CA ILE A 23 -17.695 -1.315 2.973 1.00 0.69 C ATOM 355 C ILE A 23 -17.627 -2.832 2.787 1.00 0.67 C ATOM 356 O ILE A 23 -16.892 -3.324 1.929 1.00 0.63 O ATOM 357 CB ILE A 23 -16.693 -0.878 4.065 1.00 0.68 C ATOM 358 CG1 ILE A 23 -16.708 0.647 4.221 1.00 0.71 C ATOM 359 CG2 ILE A 23 -15.287 -1.364 3.738 1.00 0.63 C ATOM 360 CD1 ILE A 23 -16.311 1.402 2.969 1.00 0.69 C ATOM 0 H ILE A 23 -19.132 -0.341 4.153 1.00 0.74 H new ATOM 0 HA ILE A 23 -17.418 -0.838 2.033 1.00 0.69 H new ATOM 0 HB ILE A 23 -16.998 -1.330 5.009 1.00 0.68 H new ATOM 0 HG12 ILE A 23 -17.708 0.961 4.520 1.00 0.71 H new ATOM 0 HG13 ILE A 23 -16.032 0.925 5.030 1.00 0.71 H new ATOM 0 HG21 ILE A 23 -14.600 -1.044 4.521 1.00 0.63 H new ATOM 0 HG22 ILE A 23 -15.284 -2.452 3.675 1.00 0.63 H new ATOM 0 HG23 ILE A 23 -14.970 -0.944 2.783 1.00 0.63 H new ATOM 0 HD11 ILE A 23 -16.347 2.474 3.164 1.00 0.69 H new ATOM 0 HD12 ILE A 23 -15.299 1.120 2.680 1.00 0.69 H new ATOM 0 HD13 ILE A 23 -17.001 1.156 2.162 1.00 0.69 H new ATOM 372 N GLU A 24 -18.411 -3.568 3.571 1.00 0.71 N ATOM 373 CA GLU A 24 -18.426 -5.023 3.467 1.00 0.72 C ATOM 374 C GLU A 24 -18.933 -5.467 2.093 1.00 0.71 C ATOM 375 O GLU A 24 -18.460 -6.460 1.543 1.00 0.71 O ATOM 376 CB GLU A 24 -19.260 -5.649 4.594 1.00 0.80 C ATOM 377 CG GLU A 24 -20.659 -5.067 4.748 1.00 0.95 C ATOM 378 CD GLU A 24 -21.720 -5.871 4.018 1.00 0.97 C ATOM 379 OE1 GLU A 24 -21.905 -7.063 4.344 1.00 1.64 O ATOM 380 OE2 GLU A 24 -22.380 -5.313 3.119 1.00 1.14 O ATOM 0 H GLU A 24 -19.038 -3.185 4.278 1.00 0.71 H new ATOM 0 HA GLU A 24 -17.401 -5.378 3.577 1.00 0.72 H new ATOM 0 HB2 GLU A 24 -19.345 -6.720 4.413 1.00 0.80 H new ATOM 0 HB3 GLU A 24 -18.724 -5.526 5.535 1.00 0.80 H new ATOM 0 HG2 GLU A 24 -20.912 -5.019 5.807 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -20.664 -4.044 4.373 1.00 0.95 H new ATOM 387 N ASN A 25 -19.869 -4.709 1.523 1.00 0.72 N ATOM 388 CA ASN A 25 -20.404 -5.035 0.205 1.00 0.73 C ATOM 389 C ASN A 25 -19.353 -4.740 -0.851 1.00 0.69 C ATOM 390 O ASN A 25 -19.228 -5.460 -1.842 1.00 0.70 O ATOM 391 CB ASN A 25 -21.690 -4.255 -0.091 1.00 0.79 C ATOM 392 CG ASN A 25 -22.403 -4.766 -1.338 1.00 0.86 C ATOM 393 OD1 ASN A 25 -23.076 -5.799 -1.301 1.00 0.96 O ATOM 394 ND2 ASN A 25 -22.284 -4.040 -2.442 1.00 0.97 N ATOM 0 H ASN A 25 -20.268 -3.873 1.950 1.00 0.72 H new ATOM 0 HA ASN A 25 -20.655 -6.095 0.188 1.00 0.73 H new ATOM 0 HB2 ASN A 25 -22.362 -4.328 0.764 1.00 0.79 H new ATOM 0 HB3 ASN A 25 -21.451 -3.199 -0.219 1.00 0.79 H new ATOM 0 HD21 ASN A 25 -22.758 -4.331 -3.297 1.00 0.97 H new ATOM 0 HD22 ASN A 25 -21.719 -3.191 -2.436 1.00 0.97 H new ATOM 401 N VAL A 26 -18.585 -3.680 -0.621 1.00 0.65 N ATOM 402 CA VAL A 26 -17.514 -3.302 -1.529 1.00 0.62 C ATOM 403 C VAL A 26 -16.469 -4.412 -1.548 1.00 0.58 C ATOM 404 O VAL A 26 -15.958 -4.790 -2.602 1.00 0.57 O ATOM 405 CB VAL A 26 -16.845 -1.973 -1.108 1.00 0.60 C ATOM 406 CG1 VAL A 26 -15.773 -1.562 -2.107 1.00 0.59 C ATOM 407 CG2 VAL A 26 -17.882 -0.869 -0.949 1.00 0.63 C ATOM 0 H VAL A 26 -18.687 -3.068 0.189 1.00 0.65 H new ATOM 0 HA VAL A 26 -17.942 -3.158 -2.521 1.00 0.62 H new ATOM 0 HB VAL A 26 -16.366 -2.132 -0.142 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -15.318 -0.624 -1.788 1.00 0.59 H new ATOM 0 HG12 VAL A 26 -15.008 -2.337 -2.159 1.00 0.59 H new ATOM 0 HG13 VAL A 26 -16.224 -1.430 -3.091 1.00 0.59 H new ATOM 0 HG21 VAL A 26 -17.387 0.056 -0.653 1.00 0.63 H new ATOM 0 HG22 VAL A 26 -18.399 -0.716 -1.896 1.00 0.63 H new ATOM 0 HG23 VAL A 26 -18.604 -1.155 -0.184 1.00 0.63 H new ATOM 417 N LYS A 27 -16.181 -4.948 -0.364 1.00 0.57 N ATOM 418 CA LYS A 27 -15.221 -6.035 -0.219 1.00 0.54 C ATOM 419 C LYS A 27 -15.726 -7.291 -0.924 1.00 0.55 C ATOM 420 O LYS A 27 -14.939 -8.065 -1.468 1.00 0.52 O ATOM 421 CB LYS A 27 -14.977 -6.333 1.261 1.00 0.59 C ATOM 422 CG LYS A 27 -14.193 -5.249 1.986 1.00 0.67 C ATOM 423 CD LYS A 27 -14.080 -5.544 3.472 1.00 0.82 C ATOM 424 CE LYS A 27 -13.261 -4.488 4.199 1.00 1.03 C ATOM 425 NZ LYS A 27 -13.405 -4.603 5.672 1.00 1.08 N ATOM 0 H LYS A 27 -16.603 -4.643 0.513 1.00 0.57 H new ATOM 0 HA LYS A 27 -14.282 -5.727 -0.679 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -15.938 -6.467 1.758 1.00 0.59 H new ATOM 0 HB3 LYS A 27 -14.439 -7.277 1.348 1.00 0.59 H new ATOM 0 HG2 LYS A 27 -13.196 -5.168 1.553 1.00 0.67 H new ATOM 0 HG3 LYS A 27 -14.682 -4.286 1.841 1.00 0.67 H new ATOM 0 HD2 LYS A 27 -15.077 -5.594 3.909 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -13.620 -6.522 3.614 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -12.211 -4.590 3.926 1.00 1.03 H new ATOM 0 HE3 LYS A 27 -13.579 -3.496 3.878 1.00 1.03 H new ATOM 0 HZ1 LYS A 27 -12.833 -3.868 6.135 1.00 1.08 H new ATOM 0 HZ2 LYS A 27 -14.404 -4.481 5.934 1.00 1.08 H new ATOM 0 HZ3 LYS A 27 -13.079 -5.541 5.981 1.00 1.08 H new ATOM 439 N ALA A 28 -17.041 -7.485 -0.906 1.00 0.63 N ATOM 440 CA ALA A 28 -17.656 -8.634 -1.556 1.00 0.68 C ATOM 441 C ALA A 28 -17.489 -8.530 -3.066 1.00 0.68 C ATOM 442 O ALA A 28 -17.225 -9.524 -3.743 1.00 0.75 O ATOM 443 CB ALA A 28 -19.128 -8.737 -1.187 1.00 0.75 C ATOM 0 H ALA A 28 -17.702 -6.858 -0.446 1.00 0.63 H new ATOM 0 HA ALA A 28 -17.157 -9.539 -1.209 1.00 0.68 H new ATOM 0 HB1 ALA A 28 -19.568 -9.602 -1.683 1.00 0.75 H new ATOM 0 HB2 ALA A 28 -19.225 -8.850 -0.107 1.00 0.75 H new ATOM 0 HB3 ALA A 28 -19.647 -7.833 -1.506 1.00 0.75 H new ATOM 449 N LYS A 29 -17.627 -7.313 -3.588 1.00 0.65 N ATOM 450 CA LYS A 29 -17.469 -7.076 -5.016 1.00 0.70 C ATOM 451 C LYS A 29 -16.034 -7.375 -5.429 1.00 0.67 C ATOM 452 O LYS A 29 -15.779 -7.874 -6.527 1.00 0.76 O ATOM 453 CB LYS A 29 -17.839 -5.635 -5.383 1.00 0.72 C ATOM 454 CG LYS A 29 -17.758 -5.358 -6.878 1.00 1.05 C ATOM 455 CD LYS A 29 -18.662 -4.213 -7.298 1.00 1.00 C ATOM 456 CE LYS A 29 -18.680 -4.063 -8.809 1.00 1.39 C ATOM 457 NZ LYS A 29 -19.715 -3.100 -9.261 1.00 1.23 N ATOM 0 H LYS A 29 -17.847 -6.480 -3.043 1.00 0.65 H new ATOM 0 HA LYS A 29 -18.146 -7.740 -5.553 1.00 0.70 H new ATOM 0 HB2 LYS A 29 -18.851 -5.427 -5.036 1.00 0.72 H new ATOM 0 HB3 LYS A 29 -17.174 -4.950 -4.856 1.00 0.72 H new ATOM 0 HG2 LYS A 29 -16.728 -5.123 -7.147 1.00 1.05 H new ATOM 0 HG3 LYS A 29 -18.034 -6.258 -7.428 1.00 1.05 H new ATOM 0 HD2 LYS A 29 -19.674 -4.391 -6.934 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -18.317 -3.286 -6.841 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -17.700 -3.729 -9.152 1.00 1.39 H new ATOM 0 HE3 LYS A 29 -18.864 -5.035 -9.267 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 -19.637 -2.964 -10.289 1.00 1.23 H new ATOM 0 HZ2 LYS A 29 -20.659 -3.472 -9.032 1.00 1.23 H new ATOM 0 HZ3 LYS A 29 -19.575 -2.189 -8.779 1.00 1.23 H new ATOM 471 N ILE A 30 -15.099 -7.074 -4.534 1.00 0.57 N ATOM 472 CA ILE A 30 -13.691 -7.337 -4.789 1.00 0.55 C ATOM 473 C ILE A 30 -13.453 -8.844 -4.840 1.00 0.61 C ATOM 474 O ILE A 30 -12.646 -9.328 -5.627 1.00 0.65 O ATOM 475 CB ILE A 30 -12.781 -6.700 -3.712 1.00 0.45 C ATOM 476 CG1 ILE A 30 -13.031 -5.191 -3.624 1.00 0.48 C ATOM 477 CG2 ILE A 30 -11.314 -6.974 -4.022 1.00 0.46 C ATOM 478 CD1 ILE A 30 -12.256 -4.509 -2.516 1.00 0.45 C ATOM 0 H ILE A 30 -15.292 -6.648 -3.627 1.00 0.57 H new ATOM 0 HA ILE A 30 -13.435 -6.885 -5.748 1.00 0.55 H new ATOM 0 HB ILE A 30 -13.022 -7.150 -2.749 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -12.766 -4.732 -4.576 1.00 0.48 H new ATOM 0 HG13 ILE A 30 -14.096 -5.016 -3.471 1.00 0.48 H new ATOM 0 HG21 ILE A 30 -10.689 -6.519 -3.254 1.00 0.46 H new ATOM 0 HG22 ILE A 30 -11.141 -8.050 -4.040 1.00 0.46 H new ATOM 0 HG23 ILE A 30 -11.062 -6.550 -4.994 1.00 0.46 H new ATOM 0 HD11 ILE A 30 -12.484 -3.443 -2.515 1.00 0.45 H new ATOM 0 HD12 ILE A 30 -12.538 -4.941 -1.556 1.00 0.45 H new ATOM 0 HD13 ILE A 30 -11.188 -4.652 -2.678 1.00 0.45 H new ATOM 490 N GLN A 31 -14.193 -9.583 -4.020 1.00 0.64 N ATOM 491 CA GLN A 31 -14.071 -11.038 -3.976 1.00 0.74 C ATOM 492 C GLN A 31 -14.651 -11.658 -5.246 1.00 0.81 C ATOM 493 O GLN A 31 -14.302 -12.776 -5.619 1.00 0.87 O ATOM 494 CB GLN A 31 -14.783 -11.603 -2.745 1.00 0.80 C ATOM 495 CG GLN A 31 -14.539 -13.091 -2.529 1.00 1.04 C ATOM 496 CD GLN A 31 -15.620 -13.755 -1.703 1.00 1.06 C ATOM 497 OE1 GLN A 31 -16.221 -13.138 -0.825 1.00 0.95 O ATOM 498 NE2 GLN A 31 -15.874 -15.020 -1.981 1.00 1.53 N ATOM 0 H GLN A 31 -14.884 -9.199 -3.376 1.00 0.64 H new ATOM 0 HA GLN A 31 -13.013 -11.290 -3.911 1.00 0.74 H new ATOM 0 HB2 GLN A 31 -14.452 -11.057 -1.862 1.00 0.80 H new ATOM 0 HB3 GLN A 31 -15.855 -11.430 -2.844 1.00 0.80 H new ATOM 0 HG2 GLN A 31 -14.474 -13.587 -3.497 1.00 1.04 H new ATOM 0 HG3 GLN A 31 -13.577 -13.228 -2.035 1.00 1.04 H new ATOM 0 HE21 GLN A 31 -15.352 -15.495 -2.718 1.00 1.53 H new ATOM 0 HE22 GLN A 31 -16.592 -15.523 -1.459 1.00 1.53 H new ATOM 507 N ASP A 32 -15.549 -10.929 -5.899 1.00 0.85 N ATOM 508 CA ASP A 32 -16.163 -11.404 -7.131 1.00 0.94 C ATOM 509 C ASP A 32 -15.231 -11.149 -8.310 1.00 0.97 C ATOM 510 O ASP A 32 -15.040 -12.019 -9.160 1.00 1.05 O ATOM 511 CB ASP A 32 -17.515 -10.719 -7.359 1.00 1.01 C ATOM 512 CG ASP A 32 -18.186 -11.151 -8.652 1.00 1.17 C ATOM 513 OD1 ASP A 32 -18.180 -12.364 -8.964 1.00 1.33 O ATOM 514 OD2 ASP A 32 -18.737 -10.276 -9.356 1.00 1.32 O ATOM 0 H ASP A 32 -15.867 -10.009 -5.596 1.00 0.85 H new ATOM 0 HA ASP A 32 -16.335 -12.477 -7.044 1.00 0.94 H new ATOM 0 HB2 ASP A 32 -18.175 -10.942 -6.521 1.00 1.01 H new ATOM 0 HB3 ASP A 32 -17.371 -9.639 -7.373 1.00 1.01 H new ATOM 519 N LYS A 33 -14.640 -9.957 -8.341 1.00 0.95 N ATOM 520 CA LYS A 33 -13.715 -9.584 -9.411 1.00 1.02 C ATOM 521 C LYS A 33 -12.377 -10.305 -9.244 1.00 0.98 C ATOM 522 O LYS A 33 -11.805 -10.818 -10.207 1.00 1.14 O ATOM 523 CB LYS A 33 -13.478 -8.068 -9.419 1.00 1.02 C ATOM 524 CG LYS A 33 -14.605 -7.255 -10.038 1.00 1.05 C ATOM 525 CD LYS A 33 -14.119 -5.863 -10.425 1.00 1.15 C ATOM 526 CE LYS A 33 -15.255 -4.983 -10.925 1.00 1.33 C ATOM 527 NZ LYS A 33 -14.761 -3.691 -11.485 1.00 1.55 N ATOM 0 H LYS A 33 -14.784 -9.232 -7.638 1.00 0.95 H new ATOM 0 HA LYS A 33 -14.165 -9.880 -10.358 1.00 1.02 H new ATOM 0 HB2 LYS A 33 -13.326 -7.732 -8.393 1.00 1.02 H new ATOM 0 HB3 LYS A 33 -12.556 -7.860 -9.963 1.00 1.02 H new ATOM 0 HG2 LYS A 33 -14.989 -7.769 -10.919 1.00 1.05 H new ATOM 0 HG3 LYS A 33 -15.431 -7.173 -9.332 1.00 1.05 H new ATOM 0 HD2 LYS A 33 -13.647 -5.391 -9.563 1.00 1.15 H new ATOM 0 HD3 LYS A 33 -13.357 -5.947 -11.200 1.00 1.15 H new ATOM 0 HE2 LYS A 33 -15.817 -5.518 -11.691 1.00 1.33 H new ATOM 0 HE3 LYS A 33 -15.945 -4.782 -10.105 1.00 1.33 H new ATOM 0 HZ1 LYS A 33 -15.500 -2.966 -11.389 1.00 1.55 H new ATOM 0 HZ2 LYS A 33 -13.911 -3.390 -10.966 1.00 1.55 H new ATOM 0 HZ3 LYS A 33 -14.527 -3.815 -12.491 1.00 1.55 H new ATOM 541 N GLU A 34 -11.883 -10.326 -8.014 1.00 0.84 N ATOM 542 CA GLU A 34 -10.620 -10.968 -7.693 1.00 0.82 C ATOM 543 C GLU A 34 -10.870 -12.289 -6.970 1.00 0.82 C ATOM 544 O GLU A 34 -11.968 -12.832 -7.027 1.00 1.08 O ATOM 545 CB GLU A 34 -9.771 -10.034 -6.822 1.00 0.75 C ATOM 546 CG GLU A 34 -8.418 -9.701 -7.425 1.00 1.08 C ATOM 547 CD GLU A 34 -7.622 -10.942 -7.756 1.00 1.63 C ATOM 548 OE1 GLU A 34 -7.340 -11.732 -6.833 1.00 1.88 O ATOM 549 OE2 GLU A 34 -7.286 -11.139 -8.942 1.00 2.06 O ATOM 0 H GLU A 34 -12.347 -9.898 -7.213 1.00 0.84 H new ATOM 0 HA GLU A 34 -10.080 -11.177 -8.617 1.00 0.82 H new ATOM 0 HB2 GLU A 34 -10.322 -9.109 -6.653 1.00 0.75 H new ATOM 0 HB3 GLU A 34 -9.620 -10.498 -5.847 1.00 0.75 H new ATOM 0 HG2 GLU A 34 -8.560 -9.110 -8.330 1.00 1.08 H new ATOM 0 HG3 GLU A 34 -7.853 -9.084 -6.727 1.00 1.08 H new ATOM 556 N GLY A 35 -9.848 -12.811 -6.312 1.00 0.96 N ATOM 557 CA GLY A 35 -9.995 -14.056 -5.588 1.00 0.98 C ATOM 558 C GLY A 35 -9.631 -13.905 -4.125 1.00 0.87 C ATOM 559 O GLY A 35 -9.157 -14.851 -3.493 1.00 1.01 O ATOM 0 H GLY A 35 -8.918 -12.395 -6.266 1.00 0.96 H new ATOM 0 HA2 GLY A 35 -11.024 -14.405 -5.672 1.00 0.98 H new ATOM 0 HA3 GLY A 35 -9.362 -14.818 -6.043 1.00 0.98 H new ATOM 563 N ILE A 36 -9.850 -12.715 -3.588 1.00 0.83 N ATOM 564 CA ILE A 36 -9.533 -12.434 -2.193 1.00 0.72 C ATOM 565 C ILE A 36 -10.808 -12.220 -1.380 1.00 0.68 C ATOM 566 O ILE A 36 -11.596 -11.323 -1.682 1.00 0.71 O ATOM 567 CB ILE A 36 -8.639 -11.180 -2.056 1.00 0.70 C ATOM 568 CG1 ILE A 36 -7.489 -11.224 -3.068 1.00 0.86 C ATOM 569 CG2 ILE A 36 -8.096 -11.065 -0.634 1.00 0.66 C ATOM 570 CD1 ILE A 36 -6.712 -9.928 -3.162 1.00 0.88 C ATOM 0 H ILE A 36 -10.247 -11.925 -4.097 1.00 0.83 H new ATOM 0 HA ILE A 36 -8.992 -13.299 -1.810 1.00 0.72 H new ATOM 0 HB ILE A 36 -9.247 -10.300 -2.266 1.00 0.70 H new ATOM 0 HG12 ILE A 36 -6.806 -12.028 -2.794 1.00 0.86 H new ATOM 0 HG13 ILE A 36 -7.891 -11.469 -4.051 1.00 0.86 H new ATOM 0 HG21 ILE A 36 -7.469 -10.177 -0.555 1.00 0.66 H new ATOM 0 HG22 ILE A 36 -8.927 -10.986 0.067 1.00 0.66 H new ATOM 0 HG23 ILE A 36 -7.504 -11.949 -0.398 1.00 0.66 H new ATOM 0 HD11 ILE A 36 -5.915 -10.034 -3.897 1.00 0.88 H new ATOM 0 HD12 ILE A 36 -7.382 -9.124 -3.467 1.00 0.88 H new ATOM 0 HD13 ILE A 36 -6.280 -9.692 -2.190 1.00 0.88 H new ATOM 582 N PRO A 37 -11.033 -13.051 -0.348 1.00 0.70 N ATOM 583 CA PRO A 37 -12.211 -12.935 0.517 1.00 0.76 C ATOM 584 C PRO A 37 -12.144 -11.687 1.401 1.00 0.68 C ATOM 585 O PRO A 37 -11.057 -11.177 1.678 1.00 0.66 O ATOM 586 CB PRO A 37 -12.148 -14.200 1.378 1.00 0.91 C ATOM 587 CG PRO A 37 -10.706 -14.573 1.394 1.00 0.86 C ATOM 588 CD PRO A 37 -10.159 -14.168 0.054 1.00 0.75 C ATOM 0 HA PRO A 37 -13.135 -12.842 -0.054 1.00 0.76 H new ATOM 0 HB2 PRO A 37 -12.520 -14.013 2.385 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -12.759 -14.998 0.956 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -10.180 -14.063 2.201 1.00 0.86 H new ATOM 0 HG3 PRO A 37 -10.582 -15.643 1.559 1.00 0.86 H new ATOM 0 HD2 PRO A 37 -9.116 -13.858 0.123 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -10.201 -14.989 -0.662 1.00 0.75 H new ATOM 596 N PRO A 38 -13.307 -11.196 1.879 1.00 0.67 N ATOM 597 CA PRO A 38 -13.386 -10.000 2.736 1.00 0.65 C ATOM 598 C PRO A 38 -12.550 -10.130 4.011 1.00 0.74 C ATOM 599 O PRO A 38 -12.139 -9.131 4.599 1.00 0.75 O ATOM 600 CB PRO A 38 -14.879 -9.891 3.087 1.00 0.70 C ATOM 601 CG PRO A 38 -15.463 -11.221 2.755 1.00 0.76 C ATOM 602 CD PRO A 38 -14.639 -11.767 1.625 1.00 0.73 C ATOM 0 HA PRO A 38 -12.991 -9.122 2.225 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -15.018 -9.653 4.142 1.00 0.70 H new ATOM 0 HB3 PRO A 38 -15.360 -9.097 2.515 1.00 0.70 H new ATOM 0 HG2 PRO A 38 -15.431 -11.887 3.617 1.00 0.76 H new ATOM 0 HG3 PRO A 38 -16.509 -11.126 2.464 1.00 0.76 H new ATOM 0 HD2 PRO A 38 -14.618 -12.857 1.631 1.00 0.73 H new ATOM 0 HD3 PRO A 38 -15.031 -11.461 0.655 1.00 0.73 H new ATOM 610 N ASP A 39 -12.291 -11.372 4.413 1.00 0.85 N ATOM 611 CA ASP A 39 -11.511 -11.661 5.615 1.00 1.00 C ATOM 612 C ASP A 39 -10.093 -11.112 5.518 1.00 0.95 C ATOM 613 O ASP A 39 -9.487 -10.751 6.525 1.00 1.05 O ATOM 614 CB ASP A 39 -11.448 -13.170 5.856 1.00 1.20 C ATOM 615 CG ASP A 39 -12.770 -13.746 6.302 1.00 1.18 C ATOM 616 OD1 ASP A 39 -13.076 -13.665 7.510 1.00 1.53 O ATOM 617 OD2 ASP A 39 -13.505 -14.279 5.450 1.00 1.57 O ATOM 0 H ASP A 39 -12.614 -12.203 3.918 1.00 0.85 H new ATOM 0 HA ASP A 39 -12.013 -11.170 6.449 1.00 1.00 H new ATOM 0 HB2 ASP A 39 -11.131 -13.667 4.939 1.00 1.20 H new ATOM 0 HB3 ASP A 39 -10.691 -13.382 6.611 1.00 1.20 H new ATOM 622 N GLN A 40 -9.566 -11.049 4.303 1.00 0.91 N ATOM 623 CA GLN A 40 -8.211 -10.559 4.087 1.00 0.94 C ATOM 624 C GLN A 40 -8.221 -9.245 3.315 1.00 0.84 C ATOM 625 O GLN A 40 -7.192 -8.808 2.802 1.00 0.93 O ATOM 626 CB GLN A 40 -7.385 -11.609 3.336 1.00 1.05 C ATOM 627 CG GLN A 40 -6.913 -12.753 4.219 1.00 1.25 C ATOM 628 CD GLN A 40 -7.185 -14.116 3.612 1.00 1.38 C ATOM 629 OE1 GLN A 40 -6.388 -14.633 2.832 1.00 1.98 O ATOM 630 NE2 GLN A 40 -8.307 -14.714 3.980 1.00 1.60 N ATOM 0 H GLN A 40 -10.055 -11.330 3.453 1.00 0.91 H new ATOM 0 HA GLN A 40 -7.755 -10.376 5.060 1.00 0.94 H new ATOM 0 HB2 GLN A 40 -7.982 -12.014 2.519 1.00 1.05 H new ATOM 0 HB3 GLN A 40 -6.518 -11.125 2.887 1.00 1.05 H new ATOM 0 HG2 GLN A 40 -5.843 -12.648 4.400 1.00 1.25 H new ATOM 0 HG3 GLN A 40 -7.409 -12.686 5.188 1.00 1.25 H new ATOM 0 HE21 GLN A 40 -8.942 -14.251 4.630 1.00 1.60 H new ATOM 0 HE22 GLN A 40 -8.536 -15.638 3.614 1.00 1.60 H new ATOM 639 N GLN A 41 -9.379 -8.604 3.259 1.00 0.75 N ATOM 640 CA GLN A 41 -9.514 -7.344 2.544 1.00 0.70 C ATOM 641 C GLN A 41 -9.150 -6.171 3.452 1.00 0.60 C ATOM 642 O GLN A 41 -10.010 -5.381 3.848 1.00 0.68 O ATOM 643 CB GLN A 41 -10.941 -7.183 2.018 1.00 0.73 C ATOM 644 CG GLN A 41 -11.014 -6.730 0.569 1.00 0.74 C ATOM 645 CD GLN A 41 -10.642 -7.832 -0.401 1.00 0.74 C ATOM 646 OE1 GLN A 41 -9.482 -7.979 -0.775 1.00 1.32 O ATOM 647 NE2 GLN A 41 -11.628 -8.615 -0.812 1.00 0.87 N ATOM 0 H GLN A 41 -10.237 -8.935 3.699 1.00 0.75 H new ATOM 0 HA GLN A 41 -8.827 -7.352 1.698 1.00 0.70 H new ATOM 0 HB2 GLN A 41 -11.465 -8.134 2.118 1.00 0.73 H new ATOM 0 HB3 GLN A 41 -11.469 -6.461 2.641 1.00 0.73 H new ATOM 0 HG2 GLN A 41 -12.024 -6.383 0.350 1.00 0.74 H new ATOM 0 HG3 GLN A 41 -10.347 -5.881 0.423 1.00 0.74 H new ATOM 0 HE21 GLN A 41 -12.578 -8.458 -0.476 1.00 0.87 H new ATOM 0 HE22 GLN A 41 -11.437 -9.375 -1.465 1.00 0.87 H new ATOM 656 N ARG A 42 -7.871 -6.071 3.786 1.00 0.54 N ATOM 657 CA ARG A 42 -7.380 -5.003 4.644 1.00 0.55 C ATOM 658 C ARG A 42 -7.198 -3.723 3.833 1.00 0.47 C ATOM 659 O ARG A 42 -6.119 -3.442 3.308 1.00 0.51 O ATOM 660 CB ARG A 42 -6.068 -5.428 5.315 1.00 0.71 C ATOM 661 CG ARG A 42 -5.446 -4.377 6.223 1.00 0.83 C ATOM 662 CD ARG A 42 -4.358 -4.981 7.099 1.00 1.06 C ATOM 663 NE ARG A 42 -3.582 -3.960 7.805 1.00 0.88 N ATOM 664 CZ ARG A 42 -3.956 -3.386 8.949 1.00 0.94 C ATOM 665 NH1 ARG A 42 -5.112 -3.709 9.520 1.00 1.58 N ATOM 666 NH2 ARG A 42 -3.166 -2.487 9.522 1.00 1.55 N ATOM 0 H ARG A 42 -7.151 -6.722 3.473 1.00 0.54 H new ATOM 0 HA ARG A 42 -8.111 -4.805 5.428 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.250 -6.330 5.899 1.00 0.71 H new ATOM 0 HB3 ARG A 42 -5.348 -5.690 4.540 1.00 0.71 H new ATOM 0 HG2 ARG A 42 -5.026 -3.573 5.619 1.00 0.83 H new ATOM 0 HG3 ARG A 42 -6.218 -3.933 6.852 1.00 0.83 H new ATOM 0 HD2 ARG A 42 -4.812 -5.656 7.825 1.00 1.06 H new ATOM 0 HD3 ARG A 42 -3.689 -5.580 6.482 1.00 1.06 H new ATOM 0 HE ARG A 42 -2.695 -3.668 7.394 1.00 0.88 H new ATOM 0 HH11 ARG A 42 -5.721 -4.401 9.083 1.00 1.58 H new ATOM 0 HH12 ARG A 42 -5.390 -3.265 10.395 1.00 1.58 H new ATOM 0 HH21 ARG A 42 -2.277 -2.238 9.087 1.00 1.55 H new ATOM 0 HH22 ARG A 42 -3.447 -2.045 10.397 1.00 1.55 H new ATOM 680 N LEU A 43 -8.279 -2.968 3.709 1.00 0.47 N ATOM 681 CA LEU A 43 -8.263 -1.719 2.967 1.00 0.43 C ATOM 682 C LEU A 43 -7.941 -0.558 3.893 1.00 0.47 C ATOM 683 O LEU A 43 -8.641 -0.328 4.884 1.00 0.55 O ATOM 684 CB LEU A 43 -9.617 -1.484 2.291 1.00 0.44 C ATOM 685 CG LEU A 43 -9.928 -2.400 1.107 1.00 0.40 C ATOM 686 CD1 LEU A 43 -11.416 -2.366 0.785 1.00 0.50 C ATOM 687 CD2 LEU A 43 -9.110 -1.990 -0.109 1.00 0.40 C ATOM 0 H LEU A 43 -9.184 -3.202 4.117 1.00 0.47 H new ATOM 0 HA LEU A 43 -7.491 -1.784 2.200 1.00 0.43 H new ATOM 0 HB2 LEU A 43 -10.402 -1.604 3.037 1.00 0.44 H new ATOM 0 HB3 LEU A 43 -9.658 -0.450 1.949 1.00 0.44 H new ATOM 0 HG LEU A 43 -9.657 -3.421 1.378 1.00 0.40 H new ATOM 0 HD11 LEU A 43 -11.620 -3.023 -0.060 1.00 0.50 H new ATOM 0 HD12 LEU A 43 -11.984 -2.703 1.652 1.00 0.50 H new ATOM 0 HD13 LEU A 43 -11.710 -1.347 0.532 1.00 0.50 H new ATOM 0 HD21 LEU A 43 -9.342 -2.651 -0.944 1.00 0.40 H new ATOM 0 HD22 LEU A 43 -9.353 -0.963 -0.381 1.00 0.40 H new ATOM 0 HD23 LEU A 43 -8.048 -2.062 0.126 1.00 0.40 H new ATOM 699 N ILE A 44 -6.882 0.168 3.570 1.00 0.45 N ATOM 700 CA ILE A 44 -6.462 1.307 4.370 1.00 0.50 C ATOM 701 C ILE A 44 -6.656 2.605 3.590 1.00 0.52 C ATOM 702 O ILE A 44 -6.190 2.736 2.456 1.00 0.52 O ATOM 703 CB ILE A 44 -4.987 1.173 4.807 1.00 0.54 C ATOM 704 CG1 ILE A 44 -4.793 -0.109 5.622 1.00 0.54 C ATOM 705 CG2 ILE A 44 -4.551 2.387 5.612 1.00 0.63 C ATOM 706 CD1 ILE A 44 -3.385 -0.296 6.148 1.00 0.62 C ATOM 0 H ILE A 44 -6.295 -0.013 2.755 1.00 0.45 H new ATOM 0 HA ILE A 44 -7.083 1.330 5.266 1.00 0.50 H new ATOM 0 HB ILE A 44 -4.365 1.118 3.913 1.00 0.54 H new ATOM 0 HG12 ILE A 44 -5.486 -0.101 6.463 1.00 0.54 H new ATOM 0 HG13 ILE A 44 -5.055 -0.966 5.001 1.00 0.54 H new ATOM 0 HG21 ILE A 44 -3.509 2.271 5.909 1.00 0.63 H new ATOM 0 HG22 ILE A 44 -4.657 3.285 5.003 1.00 0.63 H new ATOM 0 HG23 ILE A 44 -5.174 2.477 6.502 1.00 0.63 H new ATOM 0 HD11 ILE A 44 -3.329 -1.226 6.714 1.00 0.62 H new ATOM 0 HD12 ILE A 44 -2.687 -0.337 5.312 1.00 0.62 H new ATOM 0 HD13 ILE A 44 -3.125 0.540 6.797 1.00 0.62 H new ATOM 718 N PHE A 45 -7.351 3.554 4.202 1.00 0.56 N ATOM 719 CA PHE A 45 -7.626 4.839 3.578 1.00 0.59 C ATOM 720 C PHE A 45 -7.011 5.968 4.398 1.00 0.68 C ATOM 721 O PHE A 45 -7.469 6.258 5.504 1.00 0.72 O ATOM 722 CB PHE A 45 -9.140 5.044 3.447 1.00 0.65 C ATOM 723 CG PHE A 45 -9.529 6.340 2.789 1.00 0.73 C ATOM 724 CD1 PHE A 45 -9.304 6.538 1.438 1.00 0.79 C ATOM 725 CD2 PHE A 45 -10.119 7.358 3.523 1.00 0.85 C ATOM 726 CE1 PHE A 45 -9.661 7.724 0.828 1.00 0.92 C ATOM 727 CE2 PHE A 45 -10.479 8.549 2.918 1.00 0.96 C ATOM 728 CZ PHE A 45 -10.248 8.731 1.569 1.00 0.98 C ATOM 0 H PHE A 45 -7.738 3.455 5.141 1.00 0.56 H new ATOM 0 HA PHE A 45 -7.180 4.849 2.583 1.00 0.59 H new ATOM 0 HB2 PHE A 45 -9.560 4.217 2.874 1.00 0.65 H new ATOM 0 HB3 PHE A 45 -9.589 5.004 4.440 1.00 0.65 H new ATOM 0 HD1 PHE A 45 -8.843 5.755 0.854 1.00 0.79 H new ATOM 0 HD2 PHE A 45 -10.299 7.220 4.579 1.00 0.85 H new ATOM 0 HE1 PHE A 45 -9.481 7.864 -0.228 1.00 0.92 H new ATOM 0 HE2 PHE A 45 -10.939 9.334 3.499 1.00 0.96 H new ATOM 0 HZ PHE A 45 -10.526 9.660 1.094 1.00 0.98 H new ATOM 738 N ALA A 46 -5.951 6.574 3.856 1.00 0.79 N ATOM 739 CA ALA A 46 -5.252 7.685 4.508 1.00 0.95 C ATOM 740 C ALA A 46 -4.695 7.279 5.873 1.00 0.94 C ATOM 741 O ALA A 46 -4.429 8.124 6.723 1.00 1.10 O ATOM 742 CB ALA A 46 -6.173 8.896 4.636 1.00 1.05 C ATOM 0 H ALA A 46 -5.554 6.309 2.955 1.00 0.79 H new ATOM 0 HA ALA A 46 -4.405 7.958 3.879 1.00 0.95 H new ATOM 0 HB1 ALA A 46 -5.637 9.711 5.122 1.00 1.05 H new ATOM 0 HB2 ALA A 46 -6.495 9.214 3.645 1.00 1.05 H new ATOM 0 HB3 ALA A 46 -7.045 8.628 5.233 1.00 1.05 H new ATOM 748 N GLY A 47 -4.511 5.981 6.070 1.00 0.93 N ATOM 749 CA GLY A 47 -3.988 5.490 7.330 1.00 0.93 C ATOM 750 C GLY A 47 -5.059 4.825 8.172 1.00 0.82 C ATOM 751 O GLY A 47 -4.765 3.964 8.995 1.00 0.91 O ATOM 0 H GLY A 47 -4.715 5.258 5.380 1.00 0.93 H new ATOM 0 HA2 GLY A 47 -3.186 4.778 7.136 1.00 0.93 H new ATOM 0 HA3 GLY A 47 -3.551 6.318 7.888 1.00 0.93 H new ATOM 755 N LYS A 48 -6.302 5.219 7.954 1.00 0.78 N ATOM 756 CA LYS A 48 -7.419 4.664 8.699 1.00 0.77 C ATOM 757 C LYS A 48 -7.985 3.444 7.984 1.00 0.68 C ATOM 758 O LYS A 48 -8.264 3.490 6.785 1.00 0.61 O ATOM 759 CB LYS A 48 -8.514 5.720 8.868 1.00 0.91 C ATOM 760 CG LYS A 48 -9.689 5.261 9.718 1.00 1.51 C ATOM 761 CD LYS A 48 -9.364 5.328 11.200 1.00 2.12 C ATOM 762 CE LYS A 48 -10.529 4.846 12.047 1.00 2.92 C ATOM 763 NZ LYS A 48 -10.460 5.382 13.430 1.00 3.57 N ATOM 0 H LYS A 48 -6.564 5.924 7.265 1.00 0.78 H new ATOM 0 HA LYS A 48 -7.060 4.359 9.682 1.00 0.77 H new ATOM 0 HB2 LYS A 48 -8.078 6.611 9.319 1.00 0.91 H new ATOM 0 HB3 LYS A 48 -8.882 6.008 7.883 1.00 0.91 H new ATOM 0 HG2 LYS A 48 -10.558 5.884 9.506 1.00 1.51 H new ATOM 0 HG3 LYS A 48 -9.957 4.239 9.449 1.00 1.51 H new ATOM 0 HD2 LYS A 48 -8.484 4.719 11.409 1.00 2.12 H new ATOM 0 HD3 LYS A 48 -9.114 6.353 11.473 1.00 2.12 H new ATOM 0 HE2 LYS A 48 -11.467 5.153 11.584 1.00 2.92 H new ATOM 0 HE3 LYS A 48 -10.530 3.756 12.078 1.00 2.92 H new ATOM 0 HZ1 LYS A 48 -11.271 5.032 13.979 1.00 3.57 H new ATOM 0 HZ2 LYS A 48 -9.576 5.069 13.880 1.00 3.57 H new ATOM 0 HZ3 LYS A 48 -10.484 6.421 13.401 1.00 3.57 H new ATOM 777 N GLN A 49 -8.135 2.348 8.712 1.00 0.77 N ATOM 778 CA GLN A 49 -8.684 1.131 8.134 1.00 0.74 C ATOM 779 C GLN A 49 -10.187 1.291 7.924 1.00 0.72 C ATOM 780 O GLN A 49 -10.889 1.830 8.785 1.00 0.78 O ATOM 781 CB GLN A 49 -8.382 -0.093 9.016 1.00 0.80 C ATOM 782 CG GLN A 49 -9.086 -0.096 10.370 1.00 1.06 C ATOM 783 CD GLN A 49 -8.490 0.891 11.357 1.00 1.51 C ATOM 784 OE1 GLN A 49 -7.310 1.233 11.279 1.00 1.83 O ATOM 785 NE2 GLN A 49 -9.297 1.348 12.299 1.00 2.01 N ATOM 0 H GLN A 49 -7.886 2.276 9.698 1.00 0.77 H new ATOM 0 HA GLN A 49 -8.207 0.962 7.168 1.00 0.74 H new ATOM 0 HB2 GLN A 49 -8.667 -0.994 8.472 1.00 0.80 H new ATOM 0 HB3 GLN A 49 -7.306 -0.147 9.182 1.00 0.80 H new ATOM 0 HG2 GLN A 49 -10.141 0.138 10.224 1.00 1.06 H new ATOM 0 HG3 GLN A 49 -9.038 -1.099 10.795 1.00 1.06 H new ATOM 0 HE21 GLN A 49 -10.269 1.041 12.331 1.00 2.01 H new ATOM 0 HE22 GLN A 49 -8.948 2.008 12.994 1.00 2.01 H new ATOM 794 N LEU A 50 -10.669 0.846 6.772 1.00 0.68 N ATOM 795 CA LEU A 50 -12.086 0.952 6.447 1.00 0.68 C ATOM 796 C LEU A 50 -12.896 -0.099 7.194 1.00 0.71 C ATOM 797 O LEU A 50 -12.788 -1.296 6.913 1.00 0.69 O ATOM 798 CB LEU A 50 -12.306 0.795 4.938 1.00 0.64 C ATOM 799 CG LEU A 50 -11.617 1.841 4.060 1.00 0.62 C ATOM 800 CD1 LEU A 50 -11.859 1.542 2.591 1.00 0.56 C ATOM 801 CD2 LEU A 50 -12.109 3.238 4.405 1.00 0.72 C ATOM 0 H LEU A 50 -10.101 0.408 6.047 1.00 0.68 H new ATOM 0 HA LEU A 50 -12.425 1.941 6.756 1.00 0.68 H new ATOM 0 HB2 LEU A 50 -11.956 -0.193 4.638 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -13.377 0.828 4.739 1.00 0.64 H new ATOM 0 HG LEU A 50 -10.545 1.797 4.251 1.00 0.62 H new ATOM 0 HD11 LEU A 50 -11.362 2.295 1.980 1.00 0.56 H new ATOM 0 HD12 LEU A 50 -11.459 0.557 2.349 1.00 0.56 H new ATOM 0 HD13 LEU A 50 -12.930 1.558 2.388 1.00 0.56 H new ATOM 0 HD21 LEU A 50 -11.607 3.968 3.770 1.00 0.72 H new ATOM 0 HD22 LEU A 50 -13.185 3.295 4.243 1.00 0.72 H new ATOM 0 HD23 LEU A 50 -11.888 3.454 5.450 1.00 0.72 H new ATOM 813 N GLU A 51 -13.695 0.351 8.154 1.00 0.76 N ATOM 814 CA GLU A 51 -14.534 -0.551 8.929 1.00 0.79 C ATOM 815 C GLU A 51 -15.680 -1.051 8.059 1.00 0.76 C ATOM 816 O GLU A 51 -16.159 -0.332 7.182 1.00 0.77 O ATOM 817 CB GLU A 51 -15.075 0.154 10.175 1.00 0.88 C ATOM 818 CG GLU A 51 -14.002 0.851 10.998 1.00 0.94 C ATOM 819 CD GLU A 51 -14.567 1.574 12.202 1.00 1.04 C ATOM 820 OE1 GLU A 51 -15.108 2.687 12.034 1.00 1.33 O ATOM 821 OE2 GLU A 51 -14.468 1.035 13.328 1.00 1.25 O ATOM 0 H GLU A 51 -13.779 1.334 8.413 1.00 0.76 H new ATOM 0 HA GLU A 51 -13.936 -1.401 9.256 1.00 0.79 H new ATOM 0 HB2 GLU A 51 -15.821 0.888 9.871 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -15.584 -0.577 10.803 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -13.270 0.115 11.332 1.00 0.94 H new ATOM 0 HG3 GLU A 51 -13.472 1.564 10.367 1.00 0.94 H new ATOM 828 N ASP A 52 -16.117 -2.278 8.301 1.00 0.77 N ATOM 829 CA ASP A 52 -17.194 -2.879 7.516 1.00 0.77 C ATOM 830 C ASP A 52 -18.498 -2.109 7.662 1.00 0.82 C ATOM 831 O ASP A 52 -19.175 -1.833 6.668 1.00 0.81 O ATOM 832 CB ASP A 52 -17.393 -4.339 7.917 1.00 0.81 C ATOM 833 CG ASP A 52 -16.302 -5.231 7.362 1.00 1.32 C ATOM 834 OD1 ASP A 52 -15.942 -5.067 6.178 1.00 1.87 O ATOM 835 OD2 ASP A 52 -15.787 -6.089 8.111 1.00 1.66 O ATOM 0 H ASP A 52 -15.744 -2.880 9.035 1.00 0.77 H new ATOM 0 HA ASP A 52 -16.900 -2.833 6.467 1.00 0.77 H new ATOM 0 HB2 ASP A 52 -17.409 -4.418 9.004 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -18.362 -4.685 7.558 1.00 0.81 H new ATOM 840 N GLY A 53 -18.844 -1.752 8.893 1.00 0.93 N ATOM 841 CA GLY A 53 -20.070 -1.012 9.138 1.00 1.01 C ATOM 842 C GLY A 53 -19.911 0.475 8.889 1.00 0.95 C ATOM 843 O GLY A 53 -20.227 1.293 9.751 1.00 1.04 O ATOM 0 H GLY A 53 -18.297 -1.962 9.728 1.00 0.93 H new ATOM 0 HA2 GLY A 53 -20.860 -1.402 8.496 1.00 1.01 H new ATOM 0 HA3 GLY A 53 -20.388 -1.173 10.168 1.00 1.01 H new ATOM 847 N ARG A 54 -19.421 0.822 7.708 1.00 0.92 N ATOM 848 CA ARG A 54 -19.217 2.211 7.329 1.00 0.87 C ATOM 849 C ARG A 54 -19.593 2.405 5.867 1.00 0.83 C ATOM 850 O ARG A 54 -19.741 1.429 5.127 1.00 0.82 O ATOM 851 CB ARG A 54 -17.754 2.613 7.529 1.00 0.87 C ATOM 852 CG ARG A 54 -17.307 2.658 8.979 1.00 0.92 C ATOM 853 CD ARG A 54 -17.772 3.927 9.667 1.00 1.02 C ATOM 854 NE ARG A 54 -17.182 4.078 10.998 1.00 1.23 N ATOM 855 CZ ARG A 54 -17.427 5.107 11.802 1.00 1.64 C ATOM 856 NH1 ARG A 54 -18.206 6.100 11.398 1.00 1.89 N ATOM 857 NH2 ARG A 54 -16.879 5.155 13.008 1.00 1.95 N ATOM 0 H ARG A 54 -19.155 0.150 6.988 1.00 0.92 H new ATOM 0 HA ARG A 54 -19.847 2.837 7.960 1.00 0.87 H new ATOM 0 HB2 ARG A 54 -17.120 1.911 6.988 1.00 0.87 H new ATOM 0 HB3 ARG A 54 -17.596 3.595 7.082 1.00 0.87 H new ATOM 0 HG2 ARG A 54 -17.701 1.791 9.509 1.00 0.92 H new ATOM 0 HG3 ARG A 54 -16.220 2.594 9.027 1.00 0.92 H new ATOM 0 HD2 ARG A 54 -17.509 4.789 9.054 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -18.859 3.916 9.751 1.00 1.02 H new ATOM 0 HE ARG A 54 -16.546 3.351 11.327 1.00 1.23 H new ATOM 0 HH11 ARG A 54 -18.620 6.076 10.466 1.00 1.89 H new ATOM 0 HH12 ARG A 54 -18.391 6.888 12.019 1.00 1.89 H new ATOM 0 HH21 ARG A 54 -16.268 4.401 13.321 1.00 1.95 H new ATOM 0 HH22 ARG A 54 -17.069 5.946 13.623 1.00 1.95 H new ATOM 871 N THR A 55 -19.742 3.655 5.457 1.00 0.84 N ATOM 872 CA THR A 55 -20.081 3.971 4.080 1.00 0.82 C ATOM 873 C THR A 55 -19.037 4.905 3.480 1.00 0.80 C ATOM 874 O THR A 55 -18.278 5.548 4.211 1.00 0.83 O ATOM 875 CB THR A 55 -21.473 4.630 3.980 1.00 0.89 C ATOM 876 OG1 THR A 55 -21.691 5.494 5.106 1.00 1.07 O ATOM 877 CG2 THR A 55 -22.570 3.581 3.918 1.00 0.85 C ATOM 0 H THR A 55 -19.633 4.469 6.061 1.00 0.84 H new ATOM 0 HA THR A 55 -20.100 3.034 3.523 1.00 0.82 H new ATOM 0 HB THR A 55 -21.505 5.216 3.062 1.00 0.89 H new ATOM 0 HG1 THR A 55 -22.576 5.909 5.033 1.00 1.07 H new ATOM 0 HG21 THR A 55 -23.540 4.073 3.848 1.00 0.85 H new ATOM 0 HG22 THR A 55 -22.420 2.949 3.043 1.00 0.85 H new ATOM 0 HG23 THR A 55 -22.538 2.968 4.819 1.00 0.85 H new ATOM 885 N LEU A 56 -19.002 4.988 2.154 1.00 0.78 N ATOM 886 CA LEU A 56 -18.044 5.849 1.466 1.00 0.77 C ATOM 887 C LEU A 56 -18.265 7.314 1.836 1.00 0.83 C ATOM 888 O LEU A 56 -17.311 8.076 2.015 1.00 0.88 O ATOM 889 CB LEU A 56 -18.158 5.671 -0.053 1.00 0.77 C ATOM 890 CG LEU A 56 -18.032 4.231 -0.563 1.00 0.73 C ATOM 891 CD1 LEU A 56 -18.197 4.188 -2.072 1.00 0.91 C ATOM 892 CD2 LEU A 56 -16.693 3.628 -0.162 1.00 1.12 C ATOM 0 H LEU A 56 -19.625 4.470 1.534 1.00 0.78 H new ATOM 0 HA LEU A 56 -17.042 5.559 1.783 1.00 0.77 H new ATOM 0 HB2 LEU A 56 -19.120 6.069 -0.376 1.00 0.77 H new ATOM 0 HB3 LEU A 56 -17.387 6.275 -0.530 1.00 0.77 H new ATOM 0 HG LEU A 56 -18.824 3.639 -0.106 1.00 0.73 H new ATOM 0 HD11 LEU A 56 -18.105 3.159 -2.419 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -19.179 4.575 -2.342 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -17.425 4.799 -2.540 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -16.628 2.606 -0.535 1.00 1.12 H new ATOM 0 HD22 LEU A 56 -15.884 4.222 -0.588 1.00 1.12 H new ATOM 0 HD23 LEU A 56 -16.607 3.623 0.925 1.00 1.12 H new ATOM 904 N SER A 57 -19.529 7.699 1.958 1.00 0.84 N ATOM 905 CA SER A 57 -19.892 9.065 2.302 1.00 0.90 C ATOM 906 C SER A 57 -19.551 9.382 3.757 1.00 0.95 C ATOM 907 O SER A 57 -19.213 10.520 4.088 1.00 1.03 O ATOM 908 CB SER A 57 -21.386 9.271 2.051 1.00 0.93 C ATOM 909 OG SER A 57 -21.846 8.393 1.038 1.00 1.15 O ATOM 0 H SER A 57 -20.326 7.077 1.822 1.00 0.84 H new ATOM 0 HA SER A 57 -19.317 9.745 1.673 1.00 0.90 H new ATOM 0 HB2 SER A 57 -21.943 9.096 2.972 1.00 0.93 H new ATOM 0 HB3 SER A 57 -21.572 10.304 1.757 1.00 0.93 H new ATOM 0 HG SER A 57 -22.804 8.537 0.891 1.00 1.15 H new ATOM 915 N ASP A 58 -19.621 8.367 4.619 1.00 0.93 N ATOM 916 CA ASP A 58 -19.326 8.538 6.042 1.00 0.99 C ATOM 917 C ASP A 58 -17.866 8.928 6.247 1.00 0.99 C ATOM 918 O ASP A 58 -17.531 9.697 7.152 1.00 1.06 O ATOM 919 CB ASP A 58 -19.635 7.249 6.807 1.00 1.04 C ATOM 920 CG ASP A 58 -19.665 7.448 8.309 1.00 1.27 C ATOM 921 OD1 ASP A 58 -20.079 8.534 8.766 1.00 1.93 O ATOM 922 OD2 ASP A 58 -19.301 6.509 9.043 1.00 1.45 O ATOM 0 H ASP A 58 -19.880 7.416 4.356 1.00 0.93 H new ATOM 0 HA ASP A 58 -19.957 9.339 6.427 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -20.598 6.859 6.478 1.00 1.04 H new ATOM 0 HB3 ASP A 58 -18.885 6.497 6.560 1.00 1.04 H new ATOM 927 N TYR A 59 -17.002 8.390 5.398 1.00 0.95 N ATOM 928 CA TYR A 59 -15.575 8.688 5.465 1.00 0.97 C ATOM 929 C TYR A 59 -15.257 9.940 4.658 1.00 1.00 C ATOM 930 O TYR A 59 -14.174 10.511 4.781 1.00 1.06 O ATOM 931 CB TYR A 59 -14.746 7.520 4.921 1.00 0.94 C ATOM 932 CG TYR A 59 -14.523 6.397 5.908 1.00 0.89 C ATOM 933 CD1 TYR A 59 -13.716 6.573 7.026 1.00 0.91 C ATOM 934 CD2 TYR A 59 -15.113 5.158 5.714 1.00 0.87 C ATOM 935 CE1 TYR A 59 -13.508 5.544 7.923 1.00 0.91 C ATOM 936 CE2 TYR A 59 -14.911 4.124 6.606 1.00 0.88 C ATOM 937 CZ TYR A 59 -14.107 4.322 7.710 1.00 0.88 C ATOM 938 OH TYR A 59 -13.910 3.296 8.604 1.00 0.93 O ATOM 0 H TYR A 59 -17.263 7.744 4.653 1.00 0.95 H new ATOM 0 HA TYR A 59 -15.319 8.851 6.512 1.00 0.97 H new ATOM 0 HB2 TYR A 59 -15.243 7.118 4.038 1.00 0.94 H new ATOM 0 HB3 TYR A 59 -13.777 7.899 4.596 1.00 0.94 H new ATOM 0 HD1 TYR A 59 -13.244 7.530 7.196 1.00 0.91 H new ATOM 0 HD2 TYR A 59 -15.741 4.999 4.850 1.00 0.87 H new ATOM 0 HE1 TYR A 59 -12.879 5.697 8.787 1.00 0.91 H new ATOM 0 HE2 TYR A 59 -15.380 3.165 6.441 1.00 0.88 H new ATOM 0 HH TYR A 59 -13.764 3.666 9.500 1.00 0.93 H new ATOM 948 N ASN A 60 -16.224 10.358 3.840 1.00 0.98 N ATOM 949 CA ASN A 60 -16.074 11.526 2.972 1.00 1.03 C ATOM 950 C ASN A 60 -14.985 11.260 1.943 1.00 1.00 C ATOM 951 O ASN A 60 -14.057 12.049 1.767 1.00 1.07 O ATOM 952 CB ASN A 60 -15.759 12.792 3.779 1.00 1.14 C ATOM 953 CG ASN A 60 -15.879 14.060 2.951 1.00 1.17 C ATOM 954 OD1 ASN A 60 -16.923 14.149 2.142 1.00 1.43 O flip ATOM 955 ND2 ASN A 60 -15.051 14.965 3.061 1.00 1.27 N flip ATOM 0 H ASN A 60 -17.131 9.898 3.761 1.00 0.98 H new ATOM 0 HA ASN A 60 -17.021 11.697 2.459 1.00 1.03 H new ATOM 0 HB2 ASN A 60 -16.437 12.853 4.630 1.00 1.14 H new ATOM 0 HB3 ASN A 60 -14.748 12.720 4.181 1.00 1.14 H new ATOM 0 HD21 ASN A 60 -14.260 14.858 3.696 1.00 1.27 H new ATOM 0 HD22 ASN A 60 -15.156 15.822 2.517 1.00 1.27 H new ATOM 962 N ILE A 61 -15.104 10.122 1.280 1.00 0.92 N ATOM 963 CA ILE A 61 -14.144 9.717 0.271 1.00 0.90 C ATOM 964 C ILE A 61 -14.357 10.501 -1.022 1.00 0.96 C ATOM 965 O ILE A 61 -15.476 10.594 -1.529 1.00 1.00 O ATOM 966 CB ILE A 61 -14.235 8.195 0.002 1.00 0.82 C ATOM 967 CG1 ILE A 61 -13.870 7.422 1.271 1.00 0.81 C ATOM 968 CG2 ILE A 61 -13.330 7.792 -1.151 1.00 0.83 C ATOM 969 CD1 ILE A 61 -14.039 5.921 1.150 1.00 0.77 C ATOM 0 H ILE A 61 -15.864 9.458 1.426 1.00 0.92 H new ATOM 0 HA ILE A 61 -13.145 9.938 0.648 1.00 0.90 H new ATOM 0 HB ILE A 61 -15.260 7.951 -0.279 1.00 0.82 H new ATOM 0 HG12 ILE A 61 -12.834 7.641 1.532 1.00 0.81 H new ATOM 0 HG13 ILE A 61 -14.488 7.782 2.093 1.00 0.81 H new ATOM 0 HG21 ILE A 61 -13.412 6.718 -1.320 1.00 0.83 H new ATOM 0 HG22 ILE A 61 -13.630 8.325 -2.053 1.00 0.83 H new ATOM 0 HG23 ILE A 61 -12.298 8.043 -0.908 1.00 0.83 H new ATOM 0 HD11 ILE A 61 -13.760 5.446 2.091 1.00 0.77 H new ATOM 0 HD12 ILE A 61 -15.079 5.689 0.921 1.00 0.77 H new ATOM 0 HD13 ILE A 61 -13.400 5.546 0.351 1.00 0.77 H new ATOM 981 N GLN A 62 -13.277 11.086 -1.526 1.00 1.01 N ATOM 982 CA GLN A 62 -13.322 11.862 -2.758 1.00 1.09 C ATOM 983 C GLN A 62 -13.527 10.945 -3.958 1.00 1.01 C ATOM 984 O GLN A 62 -13.098 9.790 -3.943 1.00 0.95 O ATOM 985 CB GLN A 62 -12.028 12.658 -2.928 1.00 1.21 C ATOM 986 CG GLN A 62 -11.786 13.675 -1.823 1.00 1.47 C ATOM 987 CD GLN A 62 -12.834 14.768 -1.796 1.00 1.79 C ATOM 988 OE1 GLN A 62 -13.834 14.678 -1.080 1.00 2.18 O ATOM 989 NE2 GLN A 62 -12.611 15.809 -2.578 1.00 2.18 N ATOM 0 H GLN A 62 -12.353 11.036 -1.096 1.00 1.01 H new ATOM 0 HA GLN A 62 -14.161 12.555 -2.698 1.00 1.09 H new ATOM 0 HB2 GLN A 62 -11.187 11.965 -2.962 1.00 1.21 H new ATOM 0 HB3 GLN A 62 -12.054 13.176 -3.887 1.00 1.21 H new ATOM 0 HG2 GLN A 62 -11.775 13.164 -0.860 1.00 1.47 H new ATOM 0 HG3 GLN A 62 -10.802 14.124 -1.957 1.00 1.47 H new ATOM 0 HE21 GLN A 62 -11.770 15.843 -3.155 1.00 2.18 H new ATOM 0 HE22 GLN A 62 -13.280 16.579 -2.605 1.00 2.18 H new ATOM 998 N LYS A 63 -14.170 11.461 -4.993 1.00 1.04 N ATOM 999 CA LYS A 63 -14.428 10.668 -6.187 1.00 1.05 C ATOM 1000 C LYS A 63 -13.129 10.334 -6.923 1.00 0.99 C ATOM 1001 O LYS A 63 -12.257 11.192 -7.088 1.00 1.00 O ATOM 1002 CB LYS A 63 -15.405 11.390 -7.128 1.00 1.19 C ATOM 1003 CG LYS A 63 -14.873 12.690 -7.716 1.00 1.25 C ATOM 1004 CD LYS A 63 -15.727 13.156 -8.886 1.00 1.54 C ATOM 1005 CE LYS A 63 -15.096 14.328 -9.624 1.00 1.61 C ATOM 1006 NZ LYS A 63 -15.278 15.609 -8.891 1.00 2.42 N ATOM 0 H LYS A 63 -14.521 12.418 -5.032 1.00 1.04 H new ATOM 0 HA LYS A 63 -14.887 9.733 -5.866 1.00 1.05 H new ATOM 0 HB2 LYS A 63 -15.667 10.717 -7.945 1.00 1.19 H new ATOM 0 HB3 LYS A 63 -16.325 11.602 -6.583 1.00 1.19 H new ATOM 0 HG2 LYS A 63 -14.856 13.461 -6.945 1.00 1.25 H new ATOM 0 HG3 LYS A 63 -13.844 12.548 -8.047 1.00 1.25 H new ATOM 0 HD2 LYS A 63 -15.874 12.328 -9.580 1.00 1.54 H new ATOM 0 HD3 LYS A 63 -16.713 13.446 -8.522 1.00 1.54 H new ATOM 0 HE2 LYS A 63 -14.032 14.138 -9.764 1.00 1.61 H new ATOM 0 HE3 LYS A 63 -15.538 14.412 -10.617 1.00 1.61 H new ATOM 0 HZ1 LYS A 63 -14.834 16.382 -9.427 1.00 2.42 H new ATOM 0 HZ2 LYS A 63 -16.293 15.804 -8.779 1.00 2.42 H new ATOM 0 HZ3 LYS A 63 -14.834 15.538 -7.953 1.00 2.42 H new ATOM 1020 N GLU A 64 -13.009 9.071 -7.338 1.00 1.01 N ATOM 1021 CA GLU A 64 -11.841 8.584 -8.076 1.00 1.02 C ATOM 1022 C GLU A 64 -10.557 8.717 -7.260 1.00 0.93 C ATOM 1023 O GLU A 64 -9.492 9.013 -7.806 1.00 1.02 O ATOM 1024 CB GLU A 64 -11.701 9.333 -9.405 1.00 1.16 C ATOM 1025 CG GLU A 64 -12.886 9.148 -10.339 1.00 1.41 C ATOM 1026 CD GLU A 64 -12.969 10.231 -11.394 1.00 1.38 C ATOM 1027 OE1 GLU A 64 -12.171 10.195 -12.359 1.00 1.50 O ATOM 1028 OE2 GLU A 64 -13.828 11.127 -11.263 1.00 2.13 O ATOM 0 H GLU A 64 -13.718 8.357 -7.172 1.00 1.01 H new ATOM 0 HA GLU A 64 -11.998 7.524 -8.275 1.00 1.02 H new ATOM 0 HB2 GLU A 64 -11.573 10.396 -9.201 1.00 1.16 H new ATOM 0 HB3 GLU A 64 -10.796 8.994 -9.909 1.00 1.16 H new ATOM 0 HG2 GLU A 64 -12.812 8.176 -10.826 1.00 1.41 H new ATOM 0 HG3 GLU A 64 -13.807 9.143 -9.756 1.00 1.41 H new ATOM 1035 N SER A 65 -10.657 8.488 -5.961 1.00 0.88 N ATOM 1036 CA SER A 65 -9.498 8.573 -5.092 1.00 0.92 C ATOM 1037 C SER A 65 -8.696 7.276 -5.147 1.00 0.80 C ATOM 1038 O SER A 65 -9.190 6.246 -5.621 1.00 0.74 O ATOM 1039 CB SER A 65 -9.940 8.869 -3.662 1.00 1.08 C ATOM 1040 OG SER A 65 -11.116 8.148 -3.337 1.00 1.07 O ATOM 0 H SER A 65 -11.526 8.243 -5.487 1.00 0.88 H new ATOM 0 HA SER A 65 -8.858 9.386 -5.436 1.00 0.92 H new ATOM 0 HB2 SER A 65 -9.142 8.603 -2.968 1.00 1.08 H new ATOM 0 HB3 SER A 65 -10.120 9.938 -3.547 1.00 1.08 H new ATOM 0 HG SER A 65 -11.863 8.773 -3.226 1.00 1.07 H new ATOM 1046 N THR A 66 -7.460 7.328 -4.673 1.00 0.82 N ATOM 1047 CA THR A 66 -6.600 6.160 -4.670 1.00 0.77 C ATOM 1048 C THR A 66 -6.537 5.525 -3.285 1.00 0.67 C ATOM 1049 O THR A 66 -6.189 6.178 -2.300 1.00 0.72 O ATOM 1050 CB THR A 66 -5.178 6.524 -5.132 1.00 0.95 C ATOM 1051 OG1 THR A 66 -5.256 7.350 -6.302 1.00 1.11 O ATOM 1052 CG2 THR A 66 -4.363 5.275 -5.439 1.00 1.37 C ATOM 0 H THR A 66 -7.032 8.169 -4.286 1.00 0.82 H new ATOM 0 HA THR A 66 -7.029 5.440 -5.367 1.00 0.77 H new ATOM 0 HB THR A 66 -4.680 7.064 -4.327 1.00 0.95 H new ATOM 0 HG1 THR A 66 -5.455 8.273 -6.038 1.00 1.11 H new ATOM 0 HG21 THR A 66 -3.363 5.564 -5.763 1.00 1.37 H new ATOM 0 HG22 THR A 66 -4.290 4.659 -4.543 1.00 1.37 H new ATOM 0 HG23 THR A 66 -4.851 4.707 -6.231 1.00 1.37 H new ATOM 1060 N LEU A 67 -6.898 4.254 -3.225 1.00 0.60 N ATOM 1061 CA LEU A 67 -6.875 3.494 -1.987 1.00 0.54 C ATOM 1062 C LEU A 67 -5.844 2.383 -2.116 1.00 0.48 C ATOM 1063 O LEU A 67 -5.416 2.057 -3.225 1.00 0.51 O ATOM 1064 CB LEU A 67 -8.259 2.900 -1.681 1.00 0.53 C ATOM 1065 CG LEU A 67 -9.359 3.917 -1.358 1.00 0.60 C ATOM 1066 CD1 LEU A 67 -10.061 4.377 -2.628 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -10.360 3.325 -0.378 1.00 0.77 C ATOM 0 H LEU A 67 -7.215 3.720 -4.034 1.00 0.60 H new ATOM 0 HA LEU A 67 -6.609 4.157 -1.164 1.00 0.54 H new ATOM 0 HB2 LEU A 67 -8.578 2.307 -2.538 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -8.163 2.216 -0.838 1.00 0.53 H new ATOM 0 HG LEU A 67 -8.894 4.787 -0.894 1.00 0.60 H new ATOM 0 HD11 LEU A 67 -10.838 5.098 -2.374 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -9.337 4.844 -3.295 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -10.512 3.519 -3.126 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -11.134 4.061 -0.160 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -10.816 2.437 -0.816 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -9.848 3.052 0.545 1.00 0.77 H new ATOM 1079 N HIS A 68 -5.441 1.795 -1.004 1.00 0.49 N ATOM 1080 CA HIS A 68 -4.449 0.733 -1.049 1.00 0.49 C ATOM 1081 C HIS A 68 -4.907 -0.494 -0.271 1.00 0.46 C ATOM 1082 O HIS A 68 -5.362 -0.391 0.870 1.00 0.50 O ATOM 1083 CB HIS A 68 -3.110 1.231 -0.503 1.00 0.61 C ATOM 1084 CG HIS A 68 -1.980 0.275 -0.738 1.00 1.03 C ATOM 1085 ND1 HIS A 68 -1.598 -0.675 0.181 1.00 1.45 N ATOM 1086 CD2 HIS A 68 -1.161 0.116 -1.804 1.00 1.62 C ATOM 1087 CE1 HIS A 68 -0.596 -1.380 -0.308 1.00 2.01 C ATOM 1088 NE2 HIS A 68 -0.309 -0.923 -1.514 1.00 2.11 N ATOM 0 H HIS A 68 -5.779 2.029 -0.071 1.00 0.49 H new ATOM 0 HA HIS A 68 -4.324 0.442 -2.092 1.00 0.49 H new ATOM 0 HB2 HIS A 68 -2.870 2.187 -0.967 1.00 0.61 H new ATOM 0 HB3 HIS A 68 -3.207 1.412 0.568 1.00 0.61 H new ATOM 0 HD2 HIS A 68 -1.174 0.698 -2.714 1.00 1.62 H new ATOM 0 HE1 HIS A 68 -0.094 -2.194 0.193 1.00 2.01 H new ATOM 0 HE2 HIS A 68 0.423 -1.281 -2.128 1.00 2.11 H new ATOM 1097 N LEU A 69 -4.779 -1.651 -0.902 1.00 0.44 N ATOM 1098 CA LEU A 69 -5.150 -2.912 -0.282 1.00 0.44 C ATOM 1099 C LEU A 69 -3.908 -3.582 0.291 1.00 0.49 C ATOM 1100 O LEU A 69 -2.918 -3.790 -0.418 1.00 0.52 O ATOM 1101 CB LEU A 69 -5.831 -3.832 -1.307 1.00 0.48 C ATOM 1102 CG LEU A 69 -6.176 -5.238 -0.808 1.00 0.57 C ATOM 1103 CD1 LEU A 69 -7.204 -5.172 0.307 1.00 0.57 C ATOM 1104 CD2 LEU A 69 -6.691 -6.097 -1.954 1.00 0.64 C ATOM 0 H LEU A 69 -4.418 -1.742 -1.852 1.00 0.44 H new ATOM 0 HA LEU A 69 -5.856 -2.720 0.526 1.00 0.44 H new ATOM 0 HB2 LEU A 69 -6.748 -3.351 -1.647 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.179 -3.924 -2.176 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.268 -5.694 -0.413 1.00 0.57 H new ATOM 0 HD11 LEU A 69 -7.436 -6.181 0.648 1.00 0.57 H new ATOM 0 HD12 LEU A 69 -6.803 -4.591 1.138 1.00 0.57 H new ATOM 0 HD13 LEU A 69 -8.112 -4.696 -0.063 1.00 0.57 H new ATOM 0 HD21 LEU A 69 -6.932 -7.093 -1.582 1.00 0.64 H new ATOM 0 HD22 LEU A 69 -7.586 -5.641 -2.376 1.00 0.64 H new ATOM 0 HD23 LEU A 69 -5.924 -6.173 -2.725 1.00 0.64 H new ATOM 1116 N VAL A 70 -3.948 -3.886 1.576 1.00 0.56 N ATOM 1117 CA VAL A 70 -2.829 -4.526 2.246 1.00 0.66 C ATOM 1118 C VAL A 70 -3.237 -5.913 2.724 1.00 0.74 C ATOM 1119 O VAL A 70 -4.418 -6.175 2.943 1.00 0.92 O ATOM 1120 CB VAL A 70 -2.345 -3.690 3.458 1.00 0.71 C ATOM 1121 CG1 VAL A 70 -0.977 -4.154 3.935 1.00 0.99 C ATOM 1122 CG2 VAL A 70 -2.307 -2.208 3.117 1.00 0.97 C ATOM 0 H VAL A 70 -4.748 -3.699 2.180 1.00 0.56 H new ATOM 0 HA VAL A 70 -2.011 -4.604 1.530 1.00 0.66 H new ATOM 0 HB VAL A 70 -3.060 -3.842 4.267 1.00 0.71 H new ATOM 0 HG11 VAL A 70 -0.664 -3.549 4.786 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -1.032 -5.201 4.234 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -0.254 -4.045 3.127 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -1.964 -1.644 3.984 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -1.624 -2.044 2.284 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -3.306 -1.873 2.838 1.00 0.97 H new ATOM 1132 N LEU A 71 -2.269 -6.806 2.855 1.00 0.77 N ATOM 1133 CA LEU A 71 -2.544 -8.152 3.329 1.00 0.87 C ATOM 1134 C LEU A 71 -2.763 -8.119 4.834 1.00 0.90 C ATOM 1135 O LEU A 71 -2.351 -7.163 5.502 1.00 1.01 O ATOM 1136 CB LEU A 71 -1.391 -9.099 2.978 1.00 0.95 C ATOM 1137 CG LEU A 71 -1.628 -9.986 1.753 1.00 1.05 C ATOM 1138 CD1 LEU A 71 -1.796 -9.147 0.491 1.00 1.26 C ATOM 1139 CD2 LEU A 71 -0.485 -10.972 1.587 1.00 1.52 C ATOM 0 H LEU A 71 -1.289 -6.623 2.640 1.00 0.77 H new ATOM 0 HA LEU A 71 -3.444 -8.524 2.839 1.00 0.87 H new ATOM 0 HB2 LEU A 71 -0.493 -8.505 2.809 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -1.193 -9.739 3.838 1.00 0.95 H new ATOM 0 HG LEU A 71 -2.552 -10.543 1.911 1.00 1.05 H new ATOM 0 HD11 LEU A 71 -1.963 -9.804 -0.363 1.00 1.26 H new ATOM 0 HD12 LEU A 71 -2.650 -8.480 0.608 1.00 1.26 H new ATOM 0 HD13 LEU A 71 -0.895 -8.557 0.324 1.00 1.26 H new ATOM 0 HD21 LEU A 71 -0.667 -11.596 0.712 1.00 1.52 H new ATOM 0 HD22 LEU A 71 0.450 -10.427 1.456 1.00 1.52 H new ATOM 0 HD23 LEU A 71 -0.416 -11.602 2.474 1.00 1.52 H new ATOM 1151 N ARG A 72 -3.411 -9.146 5.366 1.00 0.98 N ATOM 1152 CA ARG A 72 -3.684 -9.219 6.800 1.00 1.06 C ATOM 1153 C ARG A 72 -2.382 -9.237 7.598 1.00 0.98 C ATOM 1154 O ARG A 72 -1.334 -9.635 7.091 1.00 0.98 O ATOM 1155 CB ARG A 72 -4.527 -10.459 7.127 1.00 1.26 C ATOM 1156 CG ARG A 72 -3.757 -11.770 7.064 1.00 1.27 C ATOM 1157 CD ARG A 72 -4.649 -12.954 7.398 1.00 1.51 C ATOM 1158 NE ARG A 72 -3.876 -14.158 7.709 1.00 1.92 N ATOM 1159 CZ ARG A 72 -4.166 -15.377 7.249 1.00 2.21 C ATOM 1160 NH1 ARG A 72 -5.185 -15.559 6.418 1.00 2.37 N ATOM 1161 NH2 ARG A 72 -3.431 -16.417 7.625 1.00 2.72 N ATOM 0 H ARG A 72 -3.758 -9.941 4.829 1.00 0.98 H new ATOM 0 HA ARG A 72 -4.249 -8.331 7.083 1.00 1.06 H new ATOM 0 HB2 ARG A 72 -4.948 -10.345 8.126 1.00 1.26 H new ATOM 0 HB3 ARG A 72 -5.365 -10.509 6.432 1.00 1.26 H new ATOM 0 HG2 ARG A 72 -3.337 -11.899 6.067 1.00 1.27 H new ATOM 0 HG3 ARG A 72 -2.920 -11.736 7.761 1.00 1.27 H new ATOM 0 HD2 ARG A 72 -5.282 -12.701 8.248 1.00 1.51 H new ATOM 0 HD3 ARG A 72 -5.311 -13.157 6.556 1.00 1.51 H new ATOM 0 HE ARG A 72 -3.063 -14.059 8.317 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -5.753 -14.764 6.126 1.00 2.37 H new ATOM 0 HH12 ARG A 72 -5.400 -16.494 6.071 1.00 2.37 H new ATOM 0 HH21 ARG A 72 -2.647 -16.283 8.264 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -3.650 -17.350 7.275 1.00 2.72 H new ATOM 1175 N LEU A 73 -2.448 -8.781 8.837 1.00 1.04 N ATOM 1176 CA LEU A 73 -1.273 -8.754 9.692 1.00 1.05 C ATOM 1177 C LEU A 73 -1.198 -10.035 10.511 1.00 1.17 C ATOM 1178 O LEU A 73 -0.111 -10.532 10.811 1.00 1.27 O ATOM 1179 CB LEU A 73 -1.307 -7.533 10.619 1.00 1.16 C ATOM 1180 CG LEU A 73 -0.026 -7.296 11.424 1.00 1.25 C ATOM 1181 CD1 LEU A 73 1.147 -7.019 10.498 1.00 1.23 C ATOM 1182 CD2 LEU A 73 -0.217 -6.149 12.398 1.00 1.44 C ATOM 0 H LEU A 73 -3.299 -8.426 9.273 1.00 1.04 H new ATOM 0 HA LEU A 73 -0.386 -8.682 9.063 1.00 1.05 H new ATOM 0 HB2 LEU A 73 -1.511 -6.646 10.019 1.00 1.16 H new ATOM 0 HB3 LEU A 73 -2.139 -7.646 11.314 1.00 1.16 H new ATOM 0 HG LEU A 73 0.194 -8.200 11.992 1.00 1.25 H new ATOM 0 HD11 LEU A 73 2.047 -6.853 11.090 1.00 1.23 H new ATOM 0 HD12 LEU A 73 1.299 -7.873 9.838 1.00 1.23 H new ATOM 0 HD13 LEU A 73 0.937 -6.132 9.901 1.00 1.23 H new ATOM 0 HD21 LEU A 73 0.703 -5.994 12.962 1.00 1.44 H new ATOM 0 HD22 LEU A 73 -0.462 -5.241 11.847 1.00 1.44 H new ATOM 0 HD23 LEU A 73 -1.029 -6.387 13.086 1.00 1.44 H new ATOM 1194 N ARG A 74 -2.363 -10.566 10.860 1.00 1.29 N ATOM 1195 CA ARG A 74 -2.455 -11.791 11.640 1.00 1.48 C ATOM 1196 C ARG A 74 -3.667 -12.595 11.195 1.00 1.52 C ATOM 1197 O ARG A 74 -4.542 -12.068 10.507 1.00 1.42 O ATOM 1198 CB ARG A 74 -2.565 -11.473 13.134 1.00 1.65 C ATOM 1199 CG ARG A 74 -1.258 -11.020 13.757 1.00 1.66 C ATOM 1200 CD ARG A 74 -1.408 -10.755 15.241 1.00 1.87 C ATOM 1201 NE ARG A 74 -0.121 -10.477 15.867 1.00 2.02 N ATOM 1202 CZ ARG A 74 0.201 -10.853 17.099 1.00 2.49 C ATOM 1203 NH1 ARG A 74 -0.692 -11.480 17.861 1.00 3.05 N ATOM 1204 NH2 ARG A 74 1.418 -10.599 17.567 1.00 2.67 N ATOM 0 H ARG A 74 -3.266 -10.161 10.611 1.00 1.29 H new ATOM 0 HA ARG A 74 -1.550 -12.376 11.475 1.00 1.48 H new ATOM 0 HB2 ARG A 74 -3.315 -10.695 13.277 1.00 1.65 H new ATOM 0 HB3 ARG A 74 -2.921 -12.359 13.660 1.00 1.65 H new ATOM 0 HG2 ARG A 74 -0.496 -11.783 13.599 1.00 1.66 H new ATOM 0 HG3 ARG A 74 -0.912 -10.115 13.259 1.00 1.66 H new ATOM 0 HD2 ARG A 74 -2.079 -9.910 15.395 1.00 1.87 H new ATOM 0 HD3 ARG A 74 -1.868 -11.619 15.721 1.00 1.87 H new ATOM 0 HE ARG A 74 0.574 -9.963 15.326 1.00 2.02 H new ATOM 0 HH11 ARG A 74 -1.626 -11.673 17.499 1.00 3.05 H new ATOM 0 HH12 ARG A 74 -0.442 -11.768 18.807 1.00 3.05 H new ATOM 0 HH21 ARG A 74 2.100 -10.117 16.981 1.00 2.67 H new ATOM 0 HH22 ARG A 74 1.671 -10.886 18.513 1.00 2.67 H new ATOM 1319 N GLY B 55 22.008 -0.969 -11.124 1.00 1.77 N ATOM 1320 CA GLY B 55 20.751 -0.300 -11.369 1.00 1.76 C ATOM 1321 C GLY B 55 20.368 0.628 -10.237 1.00 1.40 C ATOM 1322 O GLY B 55 19.379 0.398 -9.545 1.00 1.29 O ATOM 0 HA2 GLY B 55 20.819 0.269 -12.296 1.00 1.76 H new ATOM 0 HA3 GLY B 55 19.966 -1.044 -11.508 1.00 1.76 H new ATOM 1326 N LYS B 56 21.157 1.672 -10.034 1.00 1.43 N ATOM 1327 CA LYS B 56 20.883 2.639 -8.982 1.00 1.15 C ATOM 1328 C LYS B 56 19.904 3.693 -9.488 1.00 1.13 C ATOM 1329 O LYS B 56 20.186 4.404 -10.455 1.00 1.19 O ATOM 1330 CB LYS B 56 22.179 3.301 -8.508 1.00 1.16 C ATOM 1331 CG LYS B 56 22.898 2.531 -7.411 1.00 1.14 C ATOM 1332 CD LYS B 56 22.358 2.879 -6.032 1.00 1.03 C ATOM 1333 CE LYS B 56 23.227 2.298 -4.926 1.00 1.13 C ATOM 1334 NZ LYS B 56 23.017 0.837 -4.754 1.00 1.04 N ATOM 0 H LYS B 56 21.993 1.871 -10.584 1.00 1.43 H new ATOM 0 HA LYS B 56 20.436 2.117 -8.135 1.00 1.15 H new ATOM 0 HB2 LYS B 56 22.850 3.414 -9.359 1.00 1.16 H new ATOM 0 HB3 LYS B 56 21.952 4.304 -8.146 1.00 1.16 H new ATOM 0 HG2 LYS B 56 22.788 1.461 -7.585 1.00 1.14 H new ATOM 0 HG3 LYS B 56 23.965 2.752 -7.450 1.00 1.14 H new ATOM 0 HD2 LYS B 56 22.307 3.962 -5.924 1.00 1.03 H new ATOM 0 HD3 LYS B 56 21.341 2.500 -5.933 1.00 1.03 H new ATOM 0 HE2 LYS B 56 24.276 2.488 -5.153 1.00 1.13 H new ATOM 0 HE3 LYS B 56 23.007 2.808 -3.988 1.00 1.13 H new ATOM 0 HZ1 LYS B 56 23.808 0.434 -4.213 1.00 1.04 H new ATOM 0 HZ2 LYS B 56 22.127 0.672 -4.241 1.00 1.04 H new ATOM 0 HZ3 LYS B 56 22.968 0.381 -5.687 1.00 1.04 H new ATOM 1348 N VAL B 57 18.749 3.775 -8.850 1.00 1.12 N ATOM 1349 CA VAL B 57 17.731 4.738 -9.244 1.00 1.13 C ATOM 1350 C VAL B 57 17.863 6.015 -8.426 1.00 1.07 C ATOM 1351 O VAL B 57 17.976 5.971 -7.199 1.00 0.99 O ATOM 1352 CB VAL B 57 16.304 4.173 -9.084 1.00 1.11 C ATOM 1353 CG1 VAL B 57 15.309 5.003 -9.888 1.00 1.23 C ATOM 1354 CG2 VAL B 57 16.250 2.710 -9.504 1.00 1.15 C ATOM 0 H VAL B 57 18.491 3.187 -8.057 1.00 1.12 H new ATOM 0 HA VAL B 57 17.892 4.957 -10.300 1.00 1.13 H new ATOM 0 HB VAL B 57 16.029 4.231 -8.031 1.00 1.11 H new ATOM 0 HG11 VAL B 57 14.308 4.591 -9.764 1.00 1.23 H new ATOM 0 HG12 VAL B 57 15.324 6.033 -9.533 1.00 1.23 H new ATOM 0 HG13 VAL B 57 15.583 4.979 -10.943 1.00 1.23 H new ATOM 0 HG21 VAL B 57 15.234 2.334 -9.382 1.00 1.15 H new ATOM 0 HG22 VAL B 57 16.548 2.620 -10.549 1.00 1.15 H new ATOM 0 HG23 VAL B 57 16.930 2.128 -8.882 1.00 1.15 H new ATOM 1364 N LEU B 58 17.857 7.150 -9.111 1.00 1.14 N ATOM 1365 CA LEU B 58 17.986 8.440 -8.453 1.00 1.13 C ATOM 1366 C LEU B 58 16.624 9.001 -8.061 1.00 1.12 C ATOM 1367 O LEU B 58 15.874 9.494 -8.905 1.00 1.20 O ATOM 1368 CB LEU B 58 18.715 9.428 -9.371 1.00 1.28 C ATOM 1369 CG LEU B 58 18.832 10.857 -8.834 1.00 1.36 C ATOM 1370 CD1 LEU B 58 19.862 10.926 -7.719 1.00 1.29 C ATOM 1371 CD2 LEU B 58 19.195 11.819 -9.954 1.00 1.76 C ATOM 0 H LEU B 58 17.764 7.202 -10.125 1.00 1.14 H new ATOM 0 HA LEU B 58 18.567 8.296 -7.542 1.00 1.13 H new ATOM 0 HB2 LEU B 58 19.718 9.047 -9.564 1.00 1.28 H new ATOM 0 HB3 LEU B 58 18.196 9.459 -10.329 1.00 1.28 H new ATOM 0 HG LEU B 58 17.865 11.151 -8.427 1.00 1.36 H new ATOM 0 HD11 LEU B 58 19.931 11.949 -7.350 1.00 1.29 H new ATOM 0 HD12 LEU B 58 19.562 10.266 -6.905 1.00 1.29 H new ATOM 0 HD13 LEU B 58 20.833 10.612 -8.101 1.00 1.29 H new ATOM 0 HD21 LEU B 58 19.274 12.830 -9.554 1.00 1.76 H new ATOM 0 HD22 LEU B 58 20.150 11.526 -10.390 1.00 1.76 H new ATOM 0 HD23 LEU B 58 18.422 11.792 -10.722 1.00 1.76 H new ATOM 1383 N TYR B 59 16.302 8.912 -6.785 1.00 1.06 N ATOM 1384 CA TYR B 59 15.047 9.437 -6.282 1.00 1.06 C ATOM 1385 C TYR B 59 15.312 10.824 -5.705 1.00 1.09 C ATOM 1386 O TYR B 59 16.106 10.972 -4.774 1.00 1.06 O ATOM 1387 CB TYR B 59 14.425 8.462 -5.252 1.00 0.97 C ATOM 1388 CG TYR B 59 14.308 8.978 -3.829 1.00 0.89 C ATOM 1389 CD1 TYR B 59 13.175 9.661 -3.404 1.00 1.03 C ATOM 1390 CD2 TYR B 59 15.329 8.769 -2.907 1.00 1.03 C ATOM 1391 CE1 TYR B 59 13.065 10.129 -2.108 1.00 1.27 C ATOM 1392 CE2 TYR B 59 15.226 9.234 -1.608 1.00 1.28 C ATOM 1393 CZ TYR B 59 14.091 9.910 -1.214 1.00 1.38 C ATOM 1394 OH TYR B 59 13.982 10.371 0.079 1.00 1.77 O ATOM 0 H TYR B 59 16.894 8.480 -6.076 1.00 1.06 H new ATOM 0 HA TYR B 59 14.314 9.532 -7.083 1.00 1.06 H new ATOM 0 HB2 TYR B 59 13.430 8.185 -5.599 1.00 0.97 H new ATOM 0 HB3 TYR B 59 15.023 7.551 -5.238 1.00 0.97 H new ATOM 0 HD1 TYR B 59 12.366 9.829 -4.099 1.00 1.03 H new ATOM 0 HD2 TYR B 59 16.217 8.235 -3.211 1.00 1.03 H new ATOM 0 HE1 TYR B 59 12.179 10.664 -1.797 1.00 1.27 H new ATOM 0 HE2 TYR B 59 16.030 9.068 -0.907 1.00 1.28 H new ATOM 0 HH TYR B 59 14.790 10.133 0.580 1.00 1.77 H new ATOM 1404 N GLU B 60 14.692 11.838 -6.311 1.00 1.18 N ATOM 1405 CA GLU B 60 14.863 13.233 -5.897 1.00 1.24 C ATOM 1406 C GLU B 60 16.321 13.674 -6.075 1.00 1.34 C ATOM 1407 O GLU B 60 16.675 14.295 -7.081 1.00 1.90 O ATOM 1408 CB GLU B 60 14.410 13.429 -4.445 1.00 1.13 C ATOM 1409 CG GLU B 60 12.950 13.081 -4.216 1.00 1.09 C ATOM 1410 CD GLU B 60 12.018 13.924 -5.055 1.00 1.49 C ATOM 1411 OE1 GLU B 60 11.701 13.515 -6.190 1.00 1.66 O ATOM 1412 OE2 GLU B 60 11.603 15.003 -4.585 1.00 2.02 O ATOM 0 H GLU B 60 14.058 11.717 -7.101 1.00 1.18 H new ATOM 0 HA GLU B 60 14.237 13.857 -6.534 1.00 1.24 H new ATOM 0 HB2 GLU B 60 15.029 12.813 -3.793 1.00 1.13 H new ATOM 0 HB3 GLU B 60 14.578 14.467 -4.157 1.00 1.13 H new ATOM 0 HG2 GLU B 60 12.790 12.028 -4.447 1.00 1.09 H new ATOM 0 HG3 GLU B 60 12.708 13.216 -3.162 1.00 1.09 H new ATOM 1419 N GLY B 61 17.154 13.338 -5.100 1.00 1.27 N ATOM 1420 CA GLY B 61 18.560 13.671 -5.151 1.00 1.32 C ATOM 1421 C GLY B 61 19.403 12.626 -4.448 1.00 1.22 C ATOM 1422 O GLY B 61 20.515 12.906 -3.994 1.00 1.33 O ATOM 0 H GLY B 61 16.872 12.831 -4.261 1.00 1.27 H new ATOM 0 HA2 GLY B 61 18.877 13.757 -6.190 1.00 1.32 H new ATOM 0 HA3 GLY B 61 18.722 14.644 -4.686 1.00 1.32 H new ATOM 1426 N LYS B 62 18.863 11.415 -4.352 1.00 1.08 N ATOM 1427 CA LYS B 62 19.553 10.312 -3.697 1.00 1.02 C ATOM 1428 C LYS B 62 19.413 9.031 -4.514 1.00 1.00 C ATOM 1429 O LYS B 62 18.317 8.681 -4.945 1.00 1.00 O ATOM 1430 CB LYS B 62 18.981 10.101 -2.292 1.00 0.92 C ATOM 1431 CG LYS B 62 19.804 9.164 -1.423 1.00 0.90 C ATOM 1432 CD LYS B 62 19.261 9.090 -0.004 1.00 0.94 C ATOM 1433 CE LYS B 62 19.220 10.460 0.657 1.00 1.30 C ATOM 1434 NZ LYS B 62 18.961 10.371 2.120 1.00 1.59 N ATOM 0 H LYS B 62 17.944 11.173 -4.722 1.00 1.08 H new ATOM 0 HA LYS B 62 20.612 10.560 -3.621 1.00 1.02 H new ATOM 0 HB2 LYS B 62 18.903 11.067 -1.794 1.00 0.92 H new ATOM 0 HB3 LYS B 62 17.969 9.705 -2.379 1.00 0.92 H new ATOM 0 HG2 LYS B 62 19.807 8.167 -1.864 1.00 0.90 H new ATOM 0 HG3 LYS B 62 20.839 9.505 -1.399 1.00 0.90 H new ATOM 0 HD2 LYS B 62 18.258 8.664 -0.020 1.00 0.94 H new ATOM 0 HD3 LYS B 62 19.883 8.419 0.589 1.00 0.94 H new ATOM 0 HE2 LYS B 62 20.168 10.972 0.488 1.00 1.30 H new ATOM 0 HE3 LYS B 62 18.443 11.065 0.188 1.00 1.30 H new ATOM 0 HZ1 LYS B 62 18.942 11.327 2.528 1.00 1.59 H new ATOM 0 HZ2 LYS B 62 18.045 9.907 2.283 1.00 1.59 H new ATOM 0 HZ3 LYS B 62 19.715 9.817 2.573 1.00 1.59 H new ATOM 1448 N GLU B 63 20.524 8.343 -4.731 1.00 1.03 N ATOM 1449 CA GLU B 63 20.519 7.099 -5.495 1.00 1.06 C ATOM 1450 C GLU B 63 20.338 5.908 -4.564 1.00 0.95 C ATOM 1451 O GLU B 63 21.074 5.761 -3.587 1.00 0.93 O ATOM 1452 CB GLU B 63 21.824 6.935 -6.283 1.00 1.22 C ATOM 1453 CG GLU B 63 22.207 8.147 -7.114 1.00 1.48 C ATOM 1454 CD GLU B 63 23.154 9.079 -6.383 1.00 1.64 C ATOM 1455 OE1 GLU B 63 23.779 8.643 -5.393 1.00 1.90 O ATOM 1456 OE2 GLU B 63 23.278 10.252 -6.791 1.00 2.14 O ATOM 0 H GLU B 63 21.443 8.624 -4.389 1.00 1.03 H new ATOM 0 HA GLU B 63 19.687 7.141 -6.197 1.00 1.06 H new ATOM 0 HB2 GLU B 63 22.632 6.718 -5.584 1.00 1.22 H new ATOM 0 HB3 GLU B 63 21.731 6.072 -6.942 1.00 1.22 H new ATOM 0 HG2 GLU B 63 22.674 7.815 -8.041 1.00 1.48 H new ATOM 0 HG3 GLU B 63 21.305 8.694 -7.389 1.00 1.48 H new ATOM 1463 N PHE B 64 19.365 5.059 -4.871 1.00 0.93 N ATOM 1464 CA PHE B 64 19.098 3.882 -4.054 1.00 0.85 C ATOM 1465 C PHE B 64 18.914 2.643 -4.921 1.00 0.91 C ATOM 1466 O PHE B 64 18.878 2.738 -6.150 1.00 1.02 O ATOM 1467 CB PHE B 64 17.864 4.105 -3.180 1.00 0.74 C ATOM 1468 CG PHE B 64 18.183 4.214 -1.714 1.00 0.71 C ATOM 1469 CD1 PHE B 64 18.558 5.427 -1.160 1.00 0.79 C ATOM 1470 CD2 PHE B 64 18.109 3.101 -0.893 1.00 0.65 C ATOM 1471 CE1 PHE B 64 18.847 5.527 0.187 1.00 0.82 C ATOM 1472 CE2 PHE B 64 18.397 3.197 0.455 1.00 0.68 C ATOM 1473 CZ PHE B 64 18.769 4.412 0.994 1.00 0.77 C ATOM 0 H PHE B 64 18.749 5.163 -5.678 1.00 0.93 H new ATOM 0 HA PHE B 64 19.961 3.720 -3.408 1.00 0.85 H new ATOM 0 HB2 PHE B 64 17.359 5.015 -3.503 1.00 0.74 H new ATOM 0 HB3 PHE B 64 17.166 3.282 -3.332 1.00 0.74 H new ATOM 0 HD1 PHE B 64 18.625 6.303 -1.788 1.00 0.79 H new ATOM 0 HD2 PHE B 64 17.823 2.147 -1.311 1.00 0.65 H new ATOM 0 HE1 PHE B 64 19.134 6.479 0.608 1.00 0.82 H new ATOM 0 HE2 PHE B 64 18.331 2.323 1.086 1.00 0.68 H new ATOM 0 HZ PHE B 64 18.999 4.489 2.046 1.00 0.77 H new ATOM 1483 N ASP B 65 18.808 1.488 -4.273 1.00 0.87 N ATOM 1484 CA ASP B 65 18.634 0.217 -4.971 1.00 0.94 C ATOM 1485 C ASP B 65 17.286 0.172 -5.674 1.00 1.03 C ATOM 1486 O ASP B 65 17.211 0.077 -6.899 1.00 1.18 O ATOM 1487 CB ASP B 65 18.734 -0.963 -3.994 1.00 0.88 C ATOM 1488 CG ASP B 65 20.085 -1.076 -3.315 1.00 0.84 C ATOM 1489 OD1 ASP B 65 20.993 -0.287 -3.645 1.00 1.13 O ATOM 1490 OD2 ASP B 65 20.238 -1.955 -2.438 1.00 1.39 O ATOM 0 H ASP B 65 18.840 1.405 -3.257 1.00 0.87 H new ATOM 0 HA ASP B 65 19.430 0.135 -5.711 1.00 0.94 H new ATOM 0 HB2 ASP B 65 17.961 -0.860 -3.232 1.00 0.88 H new ATOM 0 HB3 ASP B 65 18.529 -1.888 -4.533 1.00 0.88 H new ATOM 1495 N TYR B 66 16.221 0.230 -4.891 1.00 0.99 N ATOM 1496 CA TYR B 66 14.871 0.202 -5.433 1.00 1.12 C ATOM 1497 C TYR B 66 14.056 1.354 -4.868 1.00 0.95 C ATOM 1498 O TYR B 66 14.279 1.781 -3.735 1.00 0.88 O ATOM 1499 CB TYR B 66 14.185 -1.127 -5.109 1.00 1.31 C ATOM 1500 CG TYR B 66 14.802 -2.322 -5.808 1.00 1.57 C ATOM 1501 CD1 TYR B 66 14.545 -2.573 -7.150 1.00 1.79 C ATOM 1502 CD2 TYR B 66 15.643 -3.192 -5.125 1.00 1.64 C ATOM 1503 CE1 TYR B 66 15.105 -3.663 -7.791 1.00 2.05 C ATOM 1504 CE2 TYR B 66 16.208 -4.283 -5.760 1.00 1.89 C ATOM 1505 CZ TYR B 66 15.937 -4.513 -7.093 1.00 2.08 C ATOM 1506 OH TYR B 66 16.496 -5.598 -7.727 1.00 2.34 O ATOM 0 H TYR B 66 16.265 0.297 -3.874 1.00 0.99 H new ATOM 0 HA TYR B 66 14.935 0.306 -6.516 1.00 1.12 H new ATOM 0 HB2 TYR B 66 14.221 -1.290 -4.032 1.00 1.31 H new ATOM 0 HB3 TYR B 66 13.133 -1.059 -5.387 1.00 1.31 H new ATOM 0 HD1 TYR B 66 13.898 -1.907 -7.701 1.00 1.79 H new ATOM 0 HD2 TYR B 66 15.859 -3.013 -4.082 1.00 1.64 H new ATOM 0 HE1 TYR B 66 14.892 -3.848 -8.833 1.00 2.05 H new ATOM 0 HE2 TYR B 66 16.858 -4.952 -5.215 1.00 1.89 H new ATOM 0 HH TYR B 66 17.057 -6.093 -7.094 1.00 2.34 H new ATOM 1516 N VAL B 67 13.123 1.856 -5.660 1.00 0.97 N ATOM 1517 CA VAL B 67 12.271 2.958 -5.234 1.00 0.85 C ATOM 1518 C VAL B 67 10.805 2.626 -5.495 1.00 0.86 C ATOM 1519 O VAL B 67 10.332 2.671 -6.629 1.00 1.09 O ATOM 1520 CB VAL B 67 12.649 4.289 -5.930 1.00 0.87 C ATOM 1521 CG1 VAL B 67 13.877 4.904 -5.276 1.00 0.85 C ATOM 1522 CG2 VAL B 67 12.890 4.080 -7.419 1.00 1.05 C ATOM 0 H VAL B 67 12.935 1.518 -6.604 1.00 0.97 H new ATOM 0 HA VAL B 67 12.426 3.093 -4.163 1.00 0.85 H new ATOM 0 HB VAL B 67 11.811 4.977 -5.816 1.00 0.87 H new ATOM 0 HG11 VAL B 67 14.127 5.838 -5.778 1.00 0.85 H new ATOM 0 HG12 VAL B 67 13.669 5.102 -4.225 1.00 0.85 H new ATOM 0 HG13 VAL B 67 14.716 4.213 -5.356 1.00 0.85 H new ATOM 0 HG21 VAL B 67 13.154 5.031 -7.882 1.00 1.05 H new ATOM 0 HG22 VAL B 67 13.705 3.370 -7.560 1.00 1.05 H new ATOM 0 HG23 VAL B 67 11.984 3.689 -7.883 1.00 1.05 H new ATOM 1532 N PHE B 68 10.094 2.273 -4.439 1.00 0.75 N ATOM 1533 CA PHE B 68 8.689 1.922 -4.562 1.00 0.79 C ATOM 1534 C PHE B 68 7.828 3.170 -4.700 1.00 0.81 C ATOM 1535 O PHE B 68 7.865 4.061 -3.848 1.00 0.77 O ATOM 1536 CB PHE B 68 8.235 1.095 -3.359 1.00 0.78 C ATOM 1537 CG PHE B 68 8.979 -0.205 -3.208 1.00 1.42 C ATOM 1538 CD1 PHE B 68 8.794 -1.235 -4.119 1.00 1.76 C ATOM 1539 CD2 PHE B 68 9.865 -0.394 -2.160 1.00 2.40 C ATOM 1540 CE1 PHE B 68 9.475 -2.430 -3.983 1.00 2.77 C ATOM 1541 CE2 PHE B 68 10.549 -1.586 -2.019 1.00 3.40 C ATOM 1542 CZ PHE B 68 10.355 -2.604 -2.931 1.00 3.53 C ATOM 0 H PHE B 68 10.464 2.222 -3.490 1.00 0.75 H new ATOM 0 HA PHE B 68 8.569 1.321 -5.464 1.00 0.79 H new ATOM 0 HB2 PHE B 68 8.365 1.686 -2.452 1.00 0.78 H new ATOM 0 HB3 PHE B 68 7.169 0.886 -3.453 1.00 0.78 H new ATOM 0 HD1 PHE B 68 8.110 -1.101 -4.944 1.00 1.76 H new ATOM 0 HD2 PHE B 68 10.023 0.400 -1.445 1.00 2.40 H new ATOM 0 HE1 PHE B 68 9.320 -3.226 -4.697 1.00 2.77 H new ATOM 0 HE2 PHE B 68 11.235 -1.721 -1.196 1.00 3.40 H new ATOM 0 HZ PHE B 68 10.890 -3.536 -2.823 1.00 3.53 H new ATOM 1552 N SER B 69 7.075 3.239 -5.788 1.00 0.93 N ATOM 1553 CA SER B 69 6.197 4.370 -6.044 1.00 0.99 C ATOM 1554 C SER B 69 4.877 4.200 -5.299 1.00 1.07 C ATOM 1555 O SER B 69 4.084 3.311 -5.612 1.00 1.23 O ATOM 1556 CB SER B 69 5.952 4.504 -7.546 1.00 1.13 C ATOM 1557 OG SER B 69 7.157 4.303 -8.273 1.00 1.37 O ATOM 0 H SER B 69 7.055 2.520 -6.511 1.00 0.93 H new ATOM 0 HA SER B 69 6.676 5.280 -5.682 1.00 0.99 H new ATOM 0 HB2 SER B 69 5.205 3.777 -7.864 1.00 1.13 H new ATOM 0 HB3 SER B 69 5.549 5.492 -7.767 1.00 1.13 H new ATOM 0 HG SER B 69 6.954 4.232 -9.229 1.00 1.37 H new ATOM 1563 N ILE B 70 4.657 5.043 -4.304 1.00 1.01 N ATOM 1564 CA ILE B 70 3.445 4.982 -3.507 1.00 1.12 C ATOM 1565 C ILE B 70 2.663 6.286 -3.613 1.00 1.08 C ATOM 1566 O ILE B 70 3.244 7.375 -3.641 1.00 1.10 O ATOM 1567 CB ILE B 70 3.766 4.706 -2.021 1.00 1.21 C ATOM 1568 CG1 ILE B 70 4.828 3.609 -1.894 1.00 1.41 C ATOM 1569 CG2 ILE B 70 2.503 4.312 -1.264 1.00 1.35 C ATOM 1570 CD1 ILE B 70 5.363 3.444 -0.489 1.00 1.62 C ATOM 0 H ILE B 70 5.306 5.781 -4.029 1.00 1.01 H new ATOM 0 HA ILE B 70 2.842 4.163 -3.898 1.00 1.12 H new ATOM 0 HB ILE B 70 4.161 5.622 -1.581 1.00 1.21 H new ATOM 0 HG12 ILE B 70 4.402 2.662 -2.225 1.00 1.41 H new ATOM 0 HG13 ILE B 70 5.656 3.837 -2.565 1.00 1.41 H new ATOM 0 HG21 ILE B 70 2.749 4.122 -0.219 1.00 1.35 H new ATOM 0 HG22 ILE B 70 1.776 5.122 -1.324 1.00 1.35 H new ATOM 0 HG23 ILE B 70 2.080 3.411 -1.707 1.00 1.35 H new ATOM 0 HD11 ILE B 70 6.110 2.650 -0.475 1.00 1.62 H new ATOM 0 HD12 ILE B 70 5.820 4.378 -0.161 1.00 1.62 H new ATOM 0 HD13 ILE B 70 4.545 3.184 0.184 1.00 1.62 H new ATOM 1582 N ASP B 71 1.345 6.165 -3.686 1.00 1.20 N ATOM 1583 CA ASP B 71 0.467 7.323 -3.774 1.00 1.30 C ATOM 1584 C ASP B 71 -0.171 7.580 -2.417 1.00 1.30 C ATOM 1585 O ASP B 71 -0.343 6.654 -1.623 1.00 1.46 O ATOM 1586 CB ASP B 71 -0.625 7.105 -4.828 1.00 1.55 C ATOM 1587 CG ASP B 71 -0.070 6.911 -6.225 1.00 1.54 C ATOM 1588 OD1 ASP B 71 0.593 7.836 -6.745 1.00 1.89 O ATOM 1589 OD2 ASP B 71 -0.307 5.837 -6.818 1.00 1.95 O ATOM 0 H ASP B 71 0.857 5.269 -3.686 1.00 1.20 H new ATOM 0 HA ASP B 71 1.061 8.187 -4.072 1.00 1.30 H new ATOM 0 HB2 ASP B 71 -1.217 6.232 -4.554 1.00 1.55 H new ATOM 0 HB3 ASP B 71 -1.300 7.961 -4.827 1.00 1.55 H new ATOM 1594 N VAL B 72 -0.516 8.829 -2.148 1.00 1.31 N ATOM 1595 CA VAL B 72 -1.127 9.185 -0.872 1.00 1.39 C ATOM 1596 C VAL B 72 -2.656 9.147 -0.956 1.00 1.60 C ATOM 1597 O VAL B 72 -3.321 8.644 -0.049 1.00 1.74 O ATOM 1598 CB VAL B 72 -0.644 10.576 -0.379 1.00 1.41 C ATOM 1599 CG1 VAL B 72 -0.887 11.655 -1.430 1.00 1.50 C ATOM 1600 CG2 VAL B 72 -1.308 10.946 0.942 1.00 1.98 C ATOM 0 H VAL B 72 -0.386 9.611 -2.790 1.00 1.31 H new ATOM 0 HA VAL B 72 -0.808 8.439 -0.144 1.00 1.39 H new ATOM 0 HB VAL B 72 0.431 10.512 -0.213 1.00 1.41 H new ATOM 0 HG11 VAL B 72 -0.537 12.616 -1.052 1.00 1.50 H new ATOM 0 HG12 VAL B 72 -0.344 11.404 -2.341 1.00 1.50 H new ATOM 0 HG13 VAL B 72 -1.953 11.717 -1.648 1.00 1.50 H new ATOM 0 HG21 VAL B 72 -0.953 11.924 1.266 1.00 1.98 H new ATOM 0 HG22 VAL B 72 -2.389 10.978 0.809 1.00 1.98 H new ATOM 0 HG23 VAL B 72 -1.057 10.201 1.697 1.00 1.98 H new ATOM 1610 N ASN B 73 -3.202 9.658 -2.055 1.00 1.74 N ATOM 1611 CA ASN B 73 -4.648 9.698 -2.260 1.00 2.04 C ATOM 1612 C ASN B 73 -4.955 10.256 -3.638 1.00 2.10 C ATOM 1613 O ASN B 73 -5.733 9.682 -4.401 1.00 2.56 O ATOM 1614 CB ASN B 73 -5.328 10.567 -1.192 1.00 2.45 C ATOM 1615 CG ASN B 73 -6.834 10.652 -1.369 1.00 3.02 C ATOM 1616 OD1 ASN B 73 -7.350 11.586 -1.983 1.00 3.36 O ATOM 1617 ND2 ASN B 73 -7.548 9.673 -0.834 1.00 3.55 N ATOM 0 H ASN B 73 -2.661 10.053 -2.824 1.00 1.74 H new ATOM 0 HA ASN B 73 -5.034 8.682 -2.179 1.00 2.04 H new ATOM 0 HB2 ASN B 73 -5.106 10.161 -0.205 1.00 2.45 H new ATOM 0 HB3 ASN B 73 -4.906 11.571 -1.226 1.00 2.45 H new ATOM 0 HD21 ASN B 73 -8.564 9.675 -0.923 1.00 3.55 H new ATOM 0 HD22 ASN B 73 -7.082 8.917 -0.333 1.00 3.55 H new ATOM 1624 N GLU B 74 -4.332 11.383 -3.945 1.00 2.11 N ATOM 1625 CA GLU B 74 -4.513 12.042 -5.227 1.00 2.37 C ATOM 1626 C GLU B 74 -3.358 11.702 -6.155 1.00 2.06 C ATOM 1627 O GLU B 74 -2.310 11.234 -5.705 1.00 2.44 O ATOM 1628 CB GLU B 74 -4.593 13.556 -5.036 1.00 3.12 C ATOM 1629 CG GLU B 74 -5.659 13.988 -4.047 1.00 3.50 C ATOM 1630 CD GLU B 74 -5.748 15.490 -3.919 1.00 4.28 C ATOM 1631 OE1 GLU B 74 -6.225 16.141 -4.871 1.00 4.70 O ATOM 1632 OE2 GLU B 74 -5.346 16.028 -2.868 1.00 4.76 O ATOM 0 H GLU B 74 -3.690 11.864 -3.315 1.00 2.11 H new ATOM 0 HA GLU B 74 -5.444 11.691 -5.671 1.00 2.37 H new ATOM 0 HB2 GLU B 74 -3.624 13.923 -4.696 1.00 3.12 H new ATOM 0 HB3 GLU B 74 -4.792 14.025 -6.000 1.00 3.12 H new ATOM 0 HG2 GLU B 74 -6.625 13.595 -4.363 1.00 3.50 H new ATOM 0 HG3 GLU B 74 -5.442 13.555 -3.071 1.00 3.50 H new ATOM 1639 N GLY B 75 -3.553 11.931 -7.444 1.00 1.96 N ATOM 1640 CA GLY B 75 -2.513 11.659 -8.412 1.00 1.83 C ATOM 1641 C GLY B 75 -1.487 12.771 -8.447 1.00 1.79 C ATOM 1642 O GLY B 75 -1.455 13.571 -9.381 1.00 2.16 O ATOM 0 H GLY B 75 -4.417 12.302 -7.838 1.00 1.96 H new ATOM 0 HA2 GLY B 75 -2.023 10.717 -8.166 1.00 1.83 H new ATOM 0 HA3 GLY B 75 -2.956 11.539 -9.401 1.00 1.83 H new ATOM 1646 N GLY B 76 -0.668 12.834 -7.408 1.00 1.70 N ATOM 1647 CA GLY B 76 0.347 13.853 -7.324 1.00 1.72 C ATOM 1648 C GLY B 76 0.132 14.734 -6.098 1.00 1.64 C ATOM 1649 O GLY B 76 -0.977 15.222 -5.874 1.00 1.74 O ATOM 0 H GLY B 76 -0.692 12.190 -6.617 1.00 1.70 H new ATOM 0 HA2 GLY B 76 1.332 13.388 -7.275 1.00 1.72 H new ATOM 0 HA3 GLY B 76 0.328 14.466 -8.225 1.00 1.72 H new ATOM 1653 N PRO B 77 1.174 14.955 -5.284 1.00 1.48 N ATOM 1654 CA PRO B 77 2.503 14.388 -5.515 1.00 1.39 C ATOM 1655 C PRO B 77 2.638 12.957 -4.999 1.00 1.29 C ATOM 1656 O PRO B 77 2.156 12.626 -3.914 1.00 1.33 O ATOM 1657 CB PRO B 77 3.405 15.325 -4.718 1.00 1.36 C ATOM 1658 CG PRO B 77 2.564 15.786 -3.577 1.00 1.41 C ATOM 1659 CD PRO B 77 1.135 15.787 -4.067 1.00 1.46 C ATOM 0 HA PRO B 77 2.741 14.321 -6.577 1.00 1.39 H new ATOM 0 HB2 PRO B 77 4.299 14.810 -4.367 1.00 1.36 H new ATOM 0 HB3 PRO B 77 3.740 16.165 -5.327 1.00 1.36 H new ATOM 0 HG2 PRO B 77 2.679 15.124 -2.719 1.00 1.41 H new ATOM 0 HG3 PRO B 77 2.863 16.783 -3.253 1.00 1.41 H new ATOM 0 HD2 PRO B 77 0.457 15.372 -3.321 1.00 1.46 H new ATOM 0 HD3 PRO B 77 0.789 16.797 -4.285 1.00 1.46 H new ATOM 1667 N SER B 78 3.286 12.111 -5.783 1.00 1.25 N ATOM 1668 CA SER B 78 3.504 10.730 -5.394 1.00 1.17 C ATOM 1669 C SER B 78 4.827 10.637 -4.640 1.00 1.05 C ATOM 1670 O SER B 78 5.650 11.555 -4.711 1.00 1.14 O ATOM 1671 CB SER B 78 3.511 9.820 -6.625 1.00 1.28 C ATOM 1672 OG SER B 78 2.269 9.887 -7.316 1.00 1.47 O ATOM 0 H SER B 78 3.671 12.359 -6.695 1.00 1.25 H new ATOM 0 HA SER B 78 2.694 10.397 -4.745 1.00 1.17 H new ATOM 0 HB2 SER B 78 4.320 10.114 -7.294 1.00 1.28 H new ATOM 0 HB3 SER B 78 3.707 8.792 -6.320 1.00 1.28 H new ATOM 0 HG SER B 78 1.753 9.072 -7.141 1.00 1.47 H new ATOM 1678 N TYR B 79 5.037 9.551 -3.916 1.00 1.02 N ATOM 1679 CA TYR B 79 6.258 9.400 -3.144 1.00 0.93 C ATOM 1680 C TYR B 79 7.019 8.145 -3.536 1.00 0.87 C ATOM 1681 O TYR B 79 6.430 7.121 -3.877 1.00 0.85 O ATOM 1682 CB TYR B 79 5.943 9.383 -1.649 1.00 0.93 C ATOM 1683 CG TYR B 79 5.536 10.737 -1.113 1.00 1.00 C ATOM 1684 CD1 TYR B 79 6.492 11.650 -0.688 1.00 1.15 C ATOM 1685 CD2 TYR B 79 4.199 11.104 -1.047 1.00 1.06 C ATOM 1686 CE1 TYR B 79 6.125 12.891 -0.209 1.00 1.26 C ATOM 1687 CE2 TYR B 79 3.827 12.345 -0.572 1.00 1.15 C ATOM 1688 CZ TYR B 79 4.793 13.233 -0.156 1.00 1.22 C ATOM 1689 OH TYR B 79 4.426 14.470 0.311 1.00 1.35 O ATOM 0 H TYR B 79 4.386 8.769 -3.847 1.00 1.02 H new ATOM 0 HA TYR B 79 6.895 10.256 -3.365 1.00 0.93 H new ATOM 0 HB2 TYR B 79 5.142 8.669 -1.461 1.00 0.93 H new ATOM 0 HB3 TYR B 79 6.818 9.031 -1.103 1.00 0.93 H new ATOM 0 HD1 TYR B 79 7.538 11.385 -0.733 1.00 1.15 H new ATOM 0 HD2 TYR B 79 3.439 10.409 -1.372 1.00 1.06 H new ATOM 0 HE1 TYR B 79 6.879 13.590 0.122 1.00 1.26 H new ATOM 0 HE2 TYR B 79 2.783 12.618 -0.527 1.00 1.15 H new ATOM 0 HH TYR B 79 3.450 14.554 0.283 1.00 1.35 H new ATOM 1699 N LYS B 80 8.337 8.243 -3.492 1.00 0.87 N ATOM 1700 CA LYS B 80 9.206 7.132 -3.831 1.00 0.83 C ATOM 1701 C LYS B 80 9.934 6.641 -2.590 1.00 0.77 C ATOM 1702 O LYS B 80 10.708 7.384 -1.986 1.00 0.81 O ATOM 1703 CB LYS B 80 10.223 7.559 -4.890 1.00 0.87 C ATOM 1704 CG LYS B 80 9.599 8.195 -6.125 1.00 0.99 C ATOM 1705 CD LYS B 80 8.860 7.171 -6.970 1.00 1.08 C ATOM 1706 CE LYS B 80 9.822 6.253 -7.706 1.00 1.41 C ATOM 1707 NZ LYS B 80 9.281 5.829 -9.022 1.00 2.14 N ATOM 0 H LYS B 80 8.832 9.093 -3.221 1.00 0.87 H new ATOM 0 HA LYS B 80 8.595 6.323 -4.232 1.00 0.83 H new ATOM 0 HB2 LYS B 80 10.922 8.266 -4.444 1.00 0.87 H new ATOM 0 HB3 LYS B 80 10.802 6.688 -5.196 1.00 0.87 H new ATOM 0 HG2 LYS B 80 8.909 8.982 -5.820 1.00 0.99 H new ATOM 0 HG3 LYS B 80 10.377 8.668 -6.724 1.00 0.99 H new ATOM 0 HD2 LYS B 80 8.205 6.577 -6.332 1.00 1.08 H new ATOM 0 HD3 LYS B 80 8.223 7.684 -7.690 1.00 1.08 H new ATOM 0 HE2 LYS B 80 10.773 6.765 -7.852 1.00 1.41 H new ATOM 0 HE3 LYS B 80 10.024 5.373 -7.095 1.00 1.41 H new ATOM 0 HZ1 LYS B 80 9.999 5.274 -9.530 1.00 2.14 H new ATOM 0 HZ2 LYS B 80 8.432 5.246 -8.877 1.00 2.14 H new ATOM 0 HZ3 LYS B 80 9.033 6.669 -9.582 1.00 2.14 H new ATOM 1721 N LEU B 81 9.674 5.404 -2.205 1.00 0.70 N ATOM 1722 CA LEU B 81 10.313 4.826 -1.036 1.00 0.67 C ATOM 1723 C LEU B 81 11.622 4.146 -1.436 1.00 0.63 C ATOM 1724 O LEU B 81 11.613 3.131 -2.138 1.00 0.60 O ATOM 1725 CB LEU B 81 9.377 3.823 -0.353 1.00 0.66 C ATOM 1726 CG LEU B 81 9.747 3.464 1.089 1.00 0.75 C ATOM 1727 CD1 LEU B 81 8.493 3.216 1.909 1.00 0.87 C ATOM 1728 CD2 LEU B 81 10.655 2.242 1.124 1.00 1.13 C ATOM 0 H LEU B 81 9.025 4.780 -2.685 1.00 0.70 H new ATOM 0 HA LEU B 81 10.534 5.625 -0.328 1.00 0.67 H new ATOM 0 HB2 LEU B 81 8.366 4.230 -0.361 1.00 0.66 H new ATOM 0 HB3 LEU B 81 9.357 2.908 -0.945 1.00 0.66 H new ATOM 0 HG LEU B 81 10.288 4.304 1.524 1.00 0.75 H new ATOM 0 HD11 LEU B 81 8.771 2.962 2.932 1.00 0.87 H new ATOM 0 HD12 LEU B 81 7.877 4.115 1.913 1.00 0.87 H new ATOM 0 HD13 LEU B 81 7.929 2.392 1.471 1.00 0.87 H new ATOM 0 HD21 LEU B 81 10.906 2.004 2.158 1.00 1.13 H new ATOM 0 HD22 LEU B 81 10.141 1.394 0.671 1.00 1.13 H new ATOM 0 HD23 LEU B 81 11.569 2.452 0.568 1.00 1.13 H new ATOM 1740 N PRO B 82 12.760 4.713 -1.010 1.00 0.68 N ATOM 1741 CA PRO B 82 14.080 4.170 -1.320 1.00 0.70 C ATOM 1742 C PRO B 82 14.438 2.982 -0.430 1.00 0.69 C ATOM 1743 O PRO B 82 14.610 3.125 0.780 1.00 0.73 O ATOM 1744 CB PRO B 82 15.009 5.355 -1.051 1.00 0.77 C ATOM 1745 CG PRO B 82 14.326 6.143 0.012 1.00 0.78 C ATOM 1746 CD PRO B 82 12.846 5.936 -0.189 1.00 0.77 C ATOM 0 HA PRO B 82 14.145 3.784 -2.337 1.00 0.70 H new ATOM 0 HB2 PRO B 82 15.993 5.019 -0.724 1.00 0.77 H new ATOM 0 HB3 PRO B 82 15.159 5.952 -1.951 1.00 0.77 H new ATOM 0 HG2 PRO B 82 14.634 5.808 1.002 1.00 0.78 H new ATOM 0 HG3 PRO B 82 14.584 7.200 -0.061 1.00 0.78 H new ATOM 0 HD2 PRO B 82 12.328 5.814 0.762 1.00 0.77 H new ATOM 0 HD3 PRO B 82 12.390 6.787 -0.694 1.00 0.77 H new ATOM 1754 N TYR B 83 14.549 1.811 -1.036 1.00 0.69 N ATOM 1755 CA TYR B 83 14.864 0.596 -0.299 1.00 0.70 C ATOM 1756 C TYR B 83 16.234 0.054 -0.682 1.00 0.74 C ATOM 1757 O TYR B 83 16.609 0.045 -1.856 1.00 0.78 O ATOM 1758 CB TYR B 83 13.785 -0.464 -0.556 1.00 0.75 C ATOM 1759 CG TYR B 83 14.123 -1.845 -0.018 1.00 0.80 C ATOM 1760 CD1 TYR B 83 14.228 -2.079 1.350 1.00 0.82 C ATOM 1761 CD2 TYR B 83 14.332 -2.915 -0.882 1.00 0.87 C ATOM 1762 CE1 TYR B 83 14.534 -3.337 1.839 1.00 0.89 C ATOM 1763 CE2 TYR B 83 14.638 -4.173 -0.399 1.00 0.93 C ATOM 1764 CZ TYR B 83 14.737 -4.380 0.961 1.00 0.94 C ATOM 1765 OH TYR B 83 15.040 -5.634 1.443 1.00 1.02 O ATOM 0 H TYR B 83 14.425 1.675 -2.039 1.00 0.69 H new ATOM 0 HA TYR B 83 14.887 0.840 0.763 1.00 0.70 H new ATOM 0 HB2 TYR B 83 12.850 -0.130 -0.106 1.00 0.75 H new ATOM 0 HB3 TYR B 83 13.613 -0.537 -1.630 1.00 0.75 H new ATOM 0 HD1 TYR B 83 14.068 -1.265 2.042 1.00 0.82 H new ATOM 0 HD2 TYR B 83 14.254 -2.760 -1.948 1.00 0.87 H new ATOM 0 HE1 TYR B 83 14.613 -3.501 2.904 1.00 0.89 H new ATOM 0 HE2 TYR B 83 14.799 -4.992 -1.085 1.00 0.93 H new ATOM 0 HH TYR B 83 14.628 -5.754 2.324 1.00 1.02 H new ATOM 1775 N ASN B 84 16.977 -0.387 0.324 1.00 0.76 N ATOM 1776 CA ASN B 84 18.298 -0.965 0.122 1.00 0.84 C ATOM 1777 C ASN B 84 18.210 -2.467 0.350 1.00 0.93 C ATOM 1778 O ASN B 84 17.623 -2.915 1.334 1.00 0.95 O ATOM 1779 CB ASN B 84 19.322 -0.328 1.077 1.00 0.86 C ATOM 1780 CG ASN B 84 20.618 -1.120 1.204 1.00 1.63 C ATOM 1781 OD1 ASN B 84 21.097 -1.363 2.310 1.00 2.01 O ATOM 1782 ND2 ASN B 84 21.208 -1.513 0.082 1.00 2.53 N ATOM 0 H ASN B 84 16.682 -0.354 1.300 1.00 0.76 H new ATOM 0 HA ASN B 84 18.633 -0.768 -0.896 1.00 0.84 H new ATOM 0 HB2 ASN B 84 19.554 0.678 0.728 1.00 0.86 H new ATOM 0 HB3 ASN B 84 18.871 -0.226 2.064 1.00 0.86 H new ATOM 0 HD21 ASN B 84 22.085 -2.033 0.122 1.00 2.53 H new ATOM 0 HD22 ASN B 84 20.785 -1.295 -0.820 1.00 2.53 H new ATOM 1789 N THR B 85 18.771 -3.239 -0.565 1.00 1.07 N ATOM 1790 CA THR B 85 18.745 -4.693 -0.475 1.00 1.20 C ATOM 1791 C THR B 85 19.352 -5.193 0.839 1.00 1.16 C ATOM 1792 O THR B 85 18.906 -6.195 1.399 1.00 1.39 O ATOM 1793 CB THR B 85 19.496 -5.321 -1.663 1.00 1.34 C ATOM 1794 OG1 THR B 85 19.272 -4.537 -2.843 1.00 1.53 O ATOM 1795 CG2 THR B 85 19.027 -6.749 -1.907 1.00 1.79 C ATOM 0 H THR B 85 19.255 -2.880 -1.388 1.00 1.07 H new ATOM 0 HA THR B 85 17.699 -4.998 -0.503 1.00 1.20 H new ATOM 0 HB THR B 85 20.560 -5.340 -1.427 1.00 1.34 H new ATOM 0 HG1 THR B 85 19.752 -4.937 -3.598 1.00 1.53 H new ATOM 0 HG21 THR B 85 19.572 -7.172 -2.751 1.00 1.79 H new ATOM 0 HG22 THR B 85 19.213 -7.350 -1.017 1.00 1.79 H new ATOM 0 HG23 THR B 85 17.960 -6.749 -2.128 1.00 1.79 H new ATOM 1803 N SER B 86 20.341 -4.470 1.346 1.00 1.23 N ATOM 1804 CA SER B 86 21.015 -4.844 2.583 1.00 1.24 C ATOM 1805 C SER B 86 20.366 -4.179 3.804 1.00 1.22 C ATOM 1806 O SER B 86 21.023 -3.954 4.822 1.00 1.43 O ATOM 1807 CB SER B 86 22.493 -4.457 2.490 1.00 1.53 C ATOM 1808 OG SER B 86 22.994 -4.673 1.177 1.00 1.95 O ATOM 0 H SER B 86 20.697 -3.616 0.917 1.00 1.23 H new ATOM 0 HA SER B 86 20.923 -5.922 2.713 1.00 1.24 H new ATOM 0 HB2 SER B 86 22.616 -3.409 2.762 1.00 1.53 H new ATOM 0 HB3 SER B 86 23.072 -5.042 3.205 1.00 1.53 H new ATOM 0 HG SER B 86 23.939 -4.417 1.141 1.00 1.95 H new ATOM 1814 N ASP B 87 19.083 -3.861 3.704 1.00 1.20 N ATOM 1815 CA ASP B 87 18.374 -3.234 4.811 1.00 1.43 C ATOM 1816 C ASP B 87 17.199 -4.103 5.251 1.00 1.19 C ATOM 1817 O ASP B 87 17.046 -5.235 4.785 1.00 1.33 O ATOM 1818 CB ASP B 87 17.887 -1.838 4.418 1.00 1.99 C ATOM 1819 CG ASP B 87 17.815 -0.899 5.607 1.00 2.54 C ATOM 1820 OD1 ASP B 87 18.838 -0.251 5.915 1.00 2.92 O ATOM 1821 OD2 ASP B 87 16.741 -0.812 6.240 1.00 2.97 O ATOM 0 H ASP B 87 18.514 -4.025 2.873 1.00 1.20 H new ATOM 0 HA ASP B 87 19.065 -3.134 5.648 1.00 1.43 H new ATOM 0 HB2 ASP B 87 18.557 -1.420 3.667 1.00 1.99 H new ATOM 0 HB3 ASP B 87 16.902 -1.915 3.958 1.00 1.99 H new ATOM 1826 N ASP B 88 16.368 -3.568 6.135 1.00 1.18 N ATOM 1827 CA ASP B 88 15.215 -4.292 6.655 1.00 1.09 C ATOM 1828 C ASP B 88 13.927 -3.554 6.302 1.00 0.98 C ATOM 1829 O ASP B 88 13.880 -2.332 6.378 1.00 0.95 O ATOM 1830 CB ASP B 88 15.346 -4.447 8.175 1.00 1.31 C ATOM 1831 CG ASP B 88 14.060 -4.886 8.841 1.00 1.86 C ATOM 1832 OD1 ASP B 88 13.832 -6.108 8.954 1.00 2.55 O ATOM 1833 OD2 ASP B 88 13.283 -4.010 9.264 1.00 2.12 O ATOM 0 H ASP B 88 16.473 -2.625 6.510 1.00 1.18 H new ATOM 0 HA ASP B 88 15.178 -5.282 6.201 1.00 1.09 H new ATOM 0 HB2 ASP B 88 16.128 -5.174 8.394 1.00 1.31 H new ATOM 0 HB3 ASP B 88 15.665 -3.497 8.605 1.00 1.31 H new ATOM 1838 N PRO B 89 12.869 -4.285 5.909 1.00 0.95 N ATOM 1839 CA PRO B 89 11.578 -3.696 5.531 1.00 0.90 C ATOM 1840 C PRO B 89 11.046 -2.665 6.531 1.00 0.89 C ATOM 1841 O PRO B 89 10.570 -1.604 6.133 1.00 0.85 O ATOM 1842 CB PRO B 89 10.625 -4.901 5.454 1.00 0.96 C ATOM 1843 CG PRO B 89 11.388 -6.060 6.007 1.00 0.79 C ATOM 1844 CD PRO B 89 12.839 -5.747 5.788 1.00 1.00 C ATOM 0 HA PRO B 89 11.673 -3.141 4.598 1.00 0.90 H new ATOM 0 HB2 PRO B 89 9.718 -4.719 6.030 1.00 0.96 H new ATOM 0 HB3 PRO B 89 10.317 -5.091 4.426 1.00 0.96 H new ATOM 0 HG2 PRO B 89 11.175 -6.197 7.067 1.00 0.79 H new ATOM 0 HG3 PRO B 89 11.109 -6.986 5.504 1.00 0.79 H new ATOM 0 HD2 PRO B 89 13.475 -6.229 6.531 1.00 1.00 H new ATOM 0 HD3 PRO B 89 13.183 -6.081 4.809 1.00 1.00 H new ATOM 1852 N TRP B 90 11.142 -2.962 7.824 1.00 0.97 N ATOM 1853 CA TRP B 90 10.650 -2.046 8.847 1.00 1.01 C ATOM 1854 C TRP B 90 11.597 -0.863 9.016 1.00 0.99 C ATOM 1855 O TRP B 90 11.160 0.282 9.149 1.00 0.96 O ATOM 1856 CB TRP B 90 10.468 -2.769 10.185 1.00 1.13 C ATOM 1857 CG TRP B 90 9.243 -3.632 10.238 1.00 1.32 C ATOM 1858 CD1 TRP B 90 7.976 -3.236 10.564 1.00 1.47 C ATOM 1859 CD2 TRP B 90 9.166 -5.037 9.966 1.00 2.16 C ATOM 1860 NE1 TRP B 90 7.117 -4.307 10.506 1.00 2.14 N ATOM 1861 CE2 TRP B 90 7.824 -5.424 10.142 1.00 2.56 C ATOM 1862 CE3 TRP B 90 10.101 -6.004 9.588 1.00 2.87 C ATOM 1863 CZ2 TRP B 90 7.395 -6.735 9.950 1.00 3.50 C ATOM 1864 CZ3 TRP B 90 9.675 -7.306 9.402 1.00 3.79 C ATOM 1865 CH2 TRP B 90 8.333 -7.660 9.583 1.00 4.06 C ATOM 0 H TRP B 90 11.553 -3.823 8.186 1.00 0.97 H new ATOM 0 HA TRP B 90 9.680 -1.671 8.520 1.00 1.01 H new ATOM 0 HB2 TRP B 90 11.346 -3.386 10.378 1.00 1.13 H new ATOM 0 HB3 TRP B 90 10.416 -2.030 10.984 1.00 1.13 H new ATOM 0 HD1 TRP B 90 7.692 -2.228 10.829 1.00 1.47 H new ATOM 0 HE1 TRP B 90 6.116 -4.276 10.702 1.00 2.14 H new ATOM 0 HE3 TRP B 90 11.138 -5.739 9.444 1.00 2.87 H new ATOM 0 HZ2 TRP B 90 6.360 -7.011 10.086 1.00 3.50 H new ATOM 0 HZ3 TRP B 90 10.389 -8.062 9.112 1.00 3.79 H new ATOM 0 HH2 TRP B 90 8.032 -8.686 9.430 1.00 4.06 H new ATOM 1876 N LEU B 91 12.892 -1.145 9.007 1.00 1.03 N ATOM 1877 CA LEU B 91 13.899 -0.100 9.154 1.00 1.05 C ATOM 1878 C LEU B 91 13.869 0.849 7.959 1.00 0.97 C ATOM 1879 O LEU B 91 13.953 2.066 8.123 1.00 0.99 O ATOM 1880 CB LEU B 91 15.299 -0.700 9.316 1.00 1.14 C ATOM 1881 CG LEU B 91 15.508 -1.558 10.568 1.00 1.32 C ATOM 1882 CD1 LEU B 91 16.975 -1.928 10.714 1.00 1.39 C ATOM 1883 CD2 LEU B 91 15.014 -0.830 11.809 1.00 1.43 C ATOM 0 H LEU B 91 13.271 -2.086 8.900 1.00 1.03 H new ATOM 0 HA LEU B 91 13.662 0.464 10.056 1.00 1.05 H new ATOM 0 HB2 LEU B 91 15.518 -1.309 8.439 1.00 1.14 H new ATOM 0 HB3 LEU B 91 16.025 0.113 9.329 1.00 1.14 H new ATOM 0 HG LEU B 91 14.927 -2.474 10.459 1.00 1.32 H new ATOM 0 HD11 LEU B 91 17.109 -2.538 11.608 1.00 1.39 H new ATOM 0 HD12 LEU B 91 17.297 -2.492 9.838 1.00 1.39 H new ATOM 0 HD13 LEU B 91 17.572 -1.020 10.801 1.00 1.39 H new ATOM 0 HD21 LEU B 91 15.172 -1.458 12.686 1.00 1.43 H new ATOM 0 HD22 LEU B 91 15.565 0.103 11.927 1.00 1.43 H new ATOM 0 HD23 LEU B 91 13.951 -0.613 11.705 1.00 1.43 H new ATOM 1895 N THR B 92 13.744 0.293 6.761 1.00 0.92 N ATOM 1896 CA THR B 92 13.683 1.099 5.552 1.00 0.88 C ATOM 1897 C THR B 92 12.425 1.964 5.563 1.00 0.81 C ATOM 1898 O THR B 92 12.457 3.138 5.181 1.00 0.82 O ATOM 1899 CB THR B 92 13.684 0.221 4.287 1.00 0.92 C ATOM 1900 OG1 THR B 92 14.815 -0.660 4.294 1.00 0.97 O ATOM 1901 CG2 THR B 92 13.723 1.086 3.039 1.00 1.06 C ATOM 0 H THR B 92 13.683 -0.713 6.602 1.00 0.92 H new ATOM 0 HA THR B 92 14.570 1.732 5.533 1.00 0.88 H new ATOM 0 HB THR B 92 12.768 -0.370 4.282 1.00 0.92 H new ATOM 0 HG1 THR B 92 15.370 -0.474 5.080 1.00 0.97 H new ATOM 0 HG21 THR B 92 13.723 0.449 2.155 1.00 1.06 H new ATOM 0 HG22 THR B 92 12.847 1.735 3.019 1.00 1.06 H new ATOM 0 HG23 THR B 92 14.626 1.696 3.047 1.00 1.06 H new ATOM 1909 N ALA B 93 11.322 1.376 6.017 1.00 0.79 N ATOM 1910 CA ALA B 93 10.057 2.086 6.101 1.00 0.79 C ATOM 1911 C ALA B 93 10.182 3.261 7.057 1.00 0.84 C ATOM 1912 O ALA B 93 9.726 4.364 6.762 1.00 0.84 O ATOM 1913 CB ALA B 93 8.947 1.149 6.555 1.00 0.82 C ATOM 0 H ALA B 93 11.282 0.407 6.332 1.00 0.79 H new ATOM 0 HA ALA B 93 9.802 2.463 5.111 1.00 0.79 H new ATOM 0 HB1 ALA B 93 8.007 1.699 6.612 1.00 0.82 H new ATOM 0 HB2 ALA B 93 8.846 0.331 5.841 1.00 0.82 H new ATOM 0 HB3 ALA B 93 9.191 0.745 7.537 1.00 0.82 H new ATOM 1919 N TYR B 94 10.832 3.017 8.190 1.00 0.93 N ATOM 1920 CA TYR B 94 11.035 4.044 9.199 1.00 1.04 C ATOM 1921 C TYR B 94 11.908 5.165 8.650 1.00 1.05 C ATOM 1922 O TYR B 94 11.687 6.337 8.949 1.00 1.10 O ATOM 1923 CB TYR B 94 11.679 3.441 10.448 1.00 1.17 C ATOM 1924 CG TYR B 94 11.281 4.139 11.726 1.00 1.28 C ATOM 1925 CD1 TYR B 94 10.056 3.881 12.320 1.00 1.35 C ATOM 1926 CD2 TYR B 94 12.130 5.053 12.336 1.00 1.44 C ATOM 1927 CE1 TYR B 94 9.684 4.513 13.488 1.00 1.50 C ATOM 1928 CE2 TYR B 94 11.767 5.689 13.507 1.00 1.57 C ATOM 1929 CZ TYR B 94 10.543 5.416 14.080 1.00 1.57 C ATOM 1930 OH TYR B 94 10.179 6.042 15.250 1.00 1.76 O ATOM 0 H TYR B 94 11.229 2.109 8.431 1.00 0.93 H new ATOM 0 HA TYR B 94 10.064 4.458 9.469 1.00 1.04 H new ATOM 0 HB2 TYR B 94 11.404 2.389 10.517 1.00 1.17 H new ATOM 0 HB3 TYR B 94 12.763 3.481 10.344 1.00 1.17 H new ATOM 0 HD1 TYR B 94 9.382 3.173 11.861 1.00 1.35 H new ATOM 0 HD2 TYR B 94 13.089 5.270 11.888 1.00 1.44 H new ATOM 0 HE1 TYR B 94 8.725 4.302 13.937 1.00 1.50 H new ATOM 0 HE2 TYR B 94 12.438 6.396 13.971 1.00 1.57 H new ATOM 0 HH TYR B 94 10.896 6.646 15.535 1.00 1.76 H new ATOM 1940 N ASN B 95 12.888 4.794 7.829 1.00 1.03 N ATOM 1941 CA ASN B 95 13.800 5.760 7.217 1.00 1.08 C ATOM 1942 C ASN B 95 13.026 6.774 6.385 1.00 1.04 C ATOM 1943 O ASN B 95 13.265 7.977 6.466 1.00 1.12 O ATOM 1944 CB ASN B 95 14.823 5.040 6.334 1.00 1.08 C ATOM 1945 CG ASN B 95 16.089 4.664 7.085 1.00 1.09 C ATOM 1946 OD1 ASN B 95 16.587 5.425 7.916 1.00 1.22 O ATOM 1947 ND2 ASN B 95 16.625 3.490 6.790 1.00 1.47 N ATOM 0 H ASN B 95 13.072 3.825 7.570 1.00 1.03 H new ATOM 0 HA ASN B 95 14.325 6.286 8.014 1.00 1.08 H new ATOM 0 HB2 ASN B 95 14.370 4.139 5.922 1.00 1.08 H new ATOM 0 HB3 ASN B 95 15.083 5.680 5.491 1.00 1.08 H new ATOM 0 HD21 ASN B 95 17.480 3.188 7.257 1.00 1.47 H new ATOM 0 HD22 ASN B 95 16.183 2.887 6.096 1.00 1.47 H new ATOM 1954 N PHE B 96 12.084 6.278 5.596 1.00 0.93 N ATOM 1955 CA PHE B 96 11.260 7.136 4.757 1.00 0.91 C ATOM 1956 C PHE B 96 10.224 7.869 5.605 1.00 0.91 C ATOM 1957 O PHE B 96 9.920 9.040 5.366 1.00 0.92 O ATOM 1958 CB PHE B 96 10.573 6.308 3.666 1.00 0.88 C ATOM 1959 CG PHE B 96 9.541 7.069 2.882 1.00 0.97 C ATOM 1960 CD1 PHE B 96 9.918 8.015 1.942 1.00 1.16 C ATOM 1961 CD2 PHE B 96 8.190 6.840 3.091 1.00 0.99 C ATOM 1962 CE1 PHE B 96 8.967 8.718 1.227 1.00 1.32 C ATOM 1963 CE2 PHE B 96 7.236 7.541 2.380 1.00 1.19 C ATOM 1964 CZ PHE B 96 7.624 8.480 1.447 1.00 1.33 C ATOM 0 H PHE B 96 11.871 5.283 5.519 1.00 0.93 H new ATOM 0 HA PHE B 96 11.900 7.877 4.278 1.00 0.91 H new ATOM 0 HB2 PHE B 96 11.331 5.930 2.979 1.00 0.88 H new ATOM 0 HB3 PHE B 96 10.099 5.441 4.126 1.00 0.88 H new ATOM 0 HD1 PHE B 96 10.967 8.205 1.766 1.00 1.16 H new ATOM 0 HD2 PHE B 96 7.880 6.105 3.819 1.00 0.99 H new ATOM 0 HE1 PHE B 96 9.273 9.453 0.497 1.00 1.32 H new ATOM 0 HE2 PHE B 96 6.187 7.354 2.554 1.00 1.19 H new ATOM 0 HZ PHE B 96 6.879 9.028 0.889 1.00 1.33 H new ATOM 1974 N LEU B 97 9.704 7.176 6.610 1.00 0.93 N ATOM 1975 CA LEU B 97 8.697 7.737 7.501 1.00 1.00 C ATOM 1976 C LEU B 97 9.223 8.964 8.240 1.00 1.09 C ATOM 1977 O LEU B 97 8.507 9.951 8.391 1.00 1.10 O ATOM 1978 CB LEU B 97 8.230 6.682 8.508 1.00 1.06 C ATOM 1979 CG LEU B 97 6.776 6.224 8.351 1.00 1.28 C ATOM 1980 CD1 LEU B 97 6.554 5.582 6.990 1.00 1.30 C ATOM 1981 CD2 LEU B 97 6.393 5.255 9.459 1.00 1.48 C ATOM 0 H LEU B 97 9.966 6.215 6.830 1.00 0.93 H new ATOM 0 HA LEU B 97 7.852 8.049 6.888 1.00 1.00 H new ATOM 0 HB2 LEU B 97 8.879 5.810 8.423 1.00 1.06 H new ATOM 0 HB3 LEU B 97 8.361 7.081 9.514 1.00 1.06 H new ATOM 0 HG LEU B 97 6.138 7.105 8.425 1.00 1.28 H new ATOM 0 HD11 LEU B 97 5.515 5.265 6.902 1.00 1.30 H new ATOM 0 HD12 LEU B 97 6.781 6.304 6.206 1.00 1.30 H new ATOM 0 HD13 LEU B 97 7.207 4.716 6.885 1.00 1.30 H new ATOM 0 HD21 LEU B 97 5.357 4.943 9.328 1.00 1.48 H new ATOM 0 HD22 LEU B 97 7.043 4.381 9.419 1.00 1.48 H new ATOM 0 HD23 LEU B 97 6.504 5.746 10.426 1.00 1.48 H new ATOM 1993 N GLN B 98 10.469 8.904 8.695 1.00 1.19 N ATOM 1994 CA GLN B 98 11.067 10.025 9.414 1.00 1.31 C ATOM 1995 C GLN B 98 11.535 11.113 8.449 1.00 1.30 C ATOM 1996 O GLN B 98 11.706 12.267 8.838 1.00 1.39 O ATOM 1997 CB GLN B 98 12.238 9.553 10.280 1.00 1.43 C ATOM 1998 CG GLN B 98 13.388 8.955 9.486 1.00 2.02 C ATOM 1999 CD GLN B 98 14.546 8.536 10.362 1.00 2.69 C ATOM 2000 OE1 GLN B 98 14.373 8.240 11.546 1.00 2.73 O ATOM 2001 NE2 GLN B 98 15.739 8.502 9.789 1.00 3.60 N ATOM 0 H GLN B 98 11.082 8.097 8.581 1.00 1.19 H new ATOM 0 HA GLN B 98 10.299 10.447 10.062 1.00 1.31 H new ATOM 0 HB2 GLN B 98 12.610 10.396 10.861 1.00 1.43 H new ATOM 0 HB3 GLN B 98 11.875 8.811 10.991 1.00 1.43 H new ATOM 0 HG2 GLN B 98 13.028 8.090 8.928 1.00 2.02 H new ATOM 0 HG3 GLN B 98 13.736 9.684 8.754 1.00 2.02 H new ATOM 0 HE21 GLN B 98 15.840 8.755 8.806 1.00 3.60 H new ATOM 0 HE22 GLN B 98 16.557 8.223 10.331 1.00 3.60 H new ATOM 2010 N LYS B 99 11.733 10.740 7.189 1.00 1.21 N ATOM 2011 CA LYS B 99 12.184 11.681 6.168 1.00 1.23 C ATOM 2012 C LYS B 99 11.125 12.750 5.910 1.00 1.18 C ATOM 2013 O LYS B 99 11.392 13.947 6.033 1.00 1.22 O ATOM 2014 CB LYS B 99 12.514 10.933 4.866 1.00 1.19 C ATOM 2015 CG LYS B 99 13.081 11.815 3.757 1.00 1.18 C ATOM 2016 CD LYS B 99 11.987 12.344 2.835 1.00 1.26 C ATOM 2017 CE LYS B 99 12.560 13.201 1.713 1.00 1.39 C ATOM 2018 NZ LYS B 99 11.532 14.096 1.113 1.00 1.59 N ATOM 0 H LYS B 99 11.588 9.789 6.849 1.00 1.21 H new ATOM 0 HA LYS B 99 13.086 12.174 6.530 1.00 1.23 H new ATOM 0 HB2 LYS B 99 13.231 10.143 5.087 1.00 1.19 H new ATOM 0 HB3 LYS B 99 11.609 10.448 4.501 1.00 1.19 H new ATOM 0 HG2 LYS B 99 13.619 12.653 4.199 1.00 1.18 H new ATOM 0 HG3 LYS B 99 13.803 11.245 3.173 1.00 1.18 H new ATOM 0 HD2 LYS B 99 11.435 11.507 2.408 1.00 1.26 H new ATOM 0 HD3 LYS B 99 11.276 12.932 3.415 1.00 1.26 H new ATOM 0 HE2 LYS B 99 13.383 13.802 2.100 1.00 1.39 H new ATOM 0 HE3 LYS B 99 12.974 12.555 0.939 1.00 1.39 H new ATOM 0 HZ1 LYS B 99 11.467 13.913 0.091 1.00 1.59 H new ATOM 0 HZ2 LYS B 99 10.610 13.912 1.557 1.00 1.59 H new ATOM 0 HZ3 LYS B 99 11.801 15.088 1.271 1.00 1.59 H new ATOM 2032 N ASN B 100 9.920 12.314 5.569 1.00 1.12 N ATOM 2033 CA ASN B 100 8.835 13.244 5.269 1.00 1.11 C ATOM 2034 C ASN B 100 7.893 13.402 6.453 1.00 1.13 C ATOM 2035 O ASN B 100 6.881 14.097 6.355 1.00 1.12 O ATOM 2036 CB ASN B 100 8.048 12.767 4.047 1.00 1.07 C ATOM 2037 CG ASN B 100 8.106 13.754 2.901 1.00 1.32 C ATOM 2038 OD1 ASN B 100 8.950 13.641 2.012 1.00 1.75 O ATOM 2039 ND2 ASN B 100 7.215 14.731 2.921 1.00 1.49 N ATOM 0 H ASN B 100 9.668 11.329 5.493 1.00 1.12 H new ATOM 0 HA ASN B 100 9.284 14.214 5.057 1.00 1.11 H new ATOM 0 HB2 ASN B 100 8.443 11.807 3.716 1.00 1.07 H new ATOM 0 HB3 ASN B 100 7.008 12.603 4.329 1.00 1.07 H new ATOM 0 HD21 ASN B 100 7.209 15.431 2.179 1.00 1.49 H new ATOM 0 HD22 ASN B 100 6.534 14.785 3.678 1.00 1.49 H new ATOM 2046 N ASP B 101 8.238 12.753 7.561 1.00 1.19 N ATOM 2047 CA ASP B 101 7.437 12.797 8.787 1.00 1.24 C ATOM 2048 C ASP B 101 6.017 12.289 8.528 1.00 1.23 C ATOM 2049 O ASP B 101 5.072 13.063 8.365 1.00 1.33 O ATOM 2050 CB ASP B 101 7.419 14.212 9.383 1.00 1.27 C ATOM 2051 CG ASP B 101 6.655 14.291 10.692 1.00 1.36 C ATOM 2052 OD1 ASP B 101 7.156 13.766 11.714 1.00 1.84 O ATOM 2053 OD2 ASP B 101 5.561 14.893 10.713 1.00 1.79 O ATOM 0 H ASP B 101 9.079 12.181 7.638 1.00 1.19 H new ATOM 0 HA ASP B 101 7.902 12.135 9.518 1.00 1.24 H new ATOM 0 HB2 ASP B 101 8.444 14.546 9.545 1.00 1.27 H new ATOM 0 HB3 ASP B 101 6.971 14.898 8.664 1.00 1.27 H new ATOM 2058 N LEU B 102 5.885 10.974 8.459 1.00 1.15 N ATOM 2059 CA LEU B 102 4.593 10.348 8.220 1.00 1.17 C ATOM 2060 C LEU B 102 4.040 9.760 9.511 1.00 1.23 C ATOM 2061 O LEU B 102 4.654 9.876 10.575 1.00 1.28 O ATOM 2062 CB LEU B 102 4.701 9.247 7.158 1.00 1.11 C ATOM 2063 CG LEU B 102 4.836 9.722 5.704 1.00 1.26 C ATOM 2064 CD1 LEU B 102 3.975 10.950 5.440 1.00 1.96 C ATOM 2065 CD2 LEU B 102 6.291 10.003 5.359 1.00 1.50 C ATOM 0 H LEU B 102 6.658 10.317 8.565 1.00 1.15 H new ATOM 0 HA LEU B 102 3.913 11.118 7.855 1.00 1.17 H new ATOM 0 HB2 LEU B 102 5.563 8.623 7.397 1.00 1.11 H new ATOM 0 HB3 LEU B 102 3.818 8.612 7.231 1.00 1.11 H new ATOM 0 HG LEU B 102 4.479 8.919 5.060 1.00 1.26 H new ATOM 0 HD11 LEU B 102 4.093 11.261 4.402 1.00 1.96 H new ATOM 0 HD12 LEU B 102 2.929 10.709 5.630 1.00 1.96 H new ATOM 0 HD13 LEU B 102 4.286 11.761 6.099 1.00 1.96 H new ATOM 0 HD21 LEU B 102 6.361 10.338 4.324 1.00 1.50 H new ATOM 0 HD22 LEU B 102 6.678 10.779 6.019 1.00 1.50 H new ATOM 0 HD23 LEU B 102 6.877 9.093 5.486 1.00 1.50 H new ATOM 2077 N ASN B 103 2.883 9.124 9.407 1.00 1.25 N ATOM 2078 CA ASN B 103 2.236 8.513 10.559 1.00 1.31 C ATOM 2079 C ASN B 103 2.674 7.060 10.701 1.00 1.23 C ATOM 2080 O ASN B 103 2.726 6.330 9.713 1.00 1.14 O ATOM 2081 CB ASN B 103 0.715 8.580 10.405 1.00 1.37 C ATOM 2082 CG ASN B 103 -0.015 8.296 11.703 1.00 1.43 C ATOM 2083 OD1 ASN B 103 -0.234 7.142 12.071 1.00 1.34 O ATOM 2084 ND2 ASN B 103 -0.411 9.347 12.394 1.00 1.84 N ATOM 0 H ASN B 103 2.370 9.017 8.532 1.00 1.25 H new ATOM 0 HA ASN B 103 2.530 9.062 11.454 1.00 1.31 H new ATOM 0 HB2 ASN B 103 0.433 9.569 10.043 1.00 1.37 H new ATOM 0 HB3 ASN B 103 0.398 7.861 9.649 1.00 1.37 H new ATOM 0 HD21 ASN B 103 -0.919 9.220 13.269 1.00 1.84 H new ATOM 0 HD22 ASN B 103 -0.209 10.287 12.053 1.00 1.84 H new ATOM 2091 N PRO B 104 3.004 6.624 11.933 1.00 1.29 N ATOM 2092 CA PRO B 104 3.430 5.242 12.211 1.00 1.25 C ATOM 2093 C PRO B 104 2.440 4.190 11.704 1.00 1.19 C ATOM 2094 O PRO B 104 2.813 3.048 11.455 1.00 1.15 O ATOM 2095 CB PRO B 104 3.511 5.195 13.737 1.00 1.34 C ATOM 2096 CG PRO B 104 3.754 6.603 14.149 1.00 1.55 C ATOM 2097 CD PRO B 104 3.019 7.456 13.155 1.00 1.41 C ATOM 0 HA PRO B 104 4.366 5.008 11.704 1.00 1.25 H new ATOM 0 HB2 PRO B 104 2.588 4.810 14.170 1.00 1.34 H new ATOM 0 HB3 PRO B 104 4.317 4.541 14.070 1.00 1.34 H new ATOM 0 HG2 PRO B 104 3.391 6.782 15.161 1.00 1.55 H new ATOM 0 HG3 PRO B 104 4.820 6.832 14.148 1.00 1.55 H new ATOM 0 HD2 PRO B 104 2.010 7.689 13.494 1.00 1.41 H new ATOM 0 HD3 PRO B 104 3.527 8.406 12.988 1.00 1.41 H new ATOM 2105 N MET B 105 1.181 4.584 11.543 1.00 1.21 N ATOM 2106 CA MET B 105 0.144 3.674 11.060 1.00 1.20 C ATOM 2107 C MET B 105 0.435 3.216 9.628 1.00 1.13 C ATOM 2108 O MET B 105 0.000 2.146 9.204 1.00 1.16 O ATOM 2109 CB MET B 105 -1.226 4.353 11.115 1.00 1.27 C ATOM 2110 CG MET B 105 -2.388 3.408 10.867 1.00 1.26 C ATOM 2111 SD MET B 105 -2.738 2.335 12.273 1.00 1.64 S ATOM 2112 CE MET B 105 -4.120 1.393 11.635 1.00 1.78 C ATOM 0 H MET B 105 0.852 5.529 11.740 1.00 1.21 H new ATOM 0 HA MET B 105 0.139 2.798 11.709 1.00 1.20 H new ATOM 0 HB2 MET B 105 -1.351 4.819 12.092 1.00 1.27 H new ATOM 0 HB3 MET B 105 -1.255 5.152 10.374 1.00 1.27 H new ATOM 0 HG2 MET B 105 -3.279 3.991 10.631 1.00 1.26 H new ATOM 0 HG3 MET B 105 -2.169 2.793 9.994 1.00 1.26 H new ATOM 0 HE1 MET B 105 -4.545 0.784 12.433 1.00 1.78 H new ATOM 0 HE2 MET B 105 -4.881 2.075 11.255 1.00 1.78 H new ATOM 0 HE3 MET B 105 -3.777 0.746 10.828 1.00 1.78 H new ATOM 2122 N PHE B 106 1.192 4.025 8.892 1.00 1.06 N ATOM 2123 CA PHE B 106 1.537 3.705 7.507 1.00 1.02 C ATOM 2124 C PHE B 106 2.631 2.646 7.434 1.00 0.94 C ATOM 2125 O PHE B 106 2.928 2.133 6.355 1.00 0.87 O ATOM 2126 CB PHE B 106 1.998 4.961 6.762 1.00 1.07 C ATOM 2127 CG PHE B 106 0.880 5.853 6.311 1.00 1.15 C ATOM 2128 CD1 PHE B 106 0.040 5.461 5.281 1.00 1.28 C ATOM 2129 CD2 PHE B 106 0.670 7.082 6.912 1.00 1.30 C ATOM 2130 CE1 PHE B 106 -0.989 6.280 4.859 1.00 1.47 C ATOM 2131 CE2 PHE B 106 -0.356 7.907 6.495 1.00 1.45 C ATOM 2132 CZ PHE B 106 -1.188 7.505 5.468 1.00 1.49 C ATOM 0 H PHE B 106 1.579 4.906 9.230 1.00 1.06 H new ATOM 0 HA PHE B 106 0.638 3.310 7.033 1.00 1.02 H new ATOM 0 HB2 PHE B 106 2.663 5.531 7.411 1.00 1.07 H new ATOM 0 HB3 PHE B 106 2.581 4.660 5.892 1.00 1.07 H new ATOM 0 HD1 PHE B 106 0.192 4.505 4.803 1.00 1.28 H new ATOM 0 HD2 PHE B 106 1.316 7.400 7.717 1.00 1.30 H new ATOM 0 HE1 PHE B 106 -1.637 5.964 4.055 1.00 1.47 H new ATOM 0 HE2 PHE B 106 -0.508 8.865 6.971 1.00 1.45 H new ATOM 0 HZ PHE B 106 -1.993 8.147 5.141 1.00 1.49 H new ATOM 2142 N LEU B 107 3.213 2.319 8.584 1.00 0.98 N ATOM 2143 CA LEU B 107 4.288 1.334 8.659 1.00 0.93 C ATOM 2144 C LEU B 107 3.873 0.002 8.041 1.00 0.89 C ATOM 2145 O LEU B 107 4.580 -0.536 7.196 1.00 0.84 O ATOM 2146 CB LEU B 107 4.709 1.119 10.115 1.00 1.01 C ATOM 2147 CG LEU B 107 6.089 0.487 10.318 1.00 0.95 C ATOM 2148 CD1 LEU B 107 7.188 1.451 9.896 1.00 0.94 C ATOM 2149 CD2 LEU B 107 6.273 0.078 11.771 1.00 1.08 C ATOM 0 H LEU B 107 2.956 2.725 9.484 1.00 0.98 H new ATOM 0 HA LEU B 107 5.132 1.724 8.090 1.00 0.93 H new ATOM 0 HB2 LEU B 107 4.691 2.082 10.626 1.00 1.01 H new ATOM 0 HB3 LEU B 107 3.965 0.487 10.600 1.00 1.01 H new ATOM 0 HG LEU B 107 6.155 -0.403 9.693 1.00 0.95 H new ATOM 0 HD11 LEU B 107 8.161 0.983 10.048 1.00 0.94 H new ATOM 0 HD12 LEU B 107 7.067 1.702 8.842 1.00 0.94 H new ATOM 0 HD13 LEU B 107 7.125 2.359 10.495 1.00 0.94 H new ATOM 0 HD21 LEU B 107 7.258 -0.370 11.901 1.00 1.08 H new ATOM 0 HD22 LEU B 107 6.187 0.957 12.410 1.00 1.08 H new ATOM 0 HD23 LEU B 107 5.506 -0.647 12.045 1.00 1.08 H new ATOM 2161 N ASP B 108 2.715 -0.506 8.444 1.00 0.96 N ATOM 2162 CA ASP B 108 2.214 -1.787 7.941 1.00 0.96 C ATOM 2163 C ASP B 108 2.053 -1.768 6.423 1.00 0.90 C ATOM 2164 O ASP B 108 2.434 -2.713 5.732 1.00 0.88 O ATOM 2165 CB ASP B 108 0.869 -2.125 8.602 1.00 1.09 C ATOM 2166 CG ASP B 108 0.181 -3.323 7.970 1.00 1.08 C ATOM 2167 OD1 ASP B 108 0.796 -4.406 7.908 1.00 1.22 O ATOM 2168 OD2 ASP B 108 -0.988 -3.190 7.545 1.00 1.40 O ATOM 0 H ASP B 108 2.101 -0.052 9.120 1.00 0.96 H new ATOM 0 HA ASP B 108 2.947 -2.553 8.194 1.00 0.96 H new ATOM 0 HB2 ASP B 108 1.031 -2.323 9.662 1.00 1.09 H new ATOM 0 HB3 ASP B 108 0.211 -1.259 8.537 1.00 1.09 H new ATOM 2173 N GLN B 109 1.524 -0.669 5.910 1.00 0.91 N ATOM 2174 CA GLN B 109 1.283 -0.525 4.481 1.00 0.90 C ATOM 2175 C GLN B 109 2.579 -0.495 3.667 1.00 0.86 C ATOM 2176 O GLN B 109 2.687 -1.174 2.644 1.00 0.91 O ATOM 2177 CB GLN B 109 0.475 0.746 4.213 1.00 0.96 C ATOM 2178 CG GLN B 109 0.278 1.050 2.735 1.00 0.92 C ATOM 2179 CD GLN B 109 -0.767 2.115 2.498 1.00 1.16 C ATOM 2180 OE1 GLN B 109 -1.951 1.814 2.358 1.00 1.34 O ATOM 2181 NE2 GLN B 109 -0.339 3.366 2.443 1.00 1.66 N ATOM 0 H GLN B 109 1.251 0.142 6.465 1.00 0.91 H new ATOM 0 HA GLN B 109 0.719 -1.401 4.161 1.00 0.90 H new ATOM 0 HB2 GLN B 109 -0.502 0.651 4.688 1.00 0.96 H new ATOM 0 HB3 GLN B 109 0.978 1.591 4.684 1.00 0.96 H new ATOM 0 HG2 GLN B 109 1.226 1.373 2.304 1.00 0.92 H new ATOM 0 HG3 GLN B 109 -0.014 0.137 2.215 1.00 0.92 H new ATOM 0 HE21 GLN B 109 0.653 3.572 2.565 1.00 1.66 H new ATOM 0 HE22 GLN B 109 -1.001 4.125 2.279 1.00 1.66 H new ATOM 2190 N VAL B 110 3.556 0.283 4.113 1.00 0.80 N ATOM 2191 CA VAL B 110 4.814 0.405 3.383 1.00 0.79 C ATOM 2192 C VAL B 110 5.751 -0.778 3.633 1.00 0.76 C ATOM 2193 O VAL B 110 6.480 -1.194 2.733 1.00 0.79 O ATOM 2194 CB VAL B 110 5.545 1.728 3.709 1.00 0.80 C ATOM 2195 CG1 VAL B 110 4.734 2.917 3.213 1.00 0.91 C ATOM 2196 CG2 VAL B 110 5.821 1.861 5.199 1.00 0.75 C ATOM 0 H VAL B 110 3.505 0.835 4.969 1.00 0.80 H new ATOM 0 HA VAL B 110 4.544 0.407 2.327 1.00 0.79 H new ATOM 0 HB VAL B 110 6.505 1.713 3.193 1.00 0.80 H new ATOM 0 HG11 VAL B 110 5.261 3.841 3.450 1.00 0.91 H new ATOM 0 HG12 VAL B 110 4.600 2.842 2.134 1.00 0.91 H new ATOM 0 HG13 VAL B 110 3.759 2.921 3.700 1.00 0.91 H new ATOM 0 HG21 VAL B 110 6.336 2.802 5.391 1.00 0.75 H new ATOM 0 HG22 VAL B 110 4.879 1.844 5.747 1.00 0.75 H new ATOM 0 HG23 VAL B 110 6.447 1.032 5.529 1.00 0.75 H new ATOM 2206 N ALA B 111 5.721 -1.330 4.839 1.00 0.75 N ATOM 2207 CA ALA B 111 6.583 -2.456 5.178 1.00 0.75 C ATOM 2208 C ALA B 111 6.187 -3.702 4.401 1.00 0.75 C ATOM 2209 O ALA B 111 7.044 -4.390 3.849 1.00 0.75 O ATOM 2210 CB ALA B 111 6.554 -2.738 6.674 1.00 0.77 C ATOM 0 H ALA B 111 5.112 -1.019 5.596 1.00 0.75 H new ATOM 0 HA ALA B 111 7.601 -2.185 4.898 1.00 0.75 H new ATOM 0 HB1 ALA B 111 7.206 -3.583 6.898 1.00 0.77 H new ATOM 0 HB2 ALA B 111 6.900 -1.859 7.217 1.00 0.77 H new ATOM 0 HB3 ALA B 111 5.535 -2.975 6.980 1.00 0.77 H new ATOM 2216 N LYS B 112 4.887 -3.977 4.349 1.00 0.76 N ATOM 2217 CA LYS B 112 4.377 -5.149 3.643 1.00 0.77 C ATOM 2218 C LYS B 112 4.761 -5.117 2.168 1.00 0.78 C ATOM 2219 O LYS B 112 5.058 -6.156 1.582 1.00 0.83 O ATOM 2220 CB LYS B 112 2.859 -5.255 3.794 1.00 0.80 C ATOM 2221 CG LYS B 112 2.421 -5.798 5.144 1.00 0.85 C ATOM 2222 CD LYS B 112 1.462 -6.969 4.990 1.00 0.93 C ATOM 2223 CE LYS B 112 0.988 -7.489 6.340 1.00 1.04 C ATOM 2224 NZ LYS B 112 -0.064 -6.623 6.937 1.00 1.14 N ATOM 0 H LYS B 112 4.166 -3.404 4.788 1.00 0.76 H new ATOM 0 HA LYS B 112 4.834 -6.030 4.093 1.00 0.77 H new ATOM 0 HB2 LYS B 112 2.417 -4.269 3.647 1.00 0.80 H new ATOM 0 HB3 LYS B 112 2.468 -5.900 3.007 1.00 0.80 H new ATOM 0 HG2 LYS B 112 3.296 -6.115 5.711 1.00 0.85 H new ATOM 0 HG3 LYS B 112 1.940 -5.006 5.717 1.00 0.85 H new ATOM 0 HD2 LYS B 112 0.602 -6.659 4.397 1.00 0.93 H new ATOM 0 HD3 LYS B 112 1.954 -7.773 4.443 1.00 0.93 H new ATOM 0 HE2 LYS B 112 0.600 -8.501 6.222 1.00 1.04 H new ATOM 0 HE3 LYS B 112 1.836 -7.551 7.022 1.00 1.04 H new ATOM 0 HZ1 LYS B 112 -0.332 -6.996 7.870 1.00 1.14 H new ATOM 0 HZ2 LYS B 112 0.302 -5.655 7.043 1.00 1.14 H new ATOM 0 HZ3 LYS B 112 -0.898 -6.611 6.316 1.00 1.14 H new ATOM 2238 N PHE B 113 4.762 -3.924 1.579 1.00 0.78 N ATOM 2239 CA PHE B 113 5.126 -3.766 0.174 1.00 0.83 C ATOM 2240 C PHE B 113 6.570 -4.216 -0.033 1.00 0.84 C ATOM 2241 O PHE B 113 6.879 -4.958 -0.966 1.00 0.95 O ATOM 2242 CB PHE B 113 4.958 -2.306 -0.271 1.00 0.87 C ATOM 2243 CG PHE B 113 4.633 -2.147 -1.735 1.00 1.11 C ATOM 2244 CD1 PHE B 113 5.497 -2.618 -2.713 1.00 1.29 C ATOM 2245 CD2 PHE B 113 3.456 -1.528 -2.133 1.00 1.76 C ATOM 2246 CE1 PHE B 113 5.198 -2.468 -4.055 1.00 1.57 C ATOM 2247 CE2 PHE B 113 3.155 -1.377 -3.474 1.00 2.06 C ATOM 2248 CZ PHE B 113 4.026 -1.851 -4.435 1.00 1.78 C ATOM 0 H PHE B 113 4.515 -3.054 2.052 1.00 0.78 H new ATOM 0 HA PHE B 113 4.463 -4.384 -0.432 1.00 0.83 H new ATOM 0 HB2 PHE B 113 4.166 -1.845 0.319 1.00 0.87 H new ATOM 0 HB3 PHE B 113 5.876 -1.762 -0.052 1.00 0.87 H new ATOM 0 HD1 PHE B 113 6.415 -3.108 -2.423 1.00 1.29 H new ATOM 0 HD2 PHE B 113 2.768 -1.160 -1.387 1.00 1.76 H new ATOM 0 HE1 PHE B 113 5.883 -2.834 -4.805 1.00 1.57 H new ATOM 0 HE2 PHE B 113 2.239 -0.888 -3.770 1.00 2.06 H new ATOM 0 HZ PHE B 113 3.789 -1.738 -5.483 1.00 1.78 H new ATOM 2258 N ILE B 114 7.447 -3.770 0.861 1.00 0.75 N ATOM 2259 CA ILE B 114 8.854 -4.132 0.796 1.00 0.79 C ATOM 2260 C ILE B 114 9.025 -5.620 1.074 1.00 0.85 C ATOM 2261 O ILE B 114 9.790 -6.310 0.396 1.00 0.93 O ATOM 2262 CB ILE B 114 9.690 -3.336 1.817 1.00 0.76 C ATOM 2263 CG1 ILE B 114 9.493 -1.831 1.621 1.00 0.72 C ATOM 2264 CG2 ILE B 114 11.161 -3.703 1.695 1.00 0.89 C ATOM 2265 CD1 ILE B 114 10.099 -0.999 2.730 1.00 0.69 C ATOM 0 H ILE B 114 7.205 -3.157 1.639 1.00 0.75 H new ATOM 0 HA ILE B 114 9.207 -3.894 -0.207 1.00 0.79 H new ATOM 0 HB ILE B 114 9.349 -3.596 2.819 1.00 0.76 H new ATOM 0 HG12 ILE B 114 9.936 -1.534 0.670 1.00 0.72 H new ATOM 0 HG13 ILE B 114 8.426 -1.616 1.557 1.00 0.72 H new ATOM 0 HG21 ILE B 114 11.740 -3.133 2.422 1.00 0.89 H new ATOM 0 HG22 ILE B 114 11.287 -4.769 1.886 1.00 0.89 H new ATOM 0 HG23 ILE B 114 11.512 -3.470 0.690 1.00 0.89 H new ATOM 0 HD11 ILE B 114 9.924 0.058 2.529 1.00 0.69 H new ATOM 0 HD12 ILE B 114 9.639 -1.269 3.680 1.00 0.69 H new ATOM 0 HD13 ILE B 114 11.172 -1.186 2.780 1.00 0.69 H new ATOM 2277 N ILE B 115 8.294 -6.101 2.071 1.00 0.84 N ATOM 2278 CA ILE B 115 8.339 -7.503 2.464 1.00 0.90 C ATOM 2279 C ILE B 115 8.001 -8.414 1.290 1.00 0.98 C ATOM 2280 O ILE B 115 8.744 -9.344 0.999 1.00 1.05 O ATOM 2281 CB ILE B 115 7.370 -7.796 3.633 1.00 0.89 C ATOM 2282 CG1 ILE B 115 7.888 -7.154 4.920 1.00 0.91 C ATOM 2283 CG2 ILE B 115 7.185 -9.297 3.826 1.00 0.95 C ATOM 2284 CD1 ILE B 115 6.909 -7.224 6.075 1.00 0.95 C ATOM 0 H ILE B 115 7.656 -5.533 2.628 1.00 0.84 H new ATOM 0 HA ILE B 115 9.358 -7.706 2.793 1.00 0.90 H new ATOM 0 HB ILE B 115 6.399 -7.365 3.389 1.00 0.89 H new ATOM 0 HG12 ILE B 115 8.816 -7.645 5.212 1.00 0.91 H new ATOM 0 HG13 ILE B 115 8.129 -6.109 4.723 1.00 0.91 H new ATOM 0 HG21 ILE B 115 6.499 -9.476 4.654 1.00 0.95 H new ATOM 0 HG22 ILE B 115 6.775 -9.733 2.915 1.00 0.95 H new ATOM 0 HG23 ILE B 115 8.148 -9.757 4.047 1.00 0.95 H new ATOM 0 HD11 ILE B 115 7.347 -6.748 6.953 1.00 0.95 H new ATOM 0 HD12 ILE B 115 5.988 -6.707 5.804 1.00 0.95 H new ATOM 0 HD13 ILE B 115 6.687 -8.267 6.301 1.00 0.95 H new ATOM 2296 N ASP B 116 6.893 -8.128 0.611 1.00 1.03 N ATOM 2297 CA ASP B 116 6.455 -8.938 -0.526 1.00 1.15 C ATOM 2298 C ASP B 116 7.510 -8.976 -1.624 1.00 1.08 C ATOM 2299 O ASP B 116 7.650 -9.975 -2.337 1.00 1.16 O ATOM 2300 CB ASP B 116 5.131 -8.412 -1.084 1.00 1.29 C ATOM 2301 CG ASP B 116 3.978 -9.352 -0.799 1.00 1.56 C ATOM 2302 OD1 ASP B 116 3.975 -9.982 0.283 1.00 1.57 O ATOM 2303 OD2 ASP B 116 3.080 -9.476 -1.655 1.00 2.13 O ATOM 0 H ASP B 116 6.281 -7.341 0.827 1.00 1.03 H new ATOM 0 HA ASP B 116 6.307 -9.956 -0.166 1.00 1.15 H new ATOM 0 HB2 ASP B 116 4.918 -7.435 -0.649 1.00 1.29 H new ATOM 0 HB3 ASP B 116 5.223 -8.269 -2.161 1.00 1.29 H new ATOM 2308 N ASN B 117 8.260 -7.891 -1.746 1.00 0.95 N ATOM 2309 CA ASN B 117 9.316 -7.797 -2.745 1.00 0.93 C ATOM 2310 C ASN B 117 10.491 -8.703 -2.378 1.00 0.95 C ATOM 2311 O ASN B 117 10.864 -9.586 -3.149 1.00 1.00 O ATOM 2312 CB ASN B 117 9.789 -6.347 -2.887 1.00 0.97 C ATOM 2313 CG ASN B 117 11.053 -6.212 -3.719 1.00 1.17 C ATOM 2314 OD1 ASN B 117 10.997 -6.138 -4.944 1.00 1.29 O ATOM 2315 ND2 ASN B 117 12.204 -6.169 -3.058 1.00 1.38 N ATOM 0 H ASN B 117 8.157 -7.060 -1.164 1.00 0.95 H new ATOM 0 HA ASN B 117 8.911 -8.129 -3.701 1.00 0.93 H new ATOM 0 HB2 ASN B 117 8.996 -5.755 -3.344 1.00 0.97 H new ATOM 0 HB3 ASN B 117 9.967 -5.930 -1.896 1.00 0.97 H new ATOM 0 HD21 ASN B 117 13.082 -6.071 -3.568 1.00 1.38 H new ATOM 0 HD22 ASN B 117 12.210 -6.233 -2.040 1.00 1.38 H new ATOM 2322 N THR B 118 11.053 -8.487 -1.191 1.00 1.00 N ATOM 2323 CA THR B 118 12.192 -9.271 -0.720 1.00 1.12 C ATOM 2324 C THR B 118 11.811 -10.741 -0.520 1.00 1.21 C ATOM 2325 O THR B 118 12.633 -11.642 -0.696 1.00 1.37 O ATOM 2326 CB THR B 118 12.745 -8.680 0.590 1.00 1.19 C ATOM 2327 OG1 THR B 118 12.777 -7.247 0.487 1.00 1.29 O ATOM 2328 CG2 THR B 118 14.145 -9.202 0.886 1.00 1.57 C ATOM 0 H THR B 118 10.737 -7.773 -0.535 1.00 1.00 H new ATOM 0 HA THR B 118 12.968 -9.226 -1.484 1.00 1.12 H new ATOM 0 HB THR B 118 12.091 -8.984 1.407 1.00 1.19 H new ATOM 0 HG1 THR B 118 13.623 -6.912 0.850 1.00 1.29 H new ATOM 0 HG21 THR B 118 14.507 -8.766 1.817 1.00 1.57 H new ATOM 0 HG22 THR B 118 14.116 -10.287 0.981 1.00 1.57 H new ATOM 0 HG23 THR B 118 14.816 -8.927 0.072 1.00 1.57 H new ATOM 2336 N LYS B 119 10.557 -10.972 -0.153 1.00 1.22 N ATOM 2337 CA LYS B 119 10.045 -12.320 0.045 1.00 1.37 C ATOM 2338 C LYS B 119 9.964 -13.032 -1.301 1.00 1.41 C ATOM 2339 O LYS B 119 10.060 -14.255 -1.381 1.00 1.65 O ATOM 2340 CB LYS B 119 8.660 -12.251 0.695 1.00 1.44 C ATOM 2341 CG LYS B 119 8.021 -13.598 0.995 1.00 1.57 C ATOM 2342 CD LYS B 119 6.735 -13.425 1.794 1.00 1.83 C ATOM 2343 CE LYS B 119 5.656 -12.718 0.985 1.00 1.82 C ATOM 2344 NZ LYS B 119 4.749 -11.915 1.847 1.00 1.87 N ATOM 0 H LYS B 119 9.871 -10.236 0.015 1.00 1.22 H new ATOM 0 HA LYS B 119 10.714 -12.877 0.701 1.00 1.37 H new ATOM 0 HB2 LYS B 119 8.740 -11.689 1.625 1.00 1.44 H new ATOM 0 HB3 LYS B 119 7.995 -11.689 0.039 1.00 1.44 H new ATOM 0 HG2 LYS B 119 7.807 -14.119 0.062 1.00 1.57 H new ATOM 0 HG3 LYS B 119 8.720 -14.220 1.554 1.00 1.57 H new ATOM 0 HD2 LYS B 119 6.370 -14.402 2.111 1.00 1.83 H new ATOM 0 HD3 LYS B 119 6.943 -12.854 2.699 1.00 1.83 H new ATOM 0 HE2 LYS B 119 6.125 -12.067 0.247 1.00 1.82 H new ATOM 0 HE3 LYS B 119 5.073 -13.457 0.435 1.00 1.82 H new ATOM 0 HZ1 LYS B 119 4.163 -11.295 1.252 1.00 1.87 H new ATOM 0 HZ2 LYS B 119 4.135 -12.552 2.393 1.00 1.87 H new ATOM 0 HZ3 LYS B 119 5.314 -11.335 2.500 1.00 1.87 H new ATOM 2358 N GLY B 120 9.798 -12.242 -2.356 1.00 1.52 N ATOM 2359 CA GLY B 120 9.720 -12.786 -3.692 1.00 1.69 C ATOM 2360 C GLY B 120 8.322 -13.230 -4.062 1.00 1.69 C ATOM 2361 O GLY B 120 8.154 -14.171 -4.834 1.00 2.16 O ATOM 0 H GLY B 120 9.716 -11.227 -2.305 1.00 1.52 H new ATOM 0 HA2 GLY B 120 10.059 -12.035 -4.406 1.00 1.69 H new ATOM 0 HA3 GLY B 120 10.400 -13.634 -3.775 1.00 1.69 H new ATOM 2365 N GLN B 121 7.315 -12.544 -3.536 1.00 1.54 N ATOM 2366 CA GLN B 121 5.925 -12.892 -3.827 1.00 1.83 C ATOM 2367 C GLN B 121 5.602 -12.631 -5.296 1.00 1.53 C ATOM 2368 O GLN B 121 5.029 -13.478 -5.976 1.00 1.76 O ATOM 2369 CB GLN B 121 4.971 -12.103 -2.923 1.00 2.41 C ATOM 2370 CG GLN B 121 3.501 -12.352 -3.226 1.00 3.25 C ATOM 2371 CD GLN B 121 2.737 -12.891 -2.032 1.00 3.93 C ATOM 2372 OE1 GLN B 121 2.601 -14.101 -1.858 1.00 4.44 O ATOM 2373 NE2 GLN B 121 2.236 -11.995 -1.197 1.00 4.31 N ATOM 0 H GLN B 121 7.431 -11.748 -2.909 1.00 1.54 H new ATOM 0 HA GLN B 121 5.791 -13.955 -3.627 1.00 1.83 H new ATOM 0 HB2 GLN B 121 5.169 -12.365 -1.884 1.00 2.41 H new ATOM 0 HB3 GLN B 121 5.180 -11.039 -3.029 1.00 2.41 H new ATOM 0 HG2 GLN B 121 3.040 -11.421 -3.556 1.00 3.25 H new ATOM 0 HG3 GLN B 121 3.420 -13.058 -4.052 1.00 3.25 H new ATOM 0 HE21 GLN B 121 2.370 -11.000 -1.376 1.00 4.31 H new ATOM 0 HE22 GLN B 121 1.716 -12.299 -0.374 1.00 4.31 H new ATOM 2382 N MET B 122 5.988 -11.460 -5.788 1.00 1.52 N ATOM 2383 CA MET B 122 5.737 -11.104 -7.180 1.00 1.72 C ATOM 2384 C MET B 122 6.959 -11.410 -8.040 1.00 1.91 C ATOM 2385 O MET B 122 7.000 -11.083 -9.226 1.00 2.38 O ATOM 2386 CB MET B 122 5.369 -9.623 -7.304 1.00 2.18 C ATOM 2387 CG MET B 122 6.430 -8.678 -6.762 1.00 2.58 C ATOM 2388 SD MET B 122 6.155 -6.968 -7.251 1.00 3.62 S ATOM 2389 CE MET B 122 6.555 -7.050 -9.000 1.00 3.50 C ATOM 0 H MET B 122 6.473 -10.744 -5.248 1.00 1.52 H new ATOM 0 HA MET B 122 4.898 -11.702 -7.534 1.00 1.72 H new ATOM 0 HB2 MET B 122 5.190 -9.390 -8.354 1.00 2.18 H new ATOM 0 HB3 MET B 122 4.433 -9.445 -6.774 1.00 2.18 H new ATOM 0 HG2 MET B 122 6.446 -8.742 -5.674 1.00 2.58 H new ATOM 0 HG3 MET B 122 7.410 -8.999 -7.114 1.00 2.58 H new ATOM 0 HE1 MET B 122 6.763 -6.047 -9.373 1.00 3.50 H new ATOM 0 HE2 MET B 122 7.433 -7.680 -9.143 1.00 3.50 H new ATOM 0 HE3 MET B 122 5.712 -7.473 -9.547 1.00 3.50 H new