USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 955 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 HIS : no HE2:sc= -4.29 K(o=-3.1,f=-4) USER MOD Set 1.2: A 85 SER OG : rot 47:sc= 1.24 USER MOD Set 2.1: A 75 MET CE :methyl 179:sc= -2.82 (180deg=-2.19) USER MOD Set 2.2: A 122 TYR OH : rot -101:sc= -0.289 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.0517 (180deg=-2.1!) USER MOD Single : A 2 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.029) USER MOD Single : A 13 SER OG : rot 180:sc= -0.185 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 13:sc= -0.504 USER MOD Single : A 31 THR OG1 : rot 113:sc= 1.25 USER MOD Single : A 32 THR OG1 : rot 12:sc= 0.472! USER MOD Single : A 35 ASN : amide:sc= -0.254 K(o=-0.25,f=-6.8!) USER MOD Single : A 37 ASN : amide:sc= -0.235 X(o=-0.24,f=-0.13) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -138:sc= -0.0106 (180deg=-0.404) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.744 USER MOD Single : A 53 SER OG : rot 180:sc= -0.152 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -121:sc= -1.16 (180deg=-3.26!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -4.69! C(o=-6!,f=-4.7!) USER MOD Single : A 70 LYS NZ :NH3+ -143:sc= -0.867 (180deg=-1.79!) USER MOD Single : A 71 GLN : amide:sc= -0.0421 X(o=-0.042,f=-0.042) USER MOD Single : A 73 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.4) USER MOD Single : A 81 MET CE :methyl -129:sc= -5.54! (180deg=-9.44!) USER MOD Single : A 82 THR OG1 : rot 100:sc= -0.636 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -145:sc= -2.78! USER MOD Single : A 95 GLN : amide:sc= -1.5 K(o=-1.5,f=-3.2!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot 30:sc= -1.64! USER MOD Single : A 104 LYS NZ :NH3+ -152:sc= -0.185 (180deg=-1.42) USER MOD Single : A 120 SER OG : rot 89:sc= 0.319 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.987 0.448 0.928 1.00 12.53 N ATOM 2 CA MET A 1 1.689 -0.226 -0.330 1.00 53.31 C ATOM 3 C MET A 1 1.966 -1.722 -0.224 1.00 43.13 C ATOM 4 O MET A 1 2.511 -2.191 0.774 1.00 20.34 O ATOM 5 CB MET A 1 2.516 0.379 -1.466 1.00 0.31 C ATOM 6 CG MET A 1 3.987 -0.001 -1.416 1.00 32.40 C ATOM 7 SD MET A 1 5.071 1.346 -1.926 1.00 11.23 S ATOM 8 CE MET A 1 6.328 1.270 -0.652 1.00 14.12 C ATOM 0 H1 MET A 1 1.243 1.145 1.133 1.00 12.53 H new ATOM 0 H2 MET A 1 2.027 -0.252 1.696 1.00 12.53 H new ATOM 0 H3 MET A 1 2.904 0.933 0.853 1.00 12.53 H new ATOM 0 HA MET A 1 0.630 -0.085 -0.547 1.00 53.31 H new ATOM 0 HB2 MET A 1 2.098 0.057 -2.420 1.00 0.31 H new ATOM 0 HB3 MET A 1 2.428 1.465 -1.430 1.00 0.31 H new ATOM 0 HG2 MET A 1 4.245 -0.305 -0.402 1.00 32.40 H new ATOM 0 HG3 MET A 1 4.157 -0.863 -2.061 1.00 32.40 H new ATOM 0 HE1 MET A 1 7.074 2.045 -0.830 1.00 14.12 H new ATOM 0 HE2 MET A 1 5.867 1.427 0.323 1.00 14.12 H new ATOM 0 HE3 MET A 1 6.809 0.292 -0.673 1.00 14.12 H new ATOM 18 N GLN A 2 1.588 -2.464 -1.260 1.00 31.12 N ATOM 19 CA GLN A 2 1.796 -3.907 -1.281 1.00 72.13 C ATOM 20 C GLN A 2 3.078 -4.261 -2.027 1.00 62.30 C ATOM 21 O GLN A 2 3.051 -4.996 -3.015 1.00 13.23 O ATOM 22 CB GLN A 2 0.602 -4.606 -1.935 1.00 3.03 C ATOM 23 CG GLN A 2 0.272 -4.077 -3.321 1.00 71.11 C ATOM 24 CD GLN A 2 -1.149 -3.558 -3.425 1.00 22.44 C ATOM 25 OE1 GLN A 2 -1.884 -3.908 -4.348 1.00 71.42 O ATOM 26 NE2 GLN A 2 -1.543 -2.719 -2.474 1.00 55.25 N ATOM 0 H GLN A 2 1.137 -2.090 -2.095 1.00 31.12 H new ATOM 0 HA GLN A 2 1.890 -4.250 -0.251 1.00 72.13 H new ATOM 0 HB2 GLN A 2 0.809 -5.674 -2.003 1.00 3.03 H new ATOM 0 HB3 GLN A 2 -0.272 -4.491 -1.294 1.00 3.03 H new ATOM 0 HG2 GLN A 2 0.967 -3.276 -3.575 1.00 71.11 H new ATOM 0 HG3 GLN A 2 0.419 -4.871 -4.053 1.00 71.11 H new ATOM 0 HE21 GLN A 2 -0.900 -2.456 -1.727 1.00 55.25 H new ATOM 0 HE22 GLN A 2 -2.489 -2.338 -2.490 1.00 55.25 H new ATOM 35 N ARG A 3 4.200 -3.734 -1.548 1.00 22.20 N ATOM 36 CA ARG A 3 5.493 -3.994 -2.170 1.00 52.45 C ATOM 37 C ARG A 3 5.937 -5.432 -1.922 1.00 20.00 C ATOM 38 O ARG A 3 6.847 -5.934 -2.581 1.00 34.24 O ATOM 39 CB ARG A 3 6.546 -3.023 -1.632 1.00 72.14 C ATOM 40 CG ARG A 3 7.163 -3.463 -0.315 1.00 63.52 C ATOM 41 CD ARG A 3 6.136 -3.473 0.806 1.00 60.30 C ATOM 42 NE ARG A 3 5.571 -2.147 1.042 1.00 72.50 N ATOM 43 CZ ARG A 3 5.008 -1.782 2.188 1.00 10.04 C ATOM 44 NH1 ARG A 3 4.936 -2.638 3.198 1.00 21.31 N ATOM 45 NH2 ARG A 3 4.516 -0.557 2.327 1.00 70.44 N ATOM 0 H ARG A 3 4.240 -3.124 -0.731 1.00 22.20 H new ATOM 0 HA ARG A 3 5.387 -3.846 -3.245 1.00 52.45 H new ATOM 0 HB2 ARG A 3 7.336 -2.910 -2.374 1.00 72.14 H new ATOM 0 HB3 ARG A 3 6.090 -2.042 -1.500 1.00 72.14 H new ATOM 0 HG2 ARG A 3 7.590 -4.459 -0.427 1.00 63.52 H new ATOM 0 HG3 ARG A 3 7.982 -2.793 -0.054 1.00 63.52 H new ATOM 0 HD2 ARG A 3 5.335 -4.169 0.558 1.00 60.30 H new ATOM 0 HD3 ARG A 3 6.602 -3.837 1.722 1.00 60.30 H new ATOM 0 HE ARG A 3 5.611 -1.464 0.285 1.00 72.50 H new ATOM 0 HH11 ARG A 3 5.314 -3.580 3.096 1.00 21.31 H new ATOM 0 HH12 ARG A 3 4.503 -2.354 4.077 1.00 21.31 H new ATOM 0 HH21 ARG A 3 4.570 0.105 1.553 1.00 70.44 H new ATOM 0 HH22 ARG A 3 4.084 -0.278 3.208 1.00 70.44 H new ATOM 59 N GLY A 4 5.288 -6.090 -0.966 1.00 1.23 N ATOM 60 CA GLY A 4 5.631 -7.463 -0.647 1.00 34.44 C ATOM 61 C GLY A 4 4.436 -8.262 -0.164 1.00 53.15 C ATOM 62 O GLY A 4 3.949 -8.053 0.947 1.00 10.21 O ATOM 0 H GLY A 4 4.531 -5.696 -0.407 1.00 1.23 H new ATOM 0 HA2 GLY A 4 6.053 -7.943 -1.530 1.00 34.44 H new ATOM 0 HA3 GLY A 4 6.405 -7.472 0.121 1.00 34.44 H new ATOM 66 N ILE A 5 3.961 -9.178 -1.002 1.00 41.52 N ATOM 67 CA ILE A 5 2.815 -10.009 -0.655 1.00 24.11 C ATOM 68 C ILE A 5 3.250 -11.246 0.124 1.00 70.35 C ATOM 69 O ILE A 5 4.250 -11.883 -0.209 1.00 75.24 O ATOM 70 CB ILE A 5 2.040 -10.452 -1.910 1.00 23.01 C ATOM 71 CG1 ILE A 5 1.445 -9.237 -2.624 1.00 1.43 C ATOM 72 CG2 ILE A 5 0.947 -11.441 -1.535 1.00 72.23 C ATOM 73 CD1 ILE A 5 1.041 -9.514 -4.055 1.00 33.44 C ATOM 0 H ILE A 5 4.352 -9.363 -1.926 1.00 41.52 H new ATOM 0 HA ILE A 5 2.161 -9.400 -0.031 1.00 24.11 H new ATOM 0 HB ILE A 5 2.732 -10.947 -2.591 1.00 23.01 H new ATOM 0 HG12 ILE A 5 0.573 -8.891 -2.069 1.00 1.43 H new ATOM 0 HG13 ILE A 5 2.173 -8.426 -2.611 1.00 1.43 H new ATOM 0 HG21 ILE A 5 0.408 -11.745 -2.432 1.00 72.23 H new ATOM 0 HG22 ILE A 5 1.395 -12.317 -1.066 1.00 72.23 H new ATOM 0 HG23 ILE A 5 0.254 -10.970 -0.837 1.00 72.23 H new ATOM 0 HD11 ILE A 5 0.628 -8.608 -4.498 1.00 33.44 H new ATOM 0 HD12 ILE A 5 1.915 -9.831 -4.625 1.00 33.44 H new ATOM 0 HD13 ILE A 5 0.289 -10.303 -4.075 1.00 33.44 H new ATOM 85 N VAL A 6 2.491 -11.582 1.162 1.00 72.54 N ATOM 86 CA VAL A 6 2.795 -12.746 1.986 1.00 2.45 C ATOM 87 C VAL A 6 1.656 -13.758 1.950 1.00 64.52 C ATOM 88 O VAL A 6 0.514 -13.434 2.273 1.00 75.43 O ATOM 89 CB VAL A 6 3.062 -12.342 3.449 1.00 60.22 C ATOM 90 CG1 VAL A 6 3.749 -13.474 4.198 1.00 11.21 C ATOM 91 CG2 VAL A 6 3.895 -11.071 3.507 1.00 52.42 C ATOM 0 H VAL A 6 1.661 -11.065 1.452 1.00 72.54 H new ATOM 0 HA VAL A 6 3.694 -13.202 1.572 1.00 2.45 H new ATOM 0 HB VAL A 6 2.106 -12.145 3.934 1.00 60.22 H new ATOM 0 HG11 VAL A 6 3.930 -13.171 5.229 1.00 11.21 H new ATOM 0 HG12 VAL A 6 3.111 -14.358 4.186 1.00 11.21 H new ATOM 0 HG13 VAL A 6 4.699 -13.705 3.716 1.00 11.21 H new ATOM 0 HG21 VAL A 6 4.074 -10.800 4.548 1.00 52.42 H new ATOM 0 HG22 VAL A 6 4.849 -11.238 3.006 1.00 52.42 H new ATOM 0 HG23 VAL A 6 3.360 -10.262 3.009 1.00 52.42 H new ATOM 101 N TRP A 7 1.976 -14.985 1.555 1.00 22.51 N ATOM 102 CA TRP A 7 0.979 -16.047 1.477 1.00 61.13 C ATOM 103 C TRP A 7 1.119 -17.013 2.648 1.00 22.01 C ATOM 104 O TRP A 7 2.229 -17.378 3.035 1.00 5.33 O ATOM 105 CB TRP A 7 1.115 -16.805 0.155 1.00 34.53 C ATOM 106 CG TRP A 7 0.689 -16.003 -1.037 1.00 15.25 C ATOM 107 CD1 TRP A 7 0.093 -14.774 -1.027 1.00 13.04 C ATOM 108 CD2 TRP A 7 0.824 -16.374 -2.413 1.00 21.14 C ATOM 109 NE1 TRP A 7 -0.150 -14.359 -2.314 1.00 13.02 N ATOM 110 CE2 TRP A 7 0.290 -15.322 -3.182 1.00 71.24 C ATOM 111 CE3 TRP A 7 1.346 -17.491 -3.070 1.00 25.35 C ATOM 112 CZ2 TRP A 7 0.263 -15.358 -4.574 1.00 41.20 C ATOM 113 CZ3 TRP A 7 1.319 -17.525 -4.451 1.00 31.33 C ATOM 114 CH2 TRP A 7 0.781 -16.464 -5.191 1.00 22.00 C ATOM 0 H TRP A 7 2.917 -15.269 1.284 1.00 22.51 H new ATOM 0 HA TRP A 7 -0.009 -15.589 1.526 1.00 61.13 H new ATOM 0 HB2 TRP A 7 2.153 -17.111 0.025 1.00 34.53 H new ATOM 0 HB3 TRP A 7 0.518 -17.715 0.204 1.00 34.53 H new ATOM 0 HD1 TRP A 7 -0.151 -14.211 -0.138 1.00 13.04 H new ATOM 0 HE1 TRP A 7 -0.587 -13.477 -2.580 1.00 13.02 H new ATOM 0 HE3 TRP A 7 1.763 -18.314 -2.508 1.00 25.35 H new ATOM 0 HZ2 TRP A 7 -0.152 -14.542 -5.146 1.00 41.20 H new ATOM 0 HZ3 TRP A 7 1.719 -18.384 -4.969 1.00 31.33 H new ATOM 0 HH2 TRP A 7 0.775 -16.520 -6.270 1.00 22.00 H new ATOM 125 N VAL A 8 -0.013 -17.425 3.209 1.00 15.41 N ATOM 126 CA VAL A 8 -0.016 -18.350 4.336 1.00 54.21 C ATOM 127 C VAL A 8 -0.708 -19.658 3.971 1.00 61.43 C ATOM 128 O VAL A 8 -1.664 -19.673 3.195 1.00 44.22 O ATOM 129 CB VAL A 8 -0.717 -17.737 5.563 1.00 4.04 C ATOM 130 CG1 VAL A 8 -0.717 -18.720 6.724 1.00 1.12 C ATOM 131 CG2 VAL A 8 -0.047 -16.430 5.961 1.00 72.12 C ATOM 0 H VAL A 8 -0.940 -17.133 2.901 1.00 15.41 H new ATOM 0 HA VAL A 8 1.026 -18.550 4.584 1.00 54.21 H new ATOM 0 HB VAL A 8 -1.753 -17.523 5.299 1.00 4.04 H new ATOM 0 HG11 VAL A 8 -1.216 -18.270 7.582 1.00 1.12 H new ATOM 0 HG12 VAL A 8 -1.245 -19.628 6.432 1.00 1.12 H new ATOM 0 HG13 VAL A 8 0.310 -18.968 6.991 1.00 1.12 H new ATOM 0 HG21 VAL A 8 -0.555 -16.011 6.829 1.00 72.12 H new ATOM 0 HG22 VAL A 8 0.998 -16.617 6.207 1.00 72.12 H new ATOM 0 HG23 VAL A 8 -0.104 -15.725 5.132 1.00 72.12 H new ATOM 141 N VAL A 9 -0.219 -20.758 4.536 1.00 43.31 N ATOM 142 CA VAL A 9 -0.790 -22.073 4.271 1.00 15.44 C ATOM 143 C VAL A 9 -0.672 -22.979 5.492 1.00 51.14 C ATOM 144 O VAL A 9 0.365 -23.013 6.154 1.00 62.11 O ATOM 145 CB VAL A 9 -0.104 -22.752 3.072 1.00 24.41 C ATOM 146 CG1 VAL A 9 1.323 -23.144 3.425 1.00 2.22 C ATOM 147 CG2 VAL A 9 -0.901 -23.966 2.619 1.00 15.21 C ATOM 0 H VAL A 9 0.572 -20.764 5.180 1.00 43.31 H new ATOM 0 HA VAL A 9 -1.843 -21.920 4.037 1.00 15.44 H new ATOM 0 HB VAL A 9 -0.067 -22.041 2.247 1.00 24.41 H new ATOM 0 HG11 VAL A 9 1.792 -23.623 2.565 1.00 2.22 H new ATOM 0 HG12 VAL A 9 1.888 -22.253 3.697 1.00 2.22 H new ATOM 0 HG13 VAL A 9 1.312 -23.838 4.266 1.00 2.22 H new ATOM 0 HG21 VAL A 9 -0.401 -24.433 1.771 1.00 15.21 H new ATOM 0 HG22 VAL A 9 -0.971 -24.682 3.438 1.00 15.21 H new ATOM 0 HG23 VAL A 9 -1.903 -23.654 2.323 1.00 15.21 H new ATOM 157 N ASP A 10 -1.741 -23.712 5.783 1.00 41.11 N ATOM 158 CA ASP A 10 -1.757 -24.621 6.923 1.00 10.22 C ATOM 159 C ASP A 10 -3.046 -25.437 6.949 1.00 4.15 C ATOM 160 O ASP A 10 -4.004 -25.125 6.243 1.00 13.31 O ATOM 161 CB ASP A 10 -1.608 -23.838 8.229 1.00 63.03 C ATOM 162 CG ASP A 10 -1.442 -24.745 9.432 1.00 61.20 C ATOM 163 OD1 ASP A 10 -0.626 -25.688 9.356 1.00 13.51 O ATOM 164 OD2 ASP A 10 -2.128 -24.513 10.449 1.00 34.34 O ATOM 0 H ASP A 10 -2.608 -23.694 5.245 1.00 41.11 H new ATOM 0 HA ASP A 10 -0.916 -25.307 6.822 1.00 10.22 H new ATOM 0 HB2 ASP A 10 -0.746 -23.175 8.156 1.00 63.03 H new ATOM 0 HB3 ASP A 10 -2.484 -23.206 8.372 1.00 63.03 H new ATOM 169 N ASP A 11 -3.060 -26.484 7.767 1.00 12.44 N ATOM 170 CA ASP A 11 -4.231 -27.345 7.886 1.00 61.12 C ATOM 171 C ASP A 11 -5.228 -26.773 8.889 1.00 44.42 C ATOM 172 O ASP A 11 -6.387 -27.185 8.931 1.00 22.04 O ATOM 173 CB ASP A 11 -3.813 -28.754 8.311 1.00 51.24 C ATOM 174 CG ASP A 11 -4.617 -29.832 7.610 1.00 4.22 C ATOM 175 OD1 ASP A 11 -4.212 -30.249 6.505 1.00 21.22 O ATOM 176 OD2 ASP A 11 -5.651 -30.258 8.167 1.00 44.43 O ATOM 0 H ASP A 11 -2.274 -26.757 8.357 1.00 12.44 H new ATOM 0 HA ASP A 11 -4.714 -27.396 6.910 1.00 61.12 H new ATOM 0 HB2 ASP A 11 -2.754 -28.896 8.095 1.00 51.24 H new ATOM 0 HB3 ASP A 11 -3.935 -28.857 9.389 1.00 51.24 H new ATOM 181 N ASP A 12 -4.768 -25.822 9.695 1.00 51.45 N ATOM 182 CA ASP A 12 -5.619 -25.192 10.698 1.00 71.23 C ATOM 183 C ASP A 12 -6.059 -23.804 10.244 1.00 43.24 C ATOM 184 O ASP A 12 -5.288 -23.069 9.626 1.00 11.11 O ATOM 185 CB ASP A 12 -4.882 -25.096 12.034 1.00 14.35 C ATOM 186 CG ASP A 12 -5.182 -26.269 12.947 1.00 63.25 C ATOM 187 OD1 ASP A 12 -4.679 -27.378 12.670 1.00 20.22 O ATOM 188 OD2 ASP A 12 -5.920 -26.079 13.936 1.00 5.33 O ATOM 0 H ASP A 12 -3.811 -25.471 9.673 1.00 51.45 H new ATOM 0 HA ASP A 12 -6.507 -25.810 10.825 1.00 71.23 H new ATOM 0 HB2 ASP A 12 -3.809 -25.047 11.851 1.00 14.35 H new ATOM 0 HB3 ASP A 12 -5.162 -24.169 12.534 1.00 14.35 H new ATOM 193 N SER A 13 -7.303 -23.452 10.553 1.00 44.21 N ATOM 194 CA SER A 13 -7.847 -22.153 10.172 1.00 24.54 C ATOM 195 C SER A 13 -7.303 -21.051 11.076 1.00 40.23 C ATOM 196 O SER A 13 -6.795 -20.036 10.598 1.00 22.35 O ATOM 197 CB SER A 13 -9.375 -22.177 10.241 1.00 62.42 C ATOM 198 OG SER A 13 -9.946 -21.592 9.083 1.00 33.45 O ATOM 0 H SER A 13 -7.953 -24.048 11.066 1.00 44.21 H new ATOM 0 HA SER A 13 -7.540 -21.944 9.147 1.00 24.54 H new ATOM 0 HB2 SER A 13 -9.722 -23.205 10.342 1.00 62.42 H new ATOM 0 HB3 SER A 13 -9.711 -21.639 11.128 1.00 62.42 H new ATOM 0 HG SER A 13 -10.923 -21.621 9.150 1.00 33.45 H new ATOM 204 N SER A 14 -7.414 -21.258 12.384 1.00 11.30 N ATOM 205 CA SER A 14 -6.938 -20.280 13.356 1.00 63.33 C ATOM 206 C SER A 14 -5.454 -19.989 13.151 1.00 72.04 C ATOM 207 O SER A 14 -4.950 -18.949 13.575 1.00 14.23 O ATOM 208 CB SER A 14 -7.178 -20.786 14.779 1.00 23.44 C ATOM 209 OG SER A 14 -6.287 -21.840 15.103 1.00 1.11 O ATOM 0 H SER A 14 -7.829 -22.094 12.795 1.00 11.30 H new ATOM 0 HA SER A 14 -7.496 -19.355 13.208 1.00 63.33 H new ATOM 0 HB2 SER A 14 -7.049 -19.967 15.486 1.00 23.44 H new ATOM 0 HB3 SER A 14 -8.207 -21.133 14.876 1.00 23.44 H new ATOM 0 HG SER A 14 -6.460 -22.145 16.018 1.00 1.11 H new ATOM 215 N ILE A 15 -4.761 -20.915 12.497 1.00 21.12 N ATOM 216 CA ILE A 15 -3.336 -20.758 12.234 1.00 23.15 C ATOM 217 C ILE A 15 -3.089 -19.718 11.147 1.00 5.34 C ATOM 218 O ILE A 15 -2.214 -18.862 11.281 1.00 41.53 O ATOM 219 CB ILE A 15 -2.691 -22.091 11.810 1.00 53.11 C ATOM 220 CG1 ILE A 15 -2.635 -23.056 12.996 1.00 44.30 C ATOM 221 CG2 ILE A 15 -1.298 -21.850 11.249 1.00 62.33 C ATOM 222 CD1 ILE A 15 -1.821 -22.535 14.160 1.00 14.13 C ATOM 0 H ILE A 15 -5.163 -21.782 12.140 1.00 21.12 H new ATOM 0 HA ILE A 15 -2.879 -20.423 13.165 1.00 23.15 H new ATOM 0 HB ILE A 15 -3.303 -22.542 11.029 1.00 53.11 H new ATOM 0 HG12 ILE A 15 -3.650 -23.261 13.336 1.00 44.30 H new ATOM 0 HG13 ILE A 15 -2.213 -24.004 12.663 1.00 44.30 H new ATOM 0 HG21 ILE A 15 -0.855 -22.801 10.954 1.00 62.33 H new ATOM 0 HG22 ILE A 15 -1.364 -21.195 10.380 1.00 62.33 H new ATOM 0 HG23 ILE A 15 -0.675 -21.381 12.011 1.00 62.33 H new ATOM 0 HD11 ILE A 15 -1.825 -23.270 14.965 1.00 14.13 H new ATOM 0 HD12 ILE A 15 -0.796 -22.357 13.836 1.00 14.13 H new ATOM 0 HD13 ILE A 15 -2.255 -21.602 14.519 1.00 14.13 H new ATOM 234 N ARG A 16 -3.866 -19.797 10.072 1.00 0.15 N ATOM 235 CA ARG A 16 -3.732 -18.862 8.962 1.00 10.41 C ATOM 236 C ARG A 16 -4.436 -17.544 9.273 1.00 32.10 C ATOM 237 O ARG A 16 -4.093 -16.500 8.719 1.00 51.13 O ATOM 238 CB ARG A 16 -4.308 -19.470 7.682 1.00 30.43 C ATOM 239 CG ARG A 16 -5.811 -19.290 7.545 1.00 60.10 C ATOM 240 CD ARG A 16 -6.440 -20.435 6.766 1.00 15.52 C ATOM 241 NE ARG A 16 -7.500 -19.972 5.874 1.00 41.33 N ATOM 242 CZ ARG A 16 -8.666 -19.500 6.300 1.00 32.21 C ATOM 243 NH1 ARG A 16 -8.921 -19.429 7.599 1.00 33.23 N ATOM 244 NH2 ARG A 16 -9.580 -19.098 5.426 1.00 32.12 N ATOM 0 H ARG A 16 -4.595 -20.499 9.946 1.00 0.15 H new ATOM 0 HA ARG A 16 -2.671 -18.662 8.815 1.00 10.41 H new ATOM 0 HB2 ARG A 16 -3.816 -19.017 6.821 1.00 30.43 H new ATOM 0 HB3 ARG A 16 -4.074 -20.534 7.658 1.00 30.43 H new ATOM 0 HG2 ARG A 16 -6.263 -19.230 8.535 1.00 60.10 H new ATOM 0 HG3 ARG A 16 -6.021 -18.347 7.041 1.00 60.10 H new ATOM 0 HD2 ARG A 16 -5.671 -20.942 6.183 1.00 15.52 H new ATOM 0 HD3 ARG A 16 -6.847 -21.168 7.463 1.00 15.52 H new ATOM 0 HE ARG A 16 -7.336 -20.013 4.868 1.00 41.33 H new ATOM 0 HH11 ARG A 16 -8.221 -19.737 8.274 1.00 33.23 H new ATOM 0 HH12 ARG A 16 -9.817 -19.066 7.924 1.00 33.23 H new ATOM 0 HH21 ARG A 16 -9.387 -19.151 4.426 1.00 32.12 H new ATOM 0 HH22 ARG A 16 -10.475 -18.736 5.754 1.00 32.12 H new ATOM 258 N TRP A 17 -5.421 -17.602 10.162 1.00 55.55 N ATOM 259 CA TRP A 17 -6.174 -16.413 10.546 1.00 53.24 C ATOM 260 C TRP A 17 -5.256 -15.361 11.159 1.00 70.51 C ATOM 261 O TRP A 17 -5.176 -14.233 10.673 1.00 34.11 O ATOM 262 CB TRP A 17 -7.280 -16.782 11.536 1.00 71.12 C ATOM 263 CG TRP A 17 -7.923 -15.591 12.179 1.00 34.12 C ATOM 264 CD1 TRP A 17 -8.884 -14.785 11.637 1.00 64.50 C ATOM 265 CD2 TRP A 17 -7.651 -15.071 13.485 1.00 41.00 C ATOM 266 NE1 TRP A 17 -9.225 -13.796 12.527 1.00 5.21 N ATOM 267 CE2 TRP A 17 -8.483 -13.949 13.669 1.00 72.44 C ATOM 268 CE3 TRP A 17 -6.787 -15.445 14.518 1.00 43.54 C ATOM 269 CZ2 TRP A 17 -8.474 -13.200 14.842 1.00 44.10 C ATOM 270 CZ3 TRP A 17 -6.778 -14.699 15.681 1.00 31.54 C ATOM 271 CH2 TRP A 17 -7.617 -13.588 15.836 1.00 35.24 C ATOM 0 H TRP A 17 -5.717 -18.459 10.630 1.00 55.55 H new ATOM 0 HA TRP A 17 -6.626 -15.994 9.647 1.00 53.24 H new ATOM 0 HB2 TRP A 17 -8.043 -17.362 11.017 1.00 71.12 H new ATOM 0 HB3 TRP A 17 -6.864 -17.424 12.312 1.00 71.12 H new ATOM 0 HD1 TRP A 17 -9.313 -14.908 10.653 1.00 64.50 H new ATOM 0 HE1 TRP A 17 -9.918 -13.066 12.364 1.00 5.21 H new ATOM 0 HE3 TRP A 17 -6.138 -16.302 14.409 1.00 43.54 H new ATOM 0 HZ2 TRP A 17 -9.120 -12.343 14.963 1.00 44.10 H new ATOM 0 HZ3 TRP A 17 -6.112 -14.977 16.485 1.00 31.54 H new ATOM 0 HH2 TRP A 17 -7.587 -13.027 16.758 1.00 35.24 H new ATOM 282 N VAL A 18 -4.563 -15.739 12.229 1.00 15.51 N ATOM 283 CA VAL A 18 -3.649 -14.828 12.908 1.00 53.11 C ATOM 284 C VAL A 18 -2.665 -14.203 11.925 1.00 33.32 C ATOM 285 O VAL A 18 -2.316 -13.028 12.041 1.00 14.35 O ATOM 286 CB VAL A 18 -2.862 -15.548 14.018 1.00 5.15 C ATOM 287 CG1 VAL A 18 -3.689 -15.632 15.292 1.00 73.12 C ATOM 288 CG2 VAL A 18 -2.436 -16.934 13.557 1.00 52.53 C ATOM 0 H VAL A 18 -4.617 -16.669 12.644 1.00 15.51 H new ATOM 0 HA VAL A 18 -4.258 -14.043 13.356 1.00 53.11 H new ATOM 0 HB VAL A 18 -1.964 -14.970 14.234 1.00 5.15 H new ATOM 0 HG11 VAL A 18 -3.116 -16.144 16.065 1.00 73.12 H new ATOM 0 HG12 VAL A 18 -3.938 -14.626 15.631 1.00 73.12 H new ATOM 0 HG13 VAL A 18 -4.607 -16.186 15.094 1.00 73.12 H new ATOM 0 HG21 VAL A 18 -1.881 -17.428 14.354 1.00 52.53 H new ATOM 0 HG22 VAL A 18 -3.319 -17.523 13.311 1.00 52.53 H new ATOM 0 HG23 VAL A 18 -1.802 -16.845 12.675 1.00 52.53 H new ATOM 298 N LEU A 19 -2.221 -14.997 10.957 1.00 40.42 N ATOM 299 CA LEU A 19 -1.276 -14.522 9.952 1.00 55.35 C ATOM 300 C LEU A 19 -1.982 -13.673 8.899 1.00 14.32 C ATOM 301 O LEU A 19 -1.343 -12.920 8.165 1.00 12.44 O ATOM 302 CB LEU A 19 -0.576 -15.705 9.282 1.00 23.32 C ATOM 303 CG LEU A 19 0.622 -16.289 10.033 1.00 13.43 C ATOM 304 CD1 LEU A 19 0.953 -17.679 9.513 1.00 52.43 C ATOM 305 CD2 LEU A 19 1.828 -15.369 9.910 1.00 61.44 C ATOM 0 H LEU A 19 -2.500 -15.972 10.847 1.00 40.42 H new ATOM 0 HA LEU A 19 -0.532 -13.903 10.453 1.00 55.35 H new ATOM 0 HB2 LEU A 19 -1.308 -16.498 9.134 1.00 23.32 H new ATOM 0 HB3 LEU A 19 -0.242 -15.391 8.293 1.00 23.32 H new ATOM 0 HG LEU A 19 0.360 -16.372 11.088 1.00 13.43 H new ATOM 0 HD11 LEU A 19 1.808 -18.078 10.059 1.00 52.43 H new ATOM 0 HD12 LEU A 19 0.094 -18.335 9.655 1.00 52.43 H new ATOM 0 HD13 LEU A 19 1.195 -17.622 8.452 1.00 52.43 H new ATOM 0 HD21 LEU A 19 2.671 -15.800 10.450 1.00 61.44 H new ATOM 0 HD22 LEU A 19 2.092 -15.253 8.859 1.00 61.44 H new ATOM 0 HD23 LEU A 19 1.586 -14.394 10.333 1.00 61.44 H new ATOM 317 N GLU A 20 -3.304 -13.799 8.834 1.00 51.15 N ATOM 318 CA GLU A 20 -4.096 -13.042 7.872 1.00 53.54 C ATOM 319 C GLU A 20 -4.336 -11.618 8.366 1.00 54.24 C ATOM 320 O GLU A 20 -4.238 -10.659 7.600 1.00 55.13 O ATOM 321 CB GLU A 20 -5.435 -13.738 7.619 1.00 70.00 C ATOM 322 CG GLU A 20 -5.754 -13.928 6.146 1.00 63.24 C ATOM 323 CD GLU A 20 -7.118 -14.549 5.919 1.00 35.13 C ATOM 324 OE1 GLU A 20 -7.468 -15.497 6.654 1.00 4.20 O ATOM 325 OE2 GLU A 20 -7.837 -14.088 5.008 1.00 20.11 O ATOM 0 H GLU A 20 -3.848 -14.417 9.435 1.00 51.15 H new ATOM 0 HA GLU A 20 -3.537 -12.995 6.937 1.00 53.54 H new ATOM 0 HB2 GLU A 20 -5.427 -14.712 8.109 1.00 70.00 H new ATOM 0 HB3 GLU A 20 -6.231 -13.155 8.082 1.00 70.00 H new ATOM 0 HG2 GLU A 20 -5.710 -12.963 5.641 1.00 63.24 H new ATOM 0 HG3 GLU A 20 -4.991 -14.560 5.692 1.00 63.24 H new ATOM 332 N ARG A 21 -4.652 -11.489 9.650 1.00 2.22 N ATOM 333 CA ARG A 21 -4.908 -10.183 10.247 1.00 61.44 C ATOM 334 C ARG A 21 -3.658 -9.310 10.201 1.00 25.00 C ATOM 335 O ARG A 21 -3.742 -8.084 10.271 1.00 24.31 O ATOM 336 CB ARG A 21 -5.379 -10.343 11.693 1.00 24.54 C ATOM 337 CG ARG A 21 -6.397 -11.456 11.883 1.00 52.41 C ATOM 338 CD ARG A 21 -7.508 -11.376 10.847 1.00 23.40 C ATOM 339 NE ARG A 21 -7.996 -10.011 10.672 1.00 73.33 N ATOM 340 CZ ARG A 21 -8.708 -9.615 9.623 1.00 52.42 C ATOM 341 NH1 ARG A 21 -9.013 -10.475 8.661 1.00 53.41 N ATOM 342 NH2 ARG A 21 -9.117 -8.355 9.535 1.00 70.33 N ATOM 0 H ARG A 21 -4.737 -12.273 10.297 1.00 2.22 H new ATOM 0 HA ARG A 21 -5.693 -9.695 9.669 1.00 61.44 H new ATOM 0 HB2 ARG A 21 -4.515 -10.540 12.328 1.00 24.54 H new ATOM 0 HB3 ARG A 21 -5.814 -9.402 12.030 1.00 24.54 H new ATOM 0 HG2 ARG A 21 -5.899 -12.423 11.810 1.00 52.41 H new ATOM 0 HG3 ARG A 21 -6.825 -11.392 12.883 1.00 52.41 H new ATOM 0 HD2 ARG A 21 -7.142 -11.755 9.893 1.00 23.40 H new ATOM 0 HD3 ARG A 21 -8.333 -12.020 11.150 1.00 23.40 H new ATOM 0 HE ARG A 21 -7.778 -9.324 11.394 1.00 73.33 H new ATOM 0 HH11 ARG A 21 -8.701 -11.444 8.725 1.00 53.41 H new ATOM 0 HH12 ARG A 21 -9.560 -10.168 7.857 1.00 53.41 H new ATOM 0 HH21 ARG A 21 -8.884 -7.691 10.273 1.00 70.33 H new ATOM 0 HH22 ARG A 21 -9.664 -8.051 8.729 1.00 70.33 H new ATOM 356 N ALA A 22 -2.499 -9.950 10.084 1.00 62.34 N ATOM 357 CA ALA A 22 -1.232 -9.232 10.027 1.00 24.22 C ATOM 358 C ALA A 22 -1.230 -8.209 8.896 1.00 31.33 C ATOM 359 O ALA A 22 -1.050 -7.013 9.128 1.00 45.03 O ATOM 360 CB ALA A 22 -0.078 -10.210 9.859 1.00 51.04 C ATOM 0 H ALA A 22 -2.412 -10.965 10.027 1.00 62.34 H new ATOM 0 HA ALA A 22 -1.105 -8.695 10.967 1.00 24.22 H new ATOM 0 HB1 ALA A 22 0.862 -9.660 9.818 1.00 51.04 H new ATOM 0 HB2 ALA A 22 -0.059 -10.899 10.704 1.00 51.04 H new ATOM 0 HB3 ALA A 22 -0.210 -10.773 8.935 1.00 51.04 H new ATOM 366 N LEU A 23 -1.432 -8.686 7.673 1.00 24.51 N ATOM 367 CA LEU A 23 -1.453 -7.813 6.505 1.00 40.11 C ATOM 368 C LEU A 23 -2.833 -7.191 6.315 1.00 61.31 C ATOM 369 O LEU A 23 -2.968 -6.131 5.705 1.00 73.44 O ATOM 370 CB LEU A 23 -1.056 -8.595 5.251 1.00 13.15 C ATOM 371 CG LEU A 23 0.071 -9.614 5.425 1.00 53.34 C ATOM 372 CD1 LEU A 23 0.580 -10.082 4.070 1.00 12.12 C ATOM 373 CD2 LEU A 23 1.205 -9.019 6.246 1.00 23.44 C ATOM 0 H LEU A 23 -1.584 -9.673 7.464 1.00 24.51 H new ATOM 0 HA LEU A 23 -0.733 -7.011 6.668 1.00 40.11 H new ATOM 0 HB2 LEU A 23 -1.937 -9.118 4.879 1.00 13.15 H new ATOM 0 HB3 LEU A 23 -0.759 -7.882 4.481 1.00 13.15 H new ATOM 0 HG LEU A 23 -0.324 -10.477 5.960 1.00 53.34 H new ATOM 0 HD11 LEU A 23 1.382 -10.807 4.213 1.00 12.12 H new ATOM 0 HD12 LEU A 23 -0.235 -10.547 3.516 1.00 12.12 H new ATOM 0 HD13 LEU A 23 0.959 -9.228 3.509 1.00 12.12 H new ATOM 0 HD21 LEU A 23 1.998 -9.758 6.360 1.00 23.44 H new ATOM 0 HD22 LEU A 23 1.599 -8.139 5.738 1.00 23.44 H new ATOM 0 HD23 LEU A 23 0.831 -8.733 7.229 1.00 23.44 H new ATOM 385 N ALA A 24 -3.854 -7.857 6.844 1.00 71.43 N ATOM 386 CA ALA A 24 -5.223 -7.368 6.736 1.00 20.31 C ATOM 387 C ALA A 24 -5.313 -5.898 7.132 1.00 74.42 C ATOM 388 O ALA A 24 -6.023 -5.118 6.499 1.00 42.51 O ATOM 389 CB ALA A 24 -6.153 -8.208 7.600 1.00 42.42 C ATOM 0 H ALA A 24 -3.759 -8.737 7.352 1.00 71.43 H new ATOM 0 HA ALA A 24 -5.534 -7.456 5.695 1.00 20.31 H new ATOM 0 HB1 ALA A 24 -7.172 -7.832 7.510 1.00 42.42 H new ATOM 0 HB2 ALA A 24 -6.119 -9.246 7.269 1.00 42.42 H new ATOM 0 HB3 ALA A 24 -5.835 -8.149 8.641 1.00 42.42 H new ATOM 395 N GLY A 25 -4.590 -5.528 8.184 1.00 11.22 N ATOM 396 CA GLY A 25 -4.604 -4.152 8.647 1.00 62.35 C ATOM 397 C GLY A 25 -3.589 -3.288 7.925 1.00 3.02 C ATOM 398 O GLY A 25 -3.689 -2.062 7.936 1.00 44.52 O ATOM 0 H GLY A 25 -3.995 -6.156 8.724 1.00 11.22 H new ATOM 0 HA2 GLY A 25 -5.600 -3.734 8.504 1.00 62.35 H new ATOM 0 HA3 GLY A 25 -4.400 -4.130 9.717 1.00 62.35 H new ATOM 402 N ALA A 26 -2.608 -3.929 7.298 1.00 5.42 N ATOM 403 CA ALA A 26 -1.570 -3.210 6.568 1.00 31.35 C ATOM 404 C ALA A 26 -1.909 -3.115 5.085 1.00 44.13 C ATOM 405 O ALA A 26 -3.030 -3.408 4.674 1.00 75.03 O ATOM 406 CB ALA A 26 -0.222 -3.889 6.762 1.00 74.52 C ATOM 0 H ALA A 26 -2.510 -4.944 7.281 1.00 5.42 H new ATOM 0 HA ALA A 26 -1.514 -2.197 6.967 1.00 31.35 H new ATOM 0 HB1 ALA A 26 0.544 -3.342 6.212 1.00 74.52 H new ATOM 0 HB2 ALA A 26 0.031 -3.899 7.822 1.00 74.52 H new ATOM 0 HB3 ALA A 26 -0.274 -4.913 6.391 1.00 74.52 H new ATOM 412 N GLY A 27 -0.930 -2.702 4.284 1.00 12.14 N ATOM 413 CA GLY A 27 -1.145 -2.574 2.855 1.00 71.41 C ATOM 414 C GLY A 27 -0.490 -3.692 2.068 1.00 3.11 C ATOM 415 O GLY A 27 0.169 -3.446 1.057 1.00 50.13 O ATOM 0 H GLY A 27 0.008 -2.454 4.600 1.00 12.14 H new ATOM 0 HA2 GLY A 27 -2.216 -2.569 2.651 1.00 71.41 H new ATOM 0 HA3 GLY A 27 -0.751 -1.616 2.516 1.00 71.41 H new ATOM 419 N LEU A 28 -0.668 -4.924 2.533 1.00 41.44 N ATOM 420 CA LEU A 28 -0.087 -6.084 1.866 1.00 31.22 C ATOM 421 C LEU A 28 -1.124 -7.190 1.696 1.00 51.21 C ATOM 422 O LEU A 28 -1.929 -7.445 2.592 1.00 13.12 O ATOM 423 CB LEU A 28 1.109 -6.609 2.663 1.00 74.01 C ATOM 424 CG LEU A 28 1.588 -5.725 3.815 1.00 53.01 C ATOM 425 CD1 LEU A 28 2.552 -6.489 4.709 1.00 62.13 C ATOM 426 CD2 LEU A 28 2.242 -4.460 3.280 1.00 43.24 C ATOM 0 H LEU A 28 -1.210 -5.145 3.369 1.00 41.44 H new ATOM 0 HA LEU A 28 0.251 -5.773 0.878 1.00 31.22 H new ATOM 0 HB2 LEU A 28 0.850 -7.588 3.066 1.00 74.01 H new ATOM 0 HB3 LEU A 28 1.941 -6.758 1.975 1.00 74.01 H new ATOM 0 HG LEU A 28 0.722 -5.438 4.412 1.00 53.01 H new ATOM 0 HD11 LEU A 28 2.882 -5.844 5.523 1.00 62.13 H new ATOM 0 HD12 LEU A 28 2.050 -7.365 5.121 1.00 62.13 H new ATOM 0 HD13 LEU A 28 3.416 -6.807 4.125 1.00 62.13 H new ATOM 0 HD21 LEU A 28 2.577 -3.843 4.114 1.00 43.24 H new ATOM 0 HD22 LEU A 28 3.098 -4.727 2.660 1.00 43.24 H new ATOM 0 HD23 LEU A 28 1.521 -3.902 2.683 1.00 43.24 H new ATOM 438 N THR A 29 -1.098 -7.846 0.540 1.00 41.22 N ATOM 439 CA THR A 29 -2.034 -8.925 0.252 1.00 53.20 C ATOM 440 C THR A 29 -1.695 -10.176 1.054 1.00 65.14 C ATOM 441 O THR A 29 -0.523 -10.478 1.284 1.00 1.13 O ATOM 442 CB THR A 29 -2.043 -9.276 -1.248 1.00 23.23 C ATOM 443 OG1 THR A 29 -2.127 -8.080 -2.031 1.00 32.23 O ATOM 444 CG2 THR A 29 -3.211 -10.191 -1.583 1.00 20.24 C ATOM 0 H THR A 29 -0.438 -7.648 -0.212 1.00 41.22 H new ATOM 0 HA THR A 29 -3.024 -8.570 0.540 1.00 53.20 H new ATOM 0 HB THR A 29 -1.115 -9.798 -1.482 1.00 23.23 H new ATOM 0 HG1 THR A 29 -2.130 -8.312 -2.983 1.00 32.23 H new ATOM 0 HG21 THR A 29 -3.196 -10.425 -2.648 1.00 20.24 H new ATOM 0 HG22 THR A 29 -3.128 -11.113 -1.008 1.00 20.24 H new ATOM 0 HG23 THR A 29 -4.147 -9.692 -1.334 1.00 20.24 H new ATOM 452 N CYS A 30 -2.725 -10.901 1.475 1.00 41.21 N ATOM 453 CA CYS A 30 -2.535 -12.121 2.252 1.00 41.24 C ATOM 454 C CYS A 30 -3.425 -13.243 1.728 1.00 70.03 C ATOM 455 O CYS A 30 -4.647 -13.200 1.872 1.00 74.20 O ATOM 456 CB CYS A 30 -2.836 -11.862 3.729 1.00 41.05 C ATOM 457 SG CYS A 30 -1.721 -12.714 4.869 1.00 12.33 S ATOM 0 H CYS A 30 -3.700 -10.666 1.292 1.00 41.21 H new ATOM 0 HA CYS A 30 -1.495 -12.429 2.150 1.00 41.24 H new ATOM 0 HB2 CYS A 30 -2.781 -10.790 3.917 1.00 41.05 H new ATOM 0 HB3 CYS A 30 -3.860 -12.171 3.940 1.00 41.05 H new ATOM 0 HG CYS A 30 -0.700 -13.178 4.212 1.00 12.33 H new ATOM 463 N THR A 31 -2.804 -14.248 1.117 1.00 54.54 N ATOM 464 CA THR A 31 -3.540 -15.380 0.568 1.00 1.13 C ATOM 465 C THR A 31 -3.420 -16.602 1.471 1.00 71.40 C ATOM 466 O THR A 31 -2.317 -17.042 1.797 1.00 44.34 O ATOM 467 CB THR A 31 -3.039 -15.746 -0.842 1.00 4.25 C ATOM 468 OG1 THR A 31 -3.029 -14.582 -1.676 1.00 10.15 O ATOM 469 CG2 THR A 31 -3.918 -16.817 -1.468 1.00 35.34 C ATOM 0 H THR A 31 -1.793 -14.301 0.990 1.00 54.54 H new ATOM 0 HA THR A 31 -4.585 -15.078 0.506 1.00 1.13 H new ATOM 0 HB THR A 31 -2.026 -16.137 -0.753 1.00 4.25 H new ATOM 0 HG1 THR A 31 -2.104 -14.346 -1.897 1.00 10.15 H new ATOM 0 HG21 THR A 31 -3.544 -17.059 -2.463 1.00 35.34 H new ATOM 0 HG22 THR A 31 -3.900 -17.712 -0.846 1.00 35.34 H new ATOM 0 HG23 THR A 31 -4.941 -16.449 -1.544 1.00 35.34 H new ATOM 477 N THR A 32 -4.563 -17.150 1.873 1.00 50.10 N ATOM 478 CA THR A 32 -4.586 -18.322 2.739 1.00 51.02 C ATOM 479 C THR A 32 -4.895 -19.586 1.945 1.00 71.12 C ATOM 480 O THR A 32 -5.870 -19.637 1.195 1.00 72.41 O ATOM 481 CB THR A 32 -5.627 -18.169 3.864 1.00 50.11 C ATOM 482 OG1 THR A 32 -6.948 -18.335 3.336 1.00 45.05 O ATOM 483 CG2 THR A 32 -5.509 -16.806 4.528 1.00 1.45 C ATOM 0 H THR A 32 -5.485 -16.800 1.612 1.00 50.10 H new ATOM 0 HA THR A 32 -3.594 -18.407 3.182 1.00 51.02 H new ATOM 0 HB THR A 32 -5.436 -18.938 4.612 1.00 50.11 H new ATOM 0 HG1 THR A 32 -6.894 -18.698 2.427 1.00 45.05 H new ATOM 0 HG21 THR A 32 -6.254 -16.721 5.319 1.00 1.45 H new ATOM 0 HG22 THR A 32 -4.512 -16.694 4.955 1.00 1.45 H new ATOM 0 HG23 THR A 32 -5.676 -16.024 3.787 1.00 1.45 H new ATOM 491 N PHE A 33 -4.059 -20.605 2.115 1.00 40.05 N ATOM 492 CA PHE A 33 -4.243 -21.870 1.413 1.00 71.01 C ATOM 493 C PHE A 33 -4.517 -23.003 2.397 1.00 31.15 C ATOM 494 O PHE A 33 -4.662 -22.774 3.598 1.00 64.22 O ATOM 495 CB PHE A 33 -3.006 -22.197 0.573 1.00 13.34 C ATOM 496 CG PHE A 33 -2.784 -21.241 -0.564 1.00 11.23 C ATOM 497 CD1 PHE A 33 -3.349 -21.479 -1.806 1.00 40.44 C ATOM 498 CD2 PHE A 33 -2.011 -20.104 -0.390 1.00 22.42 C ATOM 499 CE1 PHE A 33 -3.145 -20.601 -2.854 1.00 73.15 C ATOM 500 CE2 PHE A 33 -1.804 -19.223 -1.434 1.00 50.12 C ATOM 501 CZ PHE A 33 -2.373 -19.471 -2.668 1.00 30.21 C ATOM 0 H PHE A 33 -3.248 -20.580 2.733 1.00 40.05 H new ATOM 0 HA PHE A 33 -5.105 -21.768 0.753 1.00 71.01 H new ATOM 0 HB2 PHE A 33 -2.127 -22.193 1.218 1.00 13.34 H new ATOM 0 HB3 PHE A 33 -3.104 -23.207 0.174 1.00 13.34 H new ATOM 0 HD1 PHE A 33 -3.955 -22.360 -1.957 1.00 40.44 H new ATOM 0 HD2 PHE A 33 -1.565 -19.904 0.573 1.00 22.42 H new ATOM 0 HE1 PHE A 33 -3.589 -20.799 -3.818 1.00 73.15 H new ATOM 0 HE2 PHE A 33 -1.198 -18.341 -1.285 1.00 50.12 H new ATOM 0 HZ PHE A 33 -2.215 -18.783 -3.485 1.00 30.21 H new ATOM 511 N GLU A 34 -4.588 -24.225 1.879 1.00 23.33 N ATOM 512 CA GLU A 34 -4.846 -25.394 2.712 1.00 1.24 C ATOM 513 C GLU A 34 -4.070 -26.606 2.205 1.00 72.00 C ATOM 514 O GLU A 34 -4.367 -27.743 2.569 1.00 10.12 O ATOM 515 CB GLU A 34 -6.343 -25.708 2.740 1.00 52.43 C ATOM 516 CG GLU A 34 -6.958 -25.862 1.359 1.00 50.23 C ATOM 517 CD GLU A 34 -8.470 -25.971 1.402 1.00 22.41 C ATOM 518 OE1 GLU A 34 -9.050 -25.756 2.487 1.00 60.44 O ATOM 519 OE2 GLU A 34 -9.073 -26.272 0.350 1.00 25.13 O ATOM 0 H GLU A 34 -4.471 -24.431 0.887 1.00 23.33 H new ATOM 0 HA GLU A 34 -4.511 -25.168 3.724 1.00 1.24 H new ATOM 0 HB2 GLU A 34 -6.503 -26.627 3.304 1.00 52.43 H new ATOM 0 HB3 GLU A 34 -6.863 -24.912 3.273 1.00 52.43 H new ATOM 0 HG2 GLU A 34 -6.677 -25.008 0.743 1.00 50.23 H new ATOM 0 HG3 GLU A 34 -6.547 -26.750 0.879 1.00 50.23 H new ATOM 526 N ASN A 35 -3.075 -26.353 1.361 1.00 60.40 N ATOM 527 CA ASN A 35 -2.257 -27.423 0.802 1.00 62.41 C ATOM 528 C ASN A 35 -1.022 -26.858 0.107 1.00 2.55 C ATOM 529 O ASN A 35 -1.131 -26.074 -0.835 1.00 23.12 O ATOM 530 CB ASN A 35 -3.075 -28.256 -0.187 1.00 52.21 C ATOM 531 CG ASN A 35 -2.281 -29.409 -0.768 1.00 63.51 C ATOM 532 OD1 ASN A 35 -1.110 -29.599 -0.439 1.00 65.02 O ATOM 533 ND2 ASN A 35 -2.916 -30.187 -1.637 1.00 40.23 N ATOM 0 H ASN A 35 -2.816 -25.417 1.049 1.00 60.40 H new ATOM 0 HA ASN A 35 -1.930 -28.062 1.622 1.00 62.41 H new ATOM 0 HB2 ASN A 35 -3.960 -28.645 0.316 1.00 52.21 H new ATOM 0 HB3 ASN A 35 -3.424 -27.615 -0.996 1.00 52.21 H new ATOM 0 HD21 ASN A 35 -2.433 -30.979 -2.061 1.00 40.23 H new ATOM 0 HD22 ASN A 35 -3.887 -29.993 -1.881 1.00 40.23 H new ATOM 540 N GLY A 36 0.154 -27.261 0.580 1.00 34.23 N ATOM 541 CA GLY A 36 1.392 -26.785 -0.007 1.00 25.21 C ATOM 542 C GLY A 36 1.436 -26.983 -1.509 1.00 55.31 C ATOM 543 O GLY A 36 1.857 -26.093 -2.247 1.00 14.22 O ATOM 0 H GLY A 36 0.271 -27.909 1.359 1.00 34.23 H new ATOM 0 HA2 GLY A 36 1.515 -25.726 0.220 1.00 25.21 H new ATOM 0 HA3 GLY A 36 2.232 -27.308 0.450 1.00 25.21 H new ATOM 547 N ASN A 37 1.000 -28.153 -1.963 1.00 61.43 N ATOM 548 CA ASN A 37 0.993 -28.466 -3.388 1.00 11.22 C ATOM 549 C ASN A 37 0.130 -27.471 -4.159 1.00 22.05 C ATOM 550 O ASN A 37 0.283 -27.310 -5.369 1.00 31.12 O ATOM 551 CB ASN A 37 0.478 -29.888 -3.617 1.00 24.44 C ATOM 552 CG ASN A 37 0.051 -30.125 -5.052 1.00 44.14 C ATOM 553 OD1 ASN A 37 0.875 -30.437 -5.913 1.00 55.42 O ATOM 554 ND2 ASN A 37 -1.241 -29.977 -5.317 1.00 75.10 N ATOM 0 H ASN A 37 0.647 -28.900 -1.365 1.00 61.43 H new ATOM 0 HA ASN A 37 2.017 -28.394 -3.755 1.00 11.22 H new ATOM 0 HB2 ASN A 37 1.258 -30.601 -3.351 1.00 24.44 H new ATOM 0 HB3 ASN A 37 -0.366 -30.077 -2.954 1.00 24.44 H new ATOM 0 HD21 ASN A 37 -1.587 -30.123 -6.265 1.00 75.10 H new ATOM 0 HD22 ASN A 37 -1.888 -29.718 -4.572 1.00 75.10 H new ATOM 561 N GLU A 38 -0.775 -26.806 -3.448 1.00 33.23 N ATOM 562 CA GLU A 38 -1.662 -25.827 -4.066 1.00 31.34 C ATOM 563 C GLU A 38 -1.037 -24.436 -4.042 1.00 43.53 C ATOM 564 O GLU A 38 -1.476 -23.533 -4.756 1.00 23.34 O ATOM 565 CB GLU A 38 -3.012 -25.804 -3.346 1.00 54.22 C ATOM 566 CG GLU A 38 -4.203 -25.751 -4.289 1.00 12.05 C ATOM 567 CD GLU A 38 -5.520 -26.003 -3.580 1.00 2.44 C ATOM 568 OE1 GLU A 38 -6.012 -25.079 -2.899 1.00 13.52 O ATOM 569 OE2 GLU A 38 -6.057 -27.123 -3.705 1.00 13.40 O ATOM 0 H GLU A 38 -0.913 -26.927 -2.445 1.00 33.23 H new ATOM 0 HA GLU A 38 -1.817 -26.119 -5.105 1.00 31.34 H new ATOM 0 HB2 GLU A 38 -3.095 -26.691 -2.719 1.00 54.22 H new ATOM 0 HB3 GLU A 38 -3.046 -24.940 -2.682 1.00 54.22 H new ATOM 0 HG2 GLU A 38 -4.236 -24.775 -4.772 1.00 12.05 H new ATOM 0 HG3 GLU A 38 -4.071 -26.492 -5.077 1.00 12.05 H new ATOM 576 N VAL A 39 -0.009 -24.269 -3.216 1.00 44.13 N ATOM 577 CA VAL A 39 0.678 -22.988 -3.099 1.00 62.23 C ATOM 578 C VAL A 39 1.819 -22.882 -4.105 1.00 60.51 C ATOM 579 O VAL A 39 2.036 -21.830 -4.707 1.00 14.44 O ATOM 580 CB VAL A 39 1.239 -22.780 -1.680 1.00 11.51 C ATOM 581 CG1 VAL A 39 1.614 -21.322 -1.463 1.00 4.41 C ATOM 582 CG2 VAL A 39 0.232 -23.240 -0.637 1.00 21.32 C ATOM 0 H VAL A 39 0.367 -25.005 -2.618 1.00 44.13 H new ATOM 0 HA VAL A 39 -0.060 -22.213 -3.308 1.00 62.23 H new ATOM 0 HB VAL A 39 2.141 -23.383 -1.572 1.00 11.51 H new ATOM 0 HG11 VAL A 39 2.008 -21.194 -0.455 1.00 4.41 H new ATOM 0 HG12 VAL A 39 2.372 -21.029 -2.189 1.00 4.41 H new ATOM 0 HG13 VAL A 39 0.730 -20.696 -1.589 1.00 4.41 H new ATOM 0 HG21 VAL A 39 0.645 -23.086 0.360 1.00 21.32 H new ATOM 0 HG22 VAL A 39 -0.688 -22.665 -0.742 1.00 21.32 H new ATOM 0 HG23 VAL A 39 0.017 -24.299 -0.781 1.00 21.32 H new ATOM 592 N LEU A 40 2.546 -23.980 -4.284 1.00 1.21 N ATOM 593 CA LEU A 40 3.666 -24.012 -5.218 1.00 51.23 C ATOM 594 C LEU A 40 3.249 -23.481 -6.586 1.00 42.51 C ATOM 595 O LEU A 40 3.957 -22.678 -7.193 1.00 42.22 O ATOM 596 CB LEU A 40 4.202 -25.438 -5.354 1.00 72.12 C ATOM 597 CG LEU A 40 4.825 -25.795 -6.704 1.00 73.31 C ATOM 598 CD1 LEU A 40 5.946 -24.827 -7.048 1.00 11.13 C ATOM 599 CD2 LEU A 40 5.339 -27.227 -6.692 1.00 24.33 C ATOM 0 H LEU A 40 2.380 -24.859 -3.795 1.00 1.21 H new ATOM 0 HA LEU A 40 4.454 -23.370 -4.824 1.00 51.23 H new ATOM 0 HB2 LEU A 40 4.950 -25.599 -4.577 1.00 72.12 H new ATOM 0 HB3 LEU A 40 3.385 -26.132 -5.159 1.00 72.12 H new ATOM 0 HG LEU A 40 4.055 -25.713 -7.471 1.00 73.31 H new ATOM 0 HD11 LEU A 40 6.377 -25.097 -8.012 1.00 11.13 H new ATOM 0 HD12 LEU A 40 5.548 -23.813 -7.100 1.00 11.13 H new ATOM 0 HD13 LEU A 40 6.717 -24.876 -6.279 1.00 11.13 H new ATOM 0 HD21 LEU A 40 5.779 -27.464 -7.661 1.00 24.33 H new ATOM 0 HD22 LEU A 40 6.095 -27.336 -5.914 1.00 24.33 H new ATOM 0 HD23 LEU A 40 4.512 -27.909 -6.493 1.00 24.33 H new ATOM 611 N ALA A 41 2.094 -23.933 -7.064 1.00 45.21 N ATOM 612 CA ALA A 41 1.581 -23.500 -8.358 1.00 3.22 C ATOM 613 C ALA A 41 1.126 -22.045 -8.309 1.00 32.31 C ATOM 614 O ALA A 41 1.176 -21.335 -9.313 1.00 31.42 O ATOM 615 CB ALA A 41 0.436 -24.399 -8.799 1.00 31.01 C ATOM 0 H ALA A 41 1.496 -24.599 -6.574 1.00 45.21 H new ATOM 0 HA ALA A 41 2.389 -23.576 -9.086 1.00 3.22 H new ATOM 0 HB1 ALA A 41 0.062 -24.064 -9.767 1.00 31.01 H new ATOM 0 HB2 ALA A 41 0.791 -25.426 -8.883 1.00 31.01 H new ATOM 0 HB3 ALA A 41 -0.367 -24.352 -8.064 1.00 31.01 H new ATOM 621 N ALA A 42 0.681 -21.609 -7.135 1.00 41.52 N ATOM 622 CA ALA A 42 0.218 -20.238 -6.956 1.00 30.23 C ATOM 623 C ALA A 42 1.328 -19.239 -7.263 1.00 50.22 C ATOM 624 O ALA A 42 1.077 -18.167 -7.815 1.00 52.41 O ATOM 625 CB ALA A 42 -0.298 -20.037 -5.539 1.00 14.13 C ATOM 0 H ALA A 42 0.631 -22.185 -6.294 1.00 41.52 H new ATOM 0 HA ALA A 42 -0.598 -20.061 -7.657 1.00 30.23 H new ATOM 0 HB1 ALA A 42 -0.641 -19.009 -5.419 1.00 14.13 H new ATOM 0 HB2 ALA A 42 -1.127 -20.720 -5.353 1.00 14.13 H new ATOM 0 HB3 ALA A 42 0.503 -20.238 -4.828 1.00 14.13 H new ATOM 631 N LEU A 43 2.556 -19.596 -6.903 1.00 14.04 N ATOM 632 CA LEU A 43 3.705 -18.730 -7.140 1.00 2.34 C ATOM 633 C LEU A 43 3.851 -18.412 -8.624 1.00 70.44 C ATOM 634 O LEU A 43 4.216 -17.298 -8.998 1.00 61.22 O ATOM 635 CB LEU A 43 4.983 -19.391 -6.620 1.00 32.01 C ATOM 636 CG LEU A 43 4.843 -20.202 -5.331 1.00 15.51 C ATOM 637 CD1 LEU A 43 6.211 -20.587 -4.791 1.00 0.21 C ATOM 638 CD2 LEU A 43 4.058 -19.416 -4.290 1.00 22.22 C ATOM 0 H LEU A 43 2.781 -20.480 -6.446 1.00 14.04 H new ATOM 0 HA LEU A 43 3.541 -17.796 -6.602 1.00 2.34 H new ATOM 0 HB2 LEU A 43 5.371 -20.048 -7.398 1.00 32.01 H new ATOM 0 HB3 LEU A 43 5.730 -18.614 -6.457 1.00 32.01 H new ATOM 0 HG LEU A 43 4.295 -21.116 -5.557 1.00 15.51 H new ATOM 0 HD11 LEU A 43 6.091 -21.163 -3.874 1.00 0.21 H new ATOM 0 HD12 LEU A 43 6.738 -21.189 -5.531 1.00 0.21 H new ATOM 0 HD13 LEU A 43 6.786 -19.685 -4.580 1.00 0.21 H new ATOM 0 HD21 LEU A 43 3.968 -20.008 -3.379 1.00 22.22 H new ATOM 0 HD22 LEU A 43 4.579 -18.485 -4.068 1.00 22.22 H new ATOM 0 HD23 LEU A 43 3.064 -19.192 -4.677 1.00 22.22 H new ATOM 650 N ALA A 44 3.561 -19.399 -9.466 1.00 61.03 N ATOM 651 CA ALA A 44 3.656 -19.224 -10.910 1.00 53.32 C ATOM 652 C ALA A 44 2.652 -18.187 -11.404 1.00 63.24 C ATOM 653 O ALA A 44 2.727 -17.732 -12.546 1.00 10.25 O ATOM 654 CB ALA A 44 3.437 -20.552 -11.619 1.00 21.44 C ATOM 0 H ALA A 44 3.258 -20.328 -9.173 1.00 61.03 H new ATOM 0 HA ALA A 44 4.658 -18.862 -11.142 1.00 53.32 H new ATOM 0 HB1 ALA A 44 3.511 -20.406 -12.697 1.00 21.44 H new ATOM 0 HB2 ALA A 44 4.195 -21.266 -11.297 1.00 21.44 H new ATOM 0 HB3 ALA A 44 2.448 -20.937 -11.372 1.00 21.44 H new ATOM 660 N SER A 45 1.714 -17.819 -10.538 1.00 74.23 N ATOM 661 CA SER A 45 0.692 -16.839 -10.889 1.00 20.43 C ATOM 662 C SER A 45 1.263 -15.425 -10.861 1.00 25.05 C ATOM 663 O SER A 45 1.459 -14.801 -11.903 1.00 43.44 O ATOM 664 CB SER A 45 -0.494 -16.942 -9.928 1.00 1.34 C ATOM 665 OG SER A 45 -1.569 -16.123 -10.355 1.00 61.52 O ATOM 0 H SER A 45 1.640 -18.184 -9.588 1.00 74.23 H new ATOM 0 HA SER A 45 0.350 -17.054 -11.901 1.00 20.43 H new ATOM 0 HB2 SER A 45 -0.825 -17.978 -9.864 1.00 1.34 H new ATOM 0 HB3 SER A 45 -0.182 -16.645 -8.927 1.00 1.34 H new ATOM 0 HG SER A 45 -2.315 -16.208 -9.725 1.00 61.52 H new ATOM 671 N LYS A 46 1.529 -14.925 -9.659 1.00 2.05 N ATOM 672 CA LYS A 46 2.079 -13.585 -9.491 1.00 64.13 C ATOM 673 C LYS A 46 3.380 -13.626 -8.695 1.00 33.41 C ATOM 674 O LYS A 46 4.109 -12.637 -8.625 1.00 44.21 O ATOM 675 CB LYS A 46 1.066 -12.680 -8.787 1.00 43.31 C ATOM 676 CG LYS A 46 0.426 -13.317 -7.566 1.00 25.20 C ATOM 677 CD LYS A 46 -0.683 -12.447 -7.000 1.00 32.33 C ATOM 678 CE LYS A 46 -0.159 -11.087 -6.565 1.00 63.24 C ATOM 679 NZ LYS A 46 -0.359 -10.054 -7.618 1.00 41.55 N ATOM 0 H LYS A 46 1.372 -15.428 -8.786 1.00 2.05 H new ATOM 0 HA LYS A 46 2.292 -13.180 -10.480 1.00 64.13 H new ATOM 0 HB2 LYS A 46 1.563 -11.758 -8.487 1.00 43.31 H new ATOM 0 HB3 LYS A 46 0.284 -12.405 -9.495 1.00 43.31 H new ATOM 0 HG2 LYS A 46 0.023 -14.294 -7.833 1.00 25.20 H new ATOM 0 HG3 LYS A 46 1.185 -13.484 -6.802 1.00 25.20 H new ATOM 0 HD2 LYS A 46 -1.462 -12.315 -7.751 1.00 32.33 H new ATOM 0 HD3 LYS A 46 -1.143 -12.950 -6.149 1.00 32.33 H new ATOM 0 HE2 LYS A 46 -0.666 -10.777 -5.651 1.00 63.24 H new ATOM 0 HE3 LYS A 46 0.902 -11.165 -6.329 1.00 63.24 H new ATOM 0 HZ1 LYS A 46 0.491 -9.459 -7.687 1.00 41.55 H new ATOM 0 HZ2 LYS A 46 -0.531 -10.519 -8.532 1.00 41.55 H new ATOM 0 HZ3 LYS A 46 -1.177 -9.461 -7.372 1.00 41.55 H new ATOM 693 N THR A 47 3.666 -14.779 -8.096 1.00 55.51 N ATOM 694 CA THR A 47 4.878 -14.949 -7.305 1.00 52.23 C ATOM 695 C THR A 47 4.911 -13.975 -6.133 1.00 35.33 C ATOM 696 O THR A 47 5.145 -12.778 -6.295 1.00 52.54 O ATOM 697 CB THR A 47 6.141 -14.745 -8.163 1.00 1.33 C ATOM 698 OG1 THR A 47 5.784 -14.647 -9.546 1.00 31.21 O ATOM 699 CG2 THR A 47 7.120 -15.893 -7.966 1.00 53.30 C ATOM 0 H THR A 47 3.074 -15.608 -8.144 1.00 55.51 H new ATOM 0 HA THR A 47 4.867 -15.970 -6.924 1.00 52.23 H new ATOM 0 HB THR A 47 6.622 -13.820 -7.847 1.00 1.33 H new ATOM 0 HG1 THR A 47 6.593 -14.516 -10.084 1.00 31.21 H new ATOM 0 HG21 THR A 47 8.004 -15.727 -8.582 1.00 53.30 H new ATOM 0 HG22 THR A 47 7.413 -15.946 -6.917 1.00 53.30 H new ATOM 0 HG23 THR A 47 6.645 -16.830 -8.257 1.00 53.30 H new ATOM 707 N PRO A 48 4.671 -14.499 -4.921 1.00 41.32 N ATOM 708 CA PRO A 48 4.669 -13.692 -3.697 1.00 21.41 C ATOM 709 C PRO A 48 6.065 -13.208 -3.320 1.00 12.33 C ATOM 710 O PRO A 48 7.039 -13.484 -4.020 1.00 74.13 O ATOM 711 CB PRO A 48 4.134 -14.658 -2.637 1.00 31.41 C ATOM 712 CG PRO A 48 4.471 -16.014 -3.155 1.00 40.10 C ATOM 713 CD PRO A 48 4.384 -15.918 -4.653 1.00 45.12 C ATOM 0 HA PRO A 48 4.074 -12.785 -3.807 1.00 21.41 H new ATOM 0 HB2 PRO A 48 4.598 -14.478 -1.667 1.00 31.41 H new ATOM 0 HB3 PRO A 48 3.059 -14.542 -2.502 1.00 31.41 H new ATOM 0 HG2 PRO A 48 5.470 -16.315 -2.841 1.00 40.10 H new ATOM 0 HG3 PRO A 48 3.777 -16.762 -2.771 1.00 40.10 H new ATOM 0 HD2 PRO A 48 5.106 -16.573 -5.140 1.00 45.12 H new ATOM 0 HD3 PRO A 48 3.397 -16.204 -5.017 1.00 45.12 H new ATOM 721 N ASP A 49 6.155 -12.484 -2.209 1.00 74.32 N ATOM 722 CA ASP A 49 7.432 -11.962 -1.738 1.00 21.20 C ATOM 723 C ASP A 49 8.011 -12.850 -0.641 1.00 35.23 C ATOM 724 O ASP A 49 9.212 -12.822 -0.373 1.00 52.51 O ATOM 725 CB ASP A 49 7.263 -10.533 -1.219 1.00 23.40 C ATOM 726 CG ASP A 49 8.386 -9.618 -1.667 1.00 20.43 C ATOM 727 OD1 ASP A 49 9.453 -9.626 -1.017 1.00 12.31 O ATOM 728 OD2 ASP A 49 8.198 -8.896 -2.667 1.00 44.53 O ATOM 0 H ASP A 49 5.358 -12.246 -1.618 1.00 74.32 H new ATOM 0 HA ASP A 49 8.126 -11.955 -2.579 1.00 21.20 H new ATOM 0 HB2 ASP A 49 6.311 -10.133 -1.568 1.00 23.40 H new ATOM 0 HB3 ASP A 49 7.223 -10.547 -0.130 1.00 23.40 H new ATOM 733 N VAL A 50 7.147 -13.638 -0.007 1.00 62.04 N ATOM 734 CA VAL A 50 7.572 -14.535 1.061 1.00 10.51 C ATOM 735 C VAL A 50 6.393 -15.325 1.616 1.00 33.24 C ATOM 736 O VAL A 50 5.345 -14.759 1.932 1.00 21.43 O ATOM 737 CB VAL A 50 8.243 -13.759 2.211 1.00 60.44 C ATOM 738 CG1 VAL A 50 7.357 -12.611 2.670 1.00 71.45 C ATOM 739 CG2 VAL A 50 8.561 -14.694 3.368 1.00 4.31 C ATOM 0 H VAL A 50 6.149 -13.673 -0.215 1.00 62.04 H new ATOM 0 HA VAL A 50 8.296 -15.225 0.627 1.00 10.51 H new ATOM 0 HB VAL A 50 9.180 -13.338 1.845 1.00 60.44 H new ATOM 0 HG11 VAL A 50 7.848 -12.075 3.482 1.00 71.45 H new ATOM 0 HG12 VAL A 50 7.185 -11.929 1.837 1.00 71.45 H new ATOM 0 HG13 VAL A 50 6.403 -13.005 3.020 1.00 71.45 H new ATOM 0 HG21 VAL A 50 9.034 -14.130 4.172 1.00 4.31 H new ATOM 0 HG22 VAL A 50 7.639 -15.145 3.735 1.00 4.31 H new ATOM 0 HG23 VAL A 50 9.238 -15.478 3.027 1.00 4.31 H new ATOM 749 N LEU A 51 6.570 -16.637 1.734 1.00 54.54 N ATOM 750 CA LEU A 51 5.520 -17.507 2.252 1.00 52.10 C ATOM 751 C LEU A 51 5.729 -17.787 3.737 1.00 74.13 C ATOM 752 O LEU A 51 6.789 -17.495 4.292 1.00 53.33 O ATOM 753 CB LEU A 51 5.490 -18.823 1.472 1.00 13.43 C ATOM 754 CG LEU A 51 4.169 -19.163 0.781 1.00 70.00 C ATOM 755 CD1 LEU A 51 4.412 -19.573 -0.663 1.00 45.52 C ATOM 756 CD2 LEU A 51 3.441 -20.267 1.535 1.00 44.32 C ATOM 0 H LEU A 51 7.431 -17.121 1.478 1.00 54.54 H new ATOM 0 HA LEU A 51 4.565 -16.997 2.128 1.00 52.10 H new ATOM 0 HB2 LEU A 51 6.275 -18.792 0.716 1.00 13.43 H new ATOM 0 HB3 LEU A 51 5.738 -19.634 2.157 1.00 13.43 H new ATOM 0 HG LEU A 51 3.540 -18.273 0.784 1.00 70.00 H new ATOM 0 HD11 LEU A 51 3.461 -19.811 -1.139 1.00 45.52 H new ATOM 0 HD12 LEU A 51 4.890 -18.753 -1.199 1.00 45.52 H new ATOM 0 HD13 LEU A 51 5.060 -20.449 -0.688 1.00 45.52 H new ATOM 0 HD21 LEU A 51 2.503 -20.496 1.029 1.00 44.32 H new ATOM 0 HD22 LEU A 51 4.065 -21.160 1.564 1.00 44.32 H new ATOM 0 HD23 LEU A 51 3.233 -19.936 2.553 1.00 44.32 H new ATOM 768 N LEU A 52 4.712 -18.357 4.374 1.00 21.14 N ATOM 769 CA LEU A 52 4.785 -18.680 5.795 1.00 15.33 C ATOM 770 C LEU A 52 4.071 -19.995 6.092 1.00 4.00 C ATOM 771 O LEU A 52 2.904 -20.005 6.481 1.00 33.45 O ATOM 772 CB LEU A 52 4.168 -17.553 6.626 1.00 33.22 C ATOM 773 CG LEU A 52 5.128 -16.456 7.087 1.00 31.13 C ATOM 774 CD1 LEU A 52 5.474 -15.529 5.932 1.00 30.51 C ATOM 775 CD2 LEU A 52 4.524 -15.670 8.242 1.00 44.32 C ATOM 0 H LEU A 52 3.828 -18.605 3.930 1.00 21.14 H new ATOM 0 HA LEU A 52 5.836 -18.789 6.064 1.00 15.33 H new ATOM 0 HB2 LEU A 52 3.373 -17.090 6.041 1.00 33.22 H new ATOM 0 HB3 LEU A 52 3.700 -17.992 7.507 1.00 33.22 H new ATOM 0 HG LEU A 52 6.047 -16.927 7.435 1.00 31.13 H new ATOM 0 HD11 LEU A 52 6.158 -14.755 6.279 1.00 30.51 H new ATOM 0 HD12 LEU A 52 5.949 -16.102 5.135 1.00 30.51 H new ATOM 0 HD13 LEU A 52 4.564 -15.065 5.552 1.00 30.51 H new ATOM 0 HD21 LEU A 52 5.221 -14.893 8.557 1.00 44.32 H new ATOM 0 HD22 LEU A 52 3.590 -15.210 7.920 1.00 44.32 H new ATOM 0 HD23 LEU A 52 4.328 -16.343 9.077 1.00 44.32 H new ATOM 787 N SER A 53 4.783 -21.103 5.907 1.00 14.42 N ATOM 788 CA SER A 53 4.217 -22.424 6.154 1.00 43.04 C ATOM 789 C SER A 53 4.202 -22.738 7.646 1.00 35.44 C ATOM 790 O SER A 53 5.101 -22.338 8.386 1.00 54.31 O ATOM 791 CB SER A 53 5.017 -23.492 5.404 1.00 13.24 C ATOM 792 OG SER A 53 6.157 -23.889 6.146 1.00 41.01 O ATOM 0 H SER A 53 5.752 -21.112 5.587 1.00 14.42 H new ATOM 0 HA SER A 53 3.190 -22.427 5.790 1.00 43.04 H new ATOM 0 HB2 SER A 53 4.384 -24.358 5.213 1.00 13.24 H new ATOM 0 HB3 SER A 53 5.327 -23.104 4.434 1.00 13.24 H new ATOM 0 HG SER A 53 6.650 -24.573 5.647 1.00 41.01 H new ATOM 798 N ASP A 54 3.173 -23.458 8.082 1.00 4.01 N ATOM 799 CA ASP A 54 3.039 -23.828 9.486 1.00 24.13 C ATOM 800 C ASP A 54 3.391 -25.298 9.697 1.00 51.51 C ATOM 801 O ASP A 54 3.599 -25.740 10.827 1.00 72.10 O ATOM 802 CB ASP A 54 1.615 -23.556 9.974 1.00 64.53 C ATOM 803 CG ASP A 54 1.363 -24.112 11.362 1.00 52.24 C ATOM 804 OD1 ASP A 54 2.248 -23.963 12.230 1.00 54.21 O ATOM 805 OD2 ASP A 54 0.281 -24.696 11.579 1.00 35.23 O ATOM 0 H ASP A 54 2.420 -23.797 7.483 1.00 4.01 H new ATOM 0 HA ASP A 54 3.735 -23.220 10.064 1.00 24.13 H new ATOM 0 HB2 ASP A 54 1.434 -22.481 9.978 1.00 64.53 H new ATOM 0 HB3 ASP A 54 0.904 -23.996 9.275 1.00 64.53 H new ATOM 810 N ILE A 55 3.454 -26.048 8.602 1.00 22.13 N ATOM 811 CA ILE A 55 3.780 -27.467 8.668 1.00 63.33 C ATOM 812 C ILE A 55 2.998 -28.161 9.778 1.00 54.44 C ATOM 813 O ILE A 55 3.497 -28.331 10.890 1.00 11.10 O ATOM 814 CB ILE A 55 5.286 -27.689 8.901 1.00 4.35 C ATOM 815 CG1 ILE A 55 6.106 -26.875 7.897 1.00 34.14 C ATOM 816 CG2 ILE A 55 5.627 -29.168 8.796 1.00 11.33 C ATOM 817 CD1 ILE A 55 7.597 -26.942 8.140 1.00 42.14 C ATOM 0 H ILE A 55 3.284 -25.697 7.660 1.00 22.13 H new ATOM 0 HA ILE A 55 3.502 -27.899 7.707 1.00 63.33 H new ATOM 0 HB ILE A 55 5.536 -27.349 9.906 1.00 4.35 H new ATOM 0 HG12 ILE A 55 5.894 -27.235 6.890 1.00 34.14 H new ATOM 0 HG13 ILE A 55 5.786 -25.834 7.938 1.00 34.14 H new ATOM 0 HG21 ILE A 55 6.695 -29.308 8.963 1.00 11.33 H new ATOM 0 HG22 ILE A 55 5.066 -29.725 9.547 1.00 11.33 H new ATOM 0 HG23 ILE A 55 5.364 -29.532 7.803 1.00 11.33 H new ATOM 0 HD11 ILE A 55 8.115 -26.342 7.391 1.00 42.14 H new ATOM 0 HD12 ILE A 55 7.821 -26.555 9.134 1.00 42.14 H new ATOM 0 HD13 ILE A 55 7.931 -27.977 8.070 1.00 42.14 H new ATOM 829 N ARG A 56 1.769 -28.560 9.467 1.00 72.21 N ATOM 830 CA ARG A 56 0.917 -29.236 10.438 1.00 72.11 C ATOM 831 C ARG A 56 -0.135 -30.090 9.737 1.00 71.45 C ATOM 832 O ARG A 56 -1.251 -30.248 10.231 1.00 52.45 O ATOM 833 CB ARG A 56 0.234 -28.214 11.349 1.00 44.45 C ATOM 834 CG ARG A 56 0.367 -28.532 12.829 1.00 71.22 C ATOM 835 CD ARG A 56 1.351 -27.597 13.514 1.00 63.21 C ATOM 836 NE ARG A 56 0.950 -27.289 14.884 1.00 43.41 N ATOM 837 CZ ARG A 56 1.544 -26.367 15.634 1.00 64.04 C ATOM 838 NH1 ARG A 56 2.560 -25.667 15.148 1.00 4.04 N ATOM 839 NH2 ARG A 56 1.122 -26.144 16.872 1.00 51.35 N ATOM 0 H ARG A 56 1.341 -28.427 8.551 1.00 72.21 H new ATOM 0 HA ARG A 56 1.547 -29.889 11.043 1.00 72.11 H new ATOM 0 HB2 ARG A 56 0.659 -27.229 11.158 1.00 44.45 H new ATOM 0 HB3 ARG A 56 -0.824 -28.160 11.091 1.00 44.45 H new ATOM 0 HG2 ARG A 56 -0.608 -28.450 13.309 1.00 71.22 H new ATOM 0 HG3 ARG A 56 0.697 -29.563 12.952 1.00 71.22 H new ATOM 0 HD2 ARG A 56 2.341 -28.054 13.520 1.00 63.21 H new ATOM 0 HD3 ARG A 56 1.430 -26.672 12.943 1.00 63.21 H new ATOM 0 HE ARG A 56 0.171 -27.810 15.287 1.00 43.41 H new ATOM 0 HH11 ARG A 56 2.887 -25.836 14.197 1.00 4.04 H new ATOM 0 HH12 ARG A 56 3.015 -24.960 15.725 1.00 4.04 H new ATOM 0 HH21 ARG A 56 0.341 -26.681 17.249 1.00 51.35 H new ATOM 0 HH22 ARG A 56 1.579 -25.436 17.447 1.00 51.35 H new ATOM 853 N MET A 57 0.229 -30.639 8.582 1.00 23.23 N ATOM 854 CA MET A 57 -0.683 -31.478 7.814 1.00 60.04 C ATOM 855 C MET A 57 -0.120 -32.887 7.652 1.00 54.43 C ATOM 856 O MET A 57 1.088 -33.110 7.722 1.00 23.01 O ATOM 857 CB MET A 57 -0.943 -30.859 6.439 1.00 51.00 C ATOM 858 CG MET A 57 0.321 -30.400 5.730 1.00 12.12 C ATOM 859 SD MET A 57 -0.024 -29.342 4.311 1.00 2.14 S ATOM 860 CE MET A 57 0.838 -27.846 4.787 1.00 1.35 C ATOM 0 H MET A 57 1.149 -30.518 8.158 1.00 23.23 H new ATOM 0 HA MET A 57 -1.624 -31.543 8.360 1.00 60.04 H new ATOM 0 HB2 MET A 57 -1.457 -31.588 5.813 1.00 51.00 H new ATOM 0 HB3 MET A 57 -1.615 -30.008 6.554 1.00 51.00 H new ATOM 0 HG2 MET A 57 0.953 -29.861 6.435 1.00 12.12 H new ATOM 0 HG3 MET A 57 0.885 -31.272 5.399 1.00 12.12 H new ATOM 0 HE1 MET A 57 0.718 -27.093 4.008 1.00 1.35 H new ATOM 0 HE2 MET A 57 0.424 -27.469 5.722 1.00 1.35 H new ATOM 0 HE3 MET A 57 1.898 -28.064 4.921 1.00 1.35 H new ATOM 870 N PRO A 58 -1.016 -33.860 7.430 1.00 64.52 N ATOM 871 CA PRO A 58 -0.631 -35.264 7.253 1.00 10.01 C ATOM 872 C PRO A 58 0.102 -35.503 5.937 1.00 35.13 C ATOM 873 O PRO A 58 1.158 -36.132 5.909 1.00 23.33 O ATOM 874 CB PRO A 58 -1.972 -36.003 7.261 1.00 44.23 C ATOM 875 CG PRO A 58 -2.966 -34.988 6.813 1.00 50.20 C ATOM 876 CD PRO A 58 -2.472 -33.666 7.334 1.00 72.43 C ATOM 0 HA PRO A 58 0.060 -35.598 8.027 1.00 10.01 H new ATOM 0 HB2 PRO A 58 -1.954 -36.863 6.591 1.00 44.23 H new ATOM 0 HB3 PRO A 58 -2.211 -36.379 8.256 1.00 44.23 H new ATOM 0 HG2 PRO A 58 -3.046 -34.974 5.726 1.00 50.20 H new ATOM 0 HG3 PRO A 58 -3.958 -35.215 7.203 1.00 50.20 H new ATOM 0 HD2 PRO A 58 -2.725 -32.848 6.659 1.00 72.43 H new ATOM 0 HD3 PRO A 58 -2.910 -33.427 8.303 1.00 72.43 H new ATOM 884 N GLY A 59 -0.467 -34.996 4.848 1.00 54.14 N ATOM 885 CA GLY A 59 0.146 -35.165 3.543 1.00 22.04 C ATOM 886 C GLY A 59 1.526 -34.542 3.466 1.00 13.44 C ATOM 887 O GLY A 59 2.504 -35.124 3.933 1.00 21.22 O ATOM 0 H GLY A 59 -1.342 -34.471 4.846 1.00 54.14 H new ATOM 0 HA2 GLY A 59 0.217 -36.228 3.313 1.00 22.04 H new ATOM 0 HA3 GLY A 59 -0.495 -34.717 2.783 1.00 22.04 H new ATOM 891 N MET A 60 1.605 -33.354 2.874 1.00 33.53 N ATOM 892 CA MET A 60 2.875 -32.652 2.737 1.00 24.24 C ATOM 893 C MET A 60 3.589 -32.553 4.082 1.00 40.51 C ATOM 894 O MET A 60 3.025 -32.061 5.060 1.00 41.45 O ATOM 895 CB MET A 60 2.650 -31.253 2.162 1.00 52.14 C ATOM 896 CG MET A 60 3.833 -30.725 1.367 1.00 41.31 C ATOM 897 SD MET A 60 3.964 -31.476 -0.267 1.00 35.21 S ATOM 898 CE MET A 60 2.606 -30.675 -1.117 1.00 73.42 C ATOM 0 H MET A 60 0.804 -32.858 2.482 1.00 33.53 H new ATOM 0 HA MET A 60 3.504 -33.221 2.052 1.00 24.24 H new ATOM 0 HB2 MET A 60 1.770 -31.271 1.519 1.00 52.14 H new ATOM 0 HB3 MET A 60 2.435 -30.564 2.979 1.00 52.14 H new ATOM 0 HG2 MET A 60 3.740 -29.644 1.259 1.00 41.31 H new ATOM 0 HG3 MET A 60 4.752 -30.912 1.923 1.00 41.31 H new ATOM 0 HE1 MET A 60 1.906 -31.429 -1.476 1.00 73.42 H new ATOM 0 HE2 MET A 60 2.094 -30.001 -0.430 1.00 73.42 H new ATOM 0 HE3 MET A 60 2.991 -30.106 -1.963 1.00 73.42 H new ATOM 908 N ASP A 61 4.831 -33.022 4.124 1.00 71.33 N ATOM 909 CA ASP A 61 5.622 -32.985 5.348 1.00 34.25 C ATOM 910 C ASP A 61 5.864 -31.547 5.795 1.00 4.12 C ATOM 911 O ASP A 61 6.243 -31.297 6.939 1.00 54.22 O ATOM 912 CB ASP A 61 6.958 -33.700 5.140 1.00 34.01 C ATOM 913 CG ASP A 61 7.114 -34.909 6.041 1.00 72.40 C ATOM 914 OD1 ASP A 61 7.424 -34.723 7.236 1.00 25.13 O ATOM 915 OD2 ASP A 61 6.925 -36.042 5.551 1.00 74.11 O ATOM 0 H ASP A 61 5.312 -33.433 3.324 1.00 71.33 H new ATOM 0 HA ASP A 61 5.062 -33.500 6.129 1.00 34.25 H new ATOM 0 HB2 ASP A 61 7.041 -34.013 4.099 1.00 34.01 H new ATOM 0 HB3 ASP A 61 7.774 -33.002 5.329 1.00 34.01 H new ATOM 920 N GLY A 62 5.645 -30.604 4.884 1.00 72.25 N ATOM 921 CA GLY A 62 5.846 -29.203 5.202 1.00 1.23 C ATOM 922 C GLY A 62 6.976 -28.583 4.404 1.00 53.02 C ATOM 923 O GLY A 62 6.752 -27.683 3.593 1.00 70.22 O ATOM 0 H GLY A 62 5.332 -30.786 3.931 1.00 72.25 H new ATOM 0 HA2 GLY A 62 4.925 -28.654 5.008 1.00 1.23 H new ATOM 0 HA3 GLY A 62 6.059 -29.102 6.266 1.00 1.23 H new ATOM 927 N LEU A 63 8.193 -29.063 4.634 1.00 51.25 N ATOM 928 CA LEU A 63 9.363 -28.549 3.930 1.00 2.23 C ATOM 929 C LEU A 63 9.501 -29.197 2.556 1.00 11.33 C ATOM 930 O LEU A 63 10.243 -28.712 1.702 1.00 31.44 O ATOM 931 CB LEU A 63 10.628 -28.799 4.754 1.00 51.33 C ATOM 932 CG LEU A 63 10.664 -30.104 5.549 1.00 12.04 C ATOM 933 CD1 LEU A 63 10.375 -31.290 4.642 1.00 24.14 C ATOM 934 CD2 LEU A 63 12.010 -30.272 6.238 1.00 3.22 C ATOM 0 H LEU A 63 8.396 -29.807 5.302 1.00 51.25 H new ATOM 0 HA LEU A 63 9.232 -27.476 3.793 1.00 2.23 H new ATOM 0 HB2 LEU A 63 11.485 -28.783 4.081 1.00 51.33 H new ATOM 0 HB3 LEU A 63 10.754 -27.969 5.450 1.00 51.33 H new ATOM 0 HG LEU A 63 9.890 -30.062 6.315 1.00 12.04 H new ATOM 0 HD11 LEU A 63 10.405 -32.210 5.226 1.00 24.14 H new ATOM 0 HD12 LEU A 63 9.387 -31.175 4.196 1.00 24.14 H new ATOM 0 HD13 LEU A 63 11.126 -31.336 3.853 1.00 24.14 H new ATOM 0 HD21 LEU A 63 12.017 -31.206 6.799 1.00 3.22 H new ATOM 0 HD22 LEU A 63 12.802 -30.292 5.489 1.00 3.22 H new ATOM 0 HD23 LEU A 63 12.176 -29.438 6.920 1.00 3.22 H new ATOM 946 N ALA A 64 8.779 -30.293 2.350 1.00 23.50 N ATOM 947 CA ALA A 64 8.818 -31.005 1.079 1.00 74.25 C ATOM 948 C ALA A 64 8.709 -30.038 -0.095 1.00 61.14 C ATOM 949 O ALA A 64 9.479 -30.120 -1.054 1.00 13.23 O ATOM 950 CB ALA A 64 7.703 -32.039 1.018 1.00 14.34 C ATOM 0 H ALA A 64 8.160 -30.707 3.047 1.00 23.50 H new ATOM 0 HA ALA A 64 9.778 -31.517 1.007 1.00 74.25 H new ATOM 0 HB1 ALA A 64 7.745 -32.563 0.063 1.00 14.34 H new ATOM 0 HB2 ALA A 64 7.826 -32.755 1.830 1.00 14.34 H new ATOM 0 HB3 ALA A 64 6.739 -31.541 1.117 1.00 14.34 H new ATOM 956 N LEU A 65 7.749 -29.123 -0.015 1.00 61.44 N ATOM 957 CA LEU A 65 7.539 -28.140 -1.072 1.00 42.03 C ATOM 958 C LEU A 65 8.469 -26.944 -0.896 1.00 1.13 C ATOM 959 O LEU A 65 8.770 -26.231 -1.854 1.00 41.10 O ATOM 960 CB LEU A 65 6.083 -27.672 -1.079 1.00 11.25 C ATOM 961 CG LEU A 65 5.802 -26.344 -0.375 1.00 11.40 C ATOM 962 CD1 LEU A 65 4.373 -25.893 -0.636 1.00 41.04 C ATOM 963 CD2 LEU A 65 6.059 -26.467 1.120 1.00 42.12 C ATOM 0 H LEU A 65 7.104 -29.041 0.771 1.00 61.44 H new ATOM 0 HA LEU A 65 7.766 -28.615 -2.026 1.00 42.03 H new ATOM 0 HB2 LEU A 65 5.754 -27.588 -2.115 1.00 11.25 H new ATOM 0 HB3 LEU A 65 5.472 -28.444 -0.612 1.00 11.25 H new ATOM 0 HG LEU A 65 6.479 -25.591 -0.779 1.00 11.40 H new ATOM 0 HD11 LEU A 65 4.192 -24.946 -0.127 1.00 41.04 H new ATOM 0 HD12 LEU A 65 4.222 -25.764 -1.708 1.00 41.04 H new ATOM 0 HD13 LEU A 65 3.680 -26.646 -0.260 1.00 41.04 H new ATOM 0 HD21 LEU A 65 5.854 -25.512 1.604 1.00 42.12 H new ATOM 0 HD22 LEU A 65 5.408 -27.234 1.539 1.00 42.12 H new ATOM 0 HD23 LEU A 65 7.100 -26.743 1.289 1.00 42.12 H new ATOM 975 N LEU A 66 8.923 -26.731 0.334 1.00 11.44 N ATOM 976 CA LEU A 66 9.821 -25.622 0.637 1.00 3.20 C ATOM 977 C LEU A 66 11.202 -25.860 0.034 1.00 40.51 C ATOM 978 O LEU A 66 11.932 -24.914 -0.265 1.00 25.45 O ATOM 979 CB LEU A 66 9.939 -25.433 2.150 1.00 31.35 C ATOM 980 CG LEU A 66 9.997 -23.987 2.644 1.00 23.32 C ATOM 981 CD1 LEU A 66 10.960 -23.172 1.796 1.00 45.14 C ATOM 982 CD2 LEU A 66 8.610 -23.362 2.629 1.00 31.22 C ATOM 0 H LEU A 66 8.684 -27.312 1.138 1.00 11.44 H new ATOM 0 HA LEU A 66 9.402 -24.717 0.196 1.00 3.20 H new ATOM 0 HB2 LEU A 66 9.089 -25.924 2.625 1.00 31.35 H new ATOM 0 HB3 LEU A 66 10.837 -25.949 2.491 1.00 31.35 H new ATOM 0 HG LEU A 66 10.362 -23.989 3.671 1.00 23.32 H new ATOM 0 HD11 LEU A 66 10.988 -22.146 2.162 1.00 45.14 H new ATOM 0 HD12 LEU A 66 11.957 -23.607 1.858 1.00 45.14 H new ATOM 0 HD13 LEU A 66 10.626 -23.178 0.759 1.00 45.14 H new ATOM 0 HD21 LEU A 66 8.671 -22.333 2.984 1.00 31.22 H new ATOM 0 HD22 LEU A 66 8.217 -23.373 1.612 1.00 31.22 H new ATOM 0 HD23 LEU A 66 7.947 -23.932 3.280 1.00 31.22 H new ATOM 994 N LYS A 67 11.553 -27.128 -0.145 1.00 63.41 N ATOM 995 CA LYS A 67 12.845 -27.492 -0.716 1.00 74.11 C ATOM 996 C LYS A 67 12.938 -27.054 -2.174 1.00 54.02 C ATOM 997 O LYS A 67 14.026 -26.787 -2.683 1.00 21.33 O ATOM 998 CB LYS A 67 13.064 -29.003 -0.611 1.00 44.05 C ATOM 999 CG LYS A 67 13.275 -29.490 0.812 1.00 45.23 C ATOM 1000 CD LYS A 67 14.533 -28.895 1.424 1.00 71.33 C ATOM 1001 CE LYS A 67 15.773 -29.274 0.628 1.00 33.12 C ATOM 1002 NZ LYS A 67 16.964 -29.443 1.505 1.00 22.12 N ATOM 0 H LYS A 67 10.961 -27.922 0.097 1.00 63.41 H new ATOM 0 HA LYS A 67 13.622 -26.978 -0.151 1.00 74.11 H new ATOM 0 HB2 LYS A 67 12.203 -29.517 -1.038 1.00 44.05 H new ATOM 0 HB3 LYS A 67 13.930 -29.279 -1.213 1.00 44.05 H new ATOM 0 HG2 LYS A 67 12.411 -29.223 1.421 1.00 45.23 H new ATOM 0 HG3 LYS A 67 13.345 -30.578 0.819 1.00 45.23 H new ATOM 0 HD2 LYS A 67 14.442 -27.810 1.463 1.00 71.33 H new ATOM 0 HD3 LYS A 67 14.639 -29.243 2.452 1.00 71.33 H new ATOM 0 HE2 LYS A 67 15.587 -30.201 0.085 1.00 33.12 H new ATOM 0 HE3 LYS A 67 15.976 -28.504 -0.116 1.00 33.12 H new ATOM 0 HZ1 LYS A 67 17.788 -29.701 0.925 1.00 22.12 H new ATOM 0 HZ2 LYS A 67 17.157 -28.551 2.004 1.00 22.12 H new ATOM 0 HZ3 LYS A 67 16.780 -30.195 2.199 1.00 22.12 H new ATOM 1016 N GLN A 68 11.790 -26.981 -2.840 1.00 15.12 N ATOM 1017 CA GLN A 68 11.743 -26.574 -4.239 1.00 71.02 C ATOM 1018 C GLN A 68 11.667 -25.056 -4.363 1.00 0.25 C ATOM 1019 O GLN A 68 12.053 -24.486 -5.384 1.00 74.50 O ATOM 1020 CB GLN A 68 10.543 -27.215 -4.939 1.00 2.01 C ATOM 1021 CG GLN A 68 9.274 -26.383 -4.855 1.00 11.30 C ATOM 1022 CD GLN A 68 8.022 -27.234 -4.782 1.00 54.13 C ATOM 1023 OE1 GLN A 68 7.023 -26.757 -4.048 1.00 40.32 O flip ATOM 1024 NE2 GLN A 68 7.952 -28.309 -5.379 1.00 61.11 N flip ATOM 0 H GLN A 68 10.880 -27.198 -2.433 1.00 15.12 H new ATOM 0 HA GLN A 68 12.660 -26.914 -4.720 1.00 71.02 H new ATOM 0 HB2 GLN A 68 10.790 -27.380 -5.988 1.00 2.01 H new ATOM 0 HB3 GLN A 68 10.356 -28.194 -4.498 1.00 2.01 H new ATOM 0 HG2 GLN A 68 9.323 -25.740 -3.976 1.00 11.30 H new ATOM 0 HG3 GLN A 68 9.214 -25.730 -5.725 1.00 11.30 H new ATOM 0 HE21 GLN A 68 8.744 -28.638 -5.932 1.00 61.11 H new ATOM 0 HE22 GLN A 68 7.102 -28.870 -5.321 1.00 61.11 H new ATOM 1033 N ILE A 69 11.168 -24.406 -3.316 1.00 74.54 N ATOM 1034 CA ILE A 69 11.042 -22.954 -3.308 1.00 22.30 C ATOM 1035 C ILE A 69 12.394 -22.284 -3.527 1.00 25.42 C ATOM 1036 O ILE A 69 12.467 -21.133 -3.958 1.00 25.52 O ATOM 1037 CB ILE A 69 10.440 -22.449 -1.984 1.00 12.13 C ATOM 1038 CG1 ILE A 69 8.981 -22.894 -1.859 1.00 23.12 C ATOM 1039 CG2 ILE A 69 10.546 -20.934 -1.898 1.00 1.33 C ATOM 1040 CD1 ILE A 69 8.342 -22.507 -0.544 1.00 12.12 C ATOM 0 H ILE A 69 10.845 -24.862 -2.463 1.00 74.54 H new ATOM 0 HA ILE A 69 10.372 -22.691 -4.126 1.00 22.30 H new ATOM 0 HB ILE A 69 11.004 -22.881 -1.157 1.00 12.13 H new ATOM 0 HG12 ILE A 69 8.405 -22.458 -2.676 1.00 23.12 H new ATOM 0 HG13 ILE A 69 8.929 -23.977 -1.974 1.00 23.12 H new ATOM 0 HG21 ILE A 69 10.116 -20.592 -0.956 1.00 1.33 H new ATOM 0 HG22 ILE A 69 11.594 -20.639 -1.947 1.00 1.33 H new ATOM 0 HG23 ILE A 69 10.004 -20.484 -2.729 1.00 1.33 H new ATOM 0 HD11 ILE A 69 7.309 -22.854 -0.525 1.00 12.12 H new ATOM 0 HD12 ILE A 69 8.894 -22.965 0.277 1.00 12.12 H new ATOM 0 HD13 ILE A 69 8.362 -21.423 -0.435 1.00 12.12 H new ATOM 1052 N LYS A 70 13.465 -23.013 -3.228 1.00 73.24 N ATOM 1053 CA LYS A 70 14.816 -22.492 -3.395 1.00 23.31 C ATOM 1054 C LYS A 70 15.221 -22.489 -4.866 1.00 13.44 C ATOM 1055 O LYS A 70 15.717 -21.486 -5.379 1.00 23.42 O ATOM 1056 CB LYS A 70 15.810 -23.327 -2.584 1.00 21.01 C ATOM 1057 CG LYS A 70 15.447 -23.447 -1.114 1.00 55.01 C ATOM 1058 CD LYS A 70 16.054 -22.320 -0.296 1.00 31.04 C ATOM 1059 CE LYS A 70 17.571 -22.423 -0.245 1.00 14.21 C ATOM 1060 NZ LYS A 70 18.223 -21.451 -1.165 1.00 5.31 N ATOM 0 H LYS A 70 13.423 -23.967 -2.869 1.00 73.24 H new ATOM 0 HA LYS A 70 14.830 -21.465 -3.031 1.00 23.31 H new ATOM 0 HB2 LYS A 70 15.871 -24.325 -3.017 1.00 21.01 H new ATOM 0 HB3 LYS A 70 16.801 -22.881 -2.670 1.00 21.01 H new ATOM 0 HG2 LYS A 70 14.363 -23.434 -1.004 1.00 55.01 H new ATOM 0 HG3 LYS A 70 15.795 -24.406 -0.729 1.00 55.01 H new ATOM 0 HD2 LYS A 70 15.768 -21.361 -0.727 1.00 31.04 H new ATOM 0 HD3 LYS A 70 15.652 -22.347 0.717 1.00 31.04 H new ATOM 0 HE2 LYS A 70 17.913 -22.244 0.774 1.00 14.21 H new ATOM 0 HE3 LYS A 70 17.876 -23.435 -0.511 1.00 14.21 H new ATOM 0 HZ1 LYS A 70 19.066 -21.887 -1.590 1.00 5.31 H new ATOM 0 HZ2 LYS A 70 17.556 -21.183 -1.916 1.00 5.31 H new ATOM 0 HZ3 LYS A 70 18.503 -20.603 -0.632 1.00 5.31 H new ATOM 1074 N GLN A 71 15.003 -23.615 -5.537 1.00 41.44 N ATOM 1075 CA GLN A 71 15.345 -23.739 -6.949 1.00 73.34 C ATOM 1076 C GLN A 71 14.403 -22.906 -7.813 1.00 20.41 C ATOM 1077 O GLN A 71 14.822 -22.302 -8.801 1.00 31.55 O ATOM 1078 CB GLN A 71 15.289 -25.206 -7.382 1.00 3.43 C ATOM 1079 CG GLN A 71 15.697 -25.429 -8.829 1.00 52.01 C ATOM 1080 CD GLN A 71 17.152 -25.089 -9.085 1.00 31.22 C ATOM 1081 OE1 GLN A 71 17.466 -24.047 -9.660 1.00 2.43 O ATOM 1082 NE2 GLN A 71 18.050 -25.970 -8.658 1.00 14.42 N ATOM 0 H GLN A 71 14.592 -24.453 -5.127 1.00 41.44 H new ATOM 0 HA GLN A 71 16.360 -23.365 -7.085 1.00 73.34 H new ATOM 0 HB2 GLN A 71 15.941 -25.792 -6.735 1.00 3.43 H new ATOM 0 HB3 GLN A 71 14.276 -25.581 -7.237 1.00 3.43 H new ATOM 0 HG2 GLN A 71 15.519 -26.471 -9.096 1.00 52.01 H new ATOM 0 HG3 GLN A 71 15.066 -24.821 -9.478 1.00 52.01 H new ATOM 0 HE21 GLN A 71 17.745 -26.821 -8.186 1.00 14.42 H new ATOM 0 HE22 GLN A 71 19.045 -25.795 -8.802 1.00 14.42 H new ATOM 1091 N ARG A 72 13.129 -22.879 -7.434 1.00 65.11 N ATOM 1092 CA ARG A 72 12.128 -22.121 -8.175 1.00 21.41 C ATOM 1093 C ARG A 72 12.197 -20.639 -7.821 1.00 52.32 C ATOM 1094 O ARG A 72 11.982 -19.776 -8.673 1.00 53.21 O ATOM 1095 CB ARG A 72 10.728 -22.663 -7.881 1.00 12.52 C ATOM 1096 CG ARG A 72 10.356 -23.877 -8.716 1.00 42.21 C ATOM 1097 CD ARG A 72 8.854 -23.966 -8.932 1.00 54.33 C ATOM 1098 NE ARG A 72 8.481 -25.146 -9.707 1.00 31.31 N ATOM 1099 CZ ARG A 72 8.670 -25.255 -11.017 1.00 71.32 C ATOM 1100 NH1 ARG A 72 9.224 -24.260 -11.695 1.00 65.24 N ATOM 1101 NH2 ARG A 72 8.304 -26.362 -11.652 1.00 2.23 N ATOM 0 H ARG A 72 12.766 -23.373 -6.619 1.00 65.11 H new ATOM 0 HA ARG A 72 12.337 -22.232 -9.239 1.00 21.41 H new ATOM 0 HB2 ARG A 72 10.664 -22.926 -6.825 1.00 12.52 H new ATOM 0 HB3 ARG A 72 9.998 -21.873 -8.058 1.00 12.52 H new ATOM 0 HG2 ARG A 72 10.861 -23.825 -9.681 1.00 42.21 H new ATOM 0 HG3 ARG A 72 10.708 -24.782 -8.221 1.00 42.21 H new ATOM 0 HD2 ARG A 72 8.350 -23.993 -7.966 1.00 54.33 H new ATOM 0 HD3 ARG A 72 8.508 -23.070 -9.447 1.00 54.33 H new ATOM 0 HE ARG A 72 8.052 -25.930 -9.215 1.00 31.31 H new ATOM 0 HH11 ARG A 72 9.506 -23.408 -11.211 1.00 65.24 H new ATOM 0 HH12 ARG A 72 9.368 -24.346 -12.701 1.00 65.24 H new ATOM 0 HH21 ARG A 72 7.877 -27.130 -11.134 1.00 2.23 H new ATOM 0 HH22 ARG A 72 8.450 -26.445 -12.658 1.00 2.23 H new ATOM 1115 N HIS A 73 12.497 -20.350 -6.559 1.00 2.10 N ATOM 1116 CA HIS A 73 12.594 -18.971 -6.092 1.00 63.34 C ATOM 1117 C HIS A 73 13.679 -18.833 -5.029 1.00 2.14 C ATOM 1118 O HIS A 73 13.401 -18.709 -3.836 1.00 12.03 O ATOM 1119 CB HIS A 73 11.251 -18.505 -5.531 1.00 12.11 C ATOM 1120 CG HIS A 73 10.075 -18.939 -6.351 1.00 65.53 C ATOM 1121 ND1 HIS A 73 9.568 -18.193 -7.393 1.00 54.33 N ATOM 1122 CD2 HIS A 73 9.308 -20.052 -6.279 1.00 65.52 C ATOM 1123 CE1 HIS A 73 8.538 -18.827 -7.926 1.00 1.44 C ATOM 1124 NE2 HIS A 73 8.360 -19.958 -7.268 1.00 22.30 N ATOM 0 H HIS A 73 12.677 -21.052 -5.841 1.00 2.10 H new ATOM 0 HA HIS A 73 12.861 -18.343 -6.942 1.00 63.34 H new ATOM 0 HB2 HIS A 73 11.138 -18.889 -4.517 1.00 12.11 H new ATOM 0 HB3 HIS A 73 11.253 -17.417 -5.462 1.00 12.11 H new ATOM 0 HD2 HIS A 73 9.421 -20.863 -5.575 1.00 65.52 H new ATOM 0 HE1 HIS A 73 7.943 -18.479 -8.758 1.00 1.44 H new ATOM 0 HE2 HIS A 73 7.636 -20.649 -7.463 1.00 22.30 H new ATOM 1132 N PRO A 74 14.946 -18.855 -5.468 1.00 62.13 N ATOM 1133 CA PRO A 74 16.098 -18.734 -4.570 1.00 1.31 C ATOM 1134 C PRO A 74 16.225 -17.335 -3.976 1.00 43.12 C ATOM 1135 O PRO A 74 16.562 -17.177 -2.803 1.00 41.22 O ATOM 1136 CB PRO A 74 17.291 -19.039 -5.479 1.00 70.13 C ATOM 1137 CG PRO A 74 16.823 -18.688 -6.849 1.00 75.12 C ATOM 1138 CD PRO A 74 15.352 -19.000 -6.876 1.00 53.15 C ATOM 0 HA PRO A 74 16.017 -19.401 -3.712 1.00 1.31 H new ATOM 0 HB2 PRO A 74 18.164 -18.451 -5.196 1.00 70.13 H new ATOM 0 HB3 PRO A 74 17.579 -20.088 -5.416 1.00 70.13 H new ATOM 0 HG2 PRO A 74 17.003 -17.635 -7.065 1.00 75.12 H new ATOM 0 HG3 PRO A 74 17.358 -19.264 -7.604 1.00 75.12 H new ATOM 0 HD2 PRO A 74 14.807 -18.313 -7.524 1.00 53.15 H new ATOM 0 HD3 PRO A 74 15.162 -20.007 -7.247 1.00 53.15 H new ATOM 1146 N MET A 75 15.953 -16.323 -4.794 1.00 24.12 N ATOM 1147 CA MET A 75 16.036 -14.937 -4.348 1.00 21.13 C ATOM 1148 C MET A 75 14.792 -14.546 -3.557 1.00 1.55 C ATOM 1149 O MET A 75 14.682 -13.419 -3.072 1.00 13.44 O ATOM 1150 CB MET A 75 16.207 -14.002 -5.547 1.00 25.44 C ATOM 1151 CG MET A 75 15.121 -14.157 -6.598 1.00 71.53 C ATOM 1152 SD MET A 75 13.964 -12.775 -6.611 1.00 12.34 S ATOM 1153 CE MET A 75 12.493 -13.558 -5.954 1.00 21.12 C ATOM 0 H MET A 75 15.673 -16.437 -5.768 1.00 24.12 H new ATOM 0 HA MET A 75 16.905 -14.842 -3.696 1.00 21.13 H new ATOM 0 HB2 MET A 75 16.216 -12.971 -5.195 1.00 25.44 H new ATOM 0 HB3 MET A 75 17.177 -14.189 -6.008 1.00 25.44 H new ATOM 0 HG2 MET A 75 15.583 -14.248 -7.581 1.00 71.53 H new ATOM 0 HG3 MET A 75 14.574 -15.082 -6.416 1.00 71.53 H new ATOM 0 HE1 MET A 75 11.690 -12.824 -5.884 1.00 21.12 H new ATOM 0 HE2 MET A 75 12.187 -14.369 -6.615 1.00 21.12 H new ATOM 0 HE3 MET A 75 12.706 -13.958 -4.963 1.00 21.12 H new ATOM 1163 N LEU A 76 13.858 -15.482 -3.430 1.00 41.40 N ATOM 1164 CA LEU A 76 12.621 -15.234 -2.697 1.00 41.14 C ATOM 1165 C LEU A 76 12.737 -15.715 -1.255 1.00 1.14 C ATOM 1166 O LEU A 76 12.897 -16.905 -0.982 1.00 3.21 O ATOM 1167 CB LEU A 76 11.448 -15.933 -3.387 1.00 41.32 C ATOM 1168 CG LEU A 76 10.104 -15.860 -2.663 1.00 35.44 C ATOM 1169 CD1 LEU A 76 9.477 -14.486 -2.836 1.00 0.50 C ATOM 1170 CD2 LEU A 76 9.165 -16.944 -3.171 1.00 75.43 C ATOM 0 H LEU A 76 13.933 -16.419 -3.825 1.00 41.40 H new ATOM 0 HA LEU A 76 12.442 -14.159 -2.688 1.00 41.14 H new ATOM 0 HB2 LEU A 76 11.327 -15.501 -4.380 1.00 41.32 H new ATOM 0 HB3 LEU A 76 11.707 -16.983 -3.525 1.00 41.32 H new ATOM 0 HG LEU A 76 10.277 -16.026 -1.600 1.00 35.44 H new ATOM 0 HD11 LEU A 76 8.521 -14.454 -2.313 1.00 0.50 H new ATOM 0 HD12 LEU A 76 10.142 -13.728 -2.423 1.00 0.50 H new ATOM 0 HD13 LEU A 76 9.318 -14.290 -3.896 1.00 0.50 H new ATOM 0 HD21 LEU A 76 8.213 -16.877 -2.644 1.00 75.43 H new ATOM 0 HD22 LEU A 76 8.999 -16.810 -4.240 1.00 75.43 H new ATOM 0 HD23 LEU A 76 9.610 -17.923 -2.993 1.00 75.43 H new ATOM 1182 N PRO A 77 12.652 -14.770 -0.307 1.00 4.52 N ATOM 1183 CA PRO A 77 12.743 -15.073 1.124 1.00 34.25 C ATOM 1184 C PRO A 77 11.522 -15.832 1.634 1.00 10.11 C ATOM 1185 O PRO A 77 10.387 -15.511 1.281 1.00 61.43 O ATOM 1186 CB PRO A 77 12.823 -13.690 1.776 1.00 22.51 C ATOM 1187 CG PRO A 77 12.161 -12.775 0.805 1.00 45.12 C ATOM 1188 CD PRO A 77 12.462 -13.331 -0.559 1.00 74.45 C ATOM 0 HA PRO A 77 13.593 -15.716 1.351 1.00 34.25 H new ATOM 0 HB2 PRO A 77 12.316 -13.677 2.741 1.00 22.51 H new ATOM 0 HB3 PRO A 77 13.857 -13.396 1.955 1.00 22.51 H new ATOM 0 HG2 PRO A 77 11.086 -12.732 0.980 1.00 45.12 H new ATOM 0 HG3 PRO A 77 12.542 -11.758 0.905 1.00 45.12 H new ATOM 0 HD2 PRO A 77 11.644 -13.150 -1.256 1.00 74.45 H new ATOM 0 HD3 PRO A 77 13.355 -12.877 -0.990 1.00 74.45 H new ATOM 1196 N VAL A 78 11.762 -16.840 2.467 1.00 4.51 N ATOM 1197 CA VAL A 78 10.682 -17.643 3.027 1.00 63.11 C ATOM 1198 C VAL A 78 10.818 -17.769 4.540 1.00 2.11 C ATOM 1199 O VAL A 78 11.895 -17.552 5.097 1.00 51.32 O ATOM 1200 CB VAL A 78 10.652 -19.052 2.406 1.00 34.53 C ATOM 1201 CG1 VAL A 78 9.327 -19.738 2.704 1.00 71.34 C ATOM 1202 CG2 VAL A 78 10.899 -18.980 0.907 1.00 0.51 C ATOM 0 H VAL A 78 12.695 -17.120 2.769 1.00 4.51 H new ATOM 0 HA VAL A 78 9.750 -17.129 2.791 1.00 63.11 H new ATOM 0 HB VAL A 78 11.450 -19.644 2.854 1.00 34.53 H new ATOM 0 HG11 VAL A 78 9.324 -20.732 2.258 1.00 71.34 H new ATOM 0 HG12 VAL A 78 9.196 -19.824 3.783 1.00 71.34 H new ATOM 0 HG13 VAL A 78 8.510 -19.150 2.285 1.00 71.34 H new ATOM 0 HG21 VAL A 78 10.874 -19.985 0.485 1.00 0.51 H new ATOM 0 HG22 VAL A 78 10.125 -18.371 0.440 1.00 0.51 H new ATOM 0 HG23 VAL A 78 11.875 -18.532 0.720 1.00 0.51 H new ATOM 1212 N ILE A 79 9.720 -18.121 5.200 1.00 61.21 N ATOM 1213 CA ILE A 79 9.717 -18.278 6.649 1.00 4.41 C ATOM 1214 C ILE A 79 9.026 -19.573 7.061 1.00 63.11 C ATOM 1215 O ILE A 79 7.897 -19.843 6.652 1.00 72.04 O ATOM 1216 CB ILE A 79 9.018 -17.093 7.342 1.00 71.22 C ATOM 1217 CG1 ILE A 79 9.672 -15.773 6.927 1.00 35.33 C ATOM 1218 CG2 ILE A 79 9.064 -17.261 8.853 1.00 34.42 C ATOM 1219 CD1 ILE A 79 8.747 -14.581 7.035 1.00 73.24 C ATOM 0 H ILE A 79 8.821 -18.303 4.754 1.00 61.21 H new ATOM 0 HA ILE A 79 10.760 -18.310 6.965 1.00 4.41 H new ATOM 0 HB ILE A 79 7.974 -17.073 7.030 1.00 71.22 H new ATOM 0 HG12 ILE A 79 10.549 -15.600 7.550 1.00 35.33 H new ATOM 0 HG13 ILE A 79 10.023 -15.858 5.899 1.00 35.33 H new ATOM 0 HG21 ILE A 79 8.566 -16.416 9.328 1.00 34.42 H new ATOM 0 HG22 ILE A 79 8.557 -18.185 9.132 1.00 34.42 H new ATOM 0 HG23 ILE A 79 10.102 -17.303 9.183 1.00 34.42 H new ATOM 0 HD11 ILE A 79 9.277 -13.680 6.725 1.00 73.24 H new ATOM 0 HD12 ILE A 79 7.881 -14.733 6.390 1.00 73.24 H new ATOM 0 HD13 ILE A 79 8.416 -14.470 8.067 1.00 73.24 H new ATOM 1231 N ILE A 80 9.711 -20.370 7.874 1.00 3.22 N ATOM 1232 CA ILE A 80 9.162 -21.636 8.344 1.00 50.40 C ATOM 1233 C ILE A 80 8.545 -21.486 9.730 1.00 34.23 C ATOM 1234 O ILE A 80 9.076 -20.777 10.584 1.00 22.53 O ATOM 1235 CB ILE A 80 10.240 -22.735 8.390 1.00 10.41 C ATOM 1236 CG1 ILE A 80 10.569 -23.217 6.976 1.00 52.43 C ATOM 1237 CG2 ILE A 80 9.776 -23.896 9.257 1.00 51.32 C ATOM 1238 CD1 ILE A 80 9.576 -24.220 6.433 1.00 33.53 C ATOM 0 H ILE A 80 10.647 -20.161 8.221 1.00 3.22 H new ATOM 0 HA ILE A 80 8.388 -21.928 7.634 1.00 50.40 H new ATOM 0 HB ILE A 80 11.145 -22.317 8.831 1.00 10.41 H new ATOM 0 HG12 ILE A 80 10.607 -22.357 6.307 1.00 52.43 H new ATOM 0 HG13 ILE A 80 11.563 -23.665 6.976 1.00 52.43 H new ATOM 0 HG21 ILE A 80 10.549 -24.665 9.280 1.00 51.32 H new ATOM 0 HG22 ILE A 80 9.588 -23.541 10.270 1.00 51.32 H new ATOM 0 HG23 ILE A 80 8.859 -24.315 8.843 1.00 51.32 H new ATOM 0 HD11 ILE A 80 9.872 -24.517 5.427 1.00 33.53 H new ATOM 0 HD12 ILE A 80 9.555 -25.097 7.079 1.00 33.53 H new ATOM 0 HD13 ILE A 80 8.584 -23.769 6.401 1.00 33.53 H new ATOM 1250 N MET A 81 7.420 -22.160 9.947 1.00 70.41 N ATOM 1251 CA MET A 81 6.732 -22.105 11.231 1.00 14.04 C ATOM 1252 C MET A 81 6.255 -23.491 11.653 1.00 20.30 C ATOM 1253 O MET A 81 5.617 -24.203 10.876 1.00 22.25 O ATOM 1254 CB MET A 81 5.543 -21.145 11.156 1.00 75.31 C ATOM 1255 CG MET A 81 5.759 -19.984 10.199 1.00 75.21 C ATOM 1256 SD MET A 81 4.322 -18.901 10.086 1.00 13.30 S ATOM 1257 CE MET A 81 3.050 -20.072 9.618 1.00 63.04 C ATOM 0 H MET A 81 6.966 -22.750 9.250 1.00 70.41 H new ATOM 0 HA MET A 81 7.438 -21.741 11.977 1.00 14.04 H new ATOM 0 HB2 MET A 81 4.657 -21.700 10.847 1.00 75.31 H new ATOM 0 HB3 MET A 81 5.341 -20.751 12.152 1.00 75.31 H new ATOM 0 HG2 MET A 81 6.622 -19.404 10.527 1.00 75.21 H new ATOM 0 HG3 MET A 81 5.994 -20.374 9.209 1.00 75.21 H new ATOM 0 HE1 MET A 81 2.516 -19.699 8.744 1.00 63.04 H new ATOM 0 HE2 MET A 81 3.509 -21.032 9.382 1.00 63.04 H new ATOM 0 HE3 MET A 81 2.350 -20.198 10.444 1.00 63.04 H new ATOM 1267 N THR A 82 6.569 -23.870 12.888 1.00 13.13 N ATOM 1268 CA THR A 82 6.174 -25.171 13.412 1.00 30.33 C ATOM 1269 C THR A 82 6.524 -25.298 14.891 1.00 41.05 C ATOM 1270 O THR A 82 5.684 -25.675 15.707 1.00 50.11 O ATOM 1271 CB THR A 82 6.849 -26.318 12.636 1.00 4.33 C ATOM 1272 OG1 THR A 82 6.676 -27.554 13.339 1.00 51.54 O ATOM 1273 CG2 THR A 82 8.333 -26.041 12.445 1.00 20.30 C ATOM 0 H THR A 82 7.096 -23.294 13.544 1.00 13.13 H new ATOM 0 HA THR A 82 5.093 -25.246 13.289 1.00 30.33 H new ATOM 0 HB THR A 82 6.379 -26.390 11.655 1.00 4.33 H new ATOM 0 HG1 THR A 82 5.943 -28.062 12.933 1.00 51.54 H new ATOM 0 HG21 THR A 82 8.789 -26.864 11.895 1.00 20.30 H new ATOM 0 HG22 THR A 82 8.461 -25.115 11.885 1.00 20.30 H new ATOM 0 HG23 THR A 82 8.814 -25.945 13.419 1.00 20.30 H new ATOM 1281 N ALA A 83 7.770 -24.980 15.228 1.00 35.12 N ATOM 1282 CA ALA A 83 8.230 -25.056 16.609 1.00 14.13 C ATOM 1283 C ALA A 83 8.324 -26.504 17.078 1.00 51.03 C ATOM 1284 O ALA A 83 8.187 -27.434 16.283 1.00 73.52 O ATOM 1285 CB ALA A 83 7.302 -24.264 17.519 1.00 74.32 C ATOM 0 H ALA A 83 8.478 -24.668 14.564 1.00 35.12 H new ATOM 0 HA ALA A 83 9.228 -24.620 16.658 1.00 14.13 H new ATOM 0 HB1 ALA A 83 7.658 -24.330 18.547 1.00 74.32 H new ATOM 0 HB2 ALA A 83 7.289 -23.220 17.206 1.00 74.32 H new ATOM 0 HB3 ALA A 83 6.294 -24.674 17.457 1.00 74.32 H new ATOM 1291 N HIS A 84 8.560 -26.688 18.373 1.00 52.01 N ATOM 1292 CA HIS A 84 8.673 -28.024 18.947 1.00 33.02 C ATOM 1293 C HIS A 84 9.418 -28.961 18.001 1.00 11.22 C ATOM 1294 O HIS A 84 10.219 -28.519 17.177 1.00 14.44 O ATOM 1295 CB HIS A 84 7.286 -28.589 19.255 1.00 54.31 C ATOM 1296 CG HIS A 84 6.462 -28.855 18.032 1.00 4.53 C ATOM 1297 ND1 HIS A 84 6.373 -30.097 17.441 1.00 51.23 N ATOM 1298 CD2 HIS A 84 5.687 -28.029 17.291 1.00 60.45 C ATOM 1299 CE1 HIS A 84 5.580 -30.024 16.387 1.00 74.12 C ATOM 1300 NE2 HIS A 84 5.150 -28.780 16.274 1.00 72.20 N ATOM 0 H HIS A 84 8.677 -25.929 19.044 1.00 52.01 H new ATOM 0 HA HIS A 84 9.240 -27.947 19.875 1.00 33.02 H new ATOM 0 HB2 HIS A 84 7.397 -29.516 19.817 1.00 54.31 H new ATOM 0 HB3 HIS A 84 6.752 -27.889 19.898 1.00 54.31 H new ATOM 0 HD1 HIS A 84 6.845 -30.940 17.766 1.00 51.23 H new ATOM 0 HD2 HIS A 84 5.522 -26.976 17.467 1.00 60.45 H new ATOM 0 HE1 HIS A 84 5.326 -30.842 15.729 1.00 74.12 H new ATOM 1308 N SER A 85 9.149 -30.257 18.126 1.00 4.40 N ATOM 1309 CA SER A 85 9.798 -31.256 17.285 1.00 31.14 C ATOM 1310 C SER A 85 9.560 -30.960 15.808 1.00 70.23 C ATOM 1311 O SER A 85 8.570 -31.404 15.226 1.00 13.31 O ATOM 1312 CB SER A 85 9.280 -32.654 17.627 1.00 32.40 C ATOM 1313 OG SER A 85 7.892 -32.763 17.362 1.00 40.03 O ATOM 0 H SER A 85 8.487 -30.639 18.801 1.00 4.40 H new ATOM 0 HA SER A 85 10.870 -31.216 17.477 1.00 31.14 H new ATOM 0 HB2 SER A 85 9.824 -33.399 17.046 1.00 32.40 H new ATOM 0 HB3 SER A 85 9.471 -32.869 18.679 1.00 32.40 H new ATOM 0 HG SER A 85 7.699 -32.398 16.473 1.00 40.03 H new ATOM 1319 N ASP A 86 10.475 -30.208 15.207 1.00 41.22 N ATOM 1320 CA ASP A 86 10.367 -29.852 13.797 1.00 71.44 C ATOM 1321 C ASP A 86 11.455 -28.859 13.402 1.00 51.33 C ATOM 1322 O ASP A 86 12.021 -28.942 12.311 1.00 74.24 O ATOM 1323 CB ASP A 86 8.987 -29.261 13.502 1.00 25.01 C ATOM 1324 CG ASP A 86 8.088 -30.231 12.761 1.00 1.21 C ATOM 1325 OD1 ASP A 86 8.601 -30.978 11.902 1.00 62.30 O ATOM 1326 OD2 ASP A 86 6.871 -30.243 13.041 1.00 43.22 O ATOM 0 H ASP A 86 11.300 -29.833 15.674 1.00 41.22 H new ATOM 0 HA ASP A 86 10.498 -30.760 13.208 1.00 71.44 H new ATOM 0 HB2 ASP A 86 8.511 -28.972 14.439 1.00 25.01 H new ATOM 0 HB3 ASP A 86 9.103 -28.353 12.910 1.00 25.01 H new ATOM 1331 N LEU A 87 11.742 -27.918 14.295 1.00 65.33 N ATOM 1332 CA LEU A 87 12.762 -26.907 14.039 1.00 4.15 C ATOM 1333 C LEU A 87 14.156 -27.526 14.044 1.00 24.11 C ATOM 1334 O LEU A 87 15.014 -27.154 13.244 1.00 44.15 O ATOM 1335 CB LEU A 87 12.682 -25.797 15.089 1.00 55.34 C ATOM 1336 CG LEU A 87 12.137 -24.453 14.603 1.00 4.31 C ATOM 1337 CD1 LEU A 87 10.818 -24.644 13.871 1.00 65.04 C ATOM 1338 CD2 LEU A 87 11.966 -23.493 15.772 1.00 63.04 C ATOM 0 H LEU A 87 11.283 -27.834 15.202 1.00 65.33 H new ATOM 0 HA LEU A 87 12.577 -26.481 13.053 1.00 4.15 H new ATOM 0 HB2 LEU A 87 12.055 -26.145 15.910 1.00 55.34 H new ATOM 0 HB3 LEU A 87 13.680 -25.636 15.496 1.00 55.34 H new ATOM 0 HG LEU A 87 12.856 -24.022 13.906 1.00 4.31 H new ATOM 0 HD11 LEU A 87 10.446 -23.677 13.533 1.00 65.04 H new ATOM 0 HD12 LEU A 87 10.971 -25.295 13.010 1.00 65.04 H new ATOM 0 HD13 LEU A 87 10.090 -25.097 14.544 1.00 65.04 H new ATOM 0 HD21 LEU A 87 11.577 -22.542 15.408 1.00 63.04 H new ATOM 0 HD22 LEU A 87 11.268 -23.918 16.493 1.00 63.04 H new ATOM 0 HD23 LEU A 87 12.930 -23.331 16.253 1.00 63.04 H new ATOM 1350 N ASP A 88 14.374 -28.474 14.949 1.00 0.22 N ATOM 1351 CA ASP A 88 15.663 -29.148 15.056 1.00 11.40 C ATOM 1352 C ASP A 88 16.157 -29.596 13.684 1.00 31.12 C ATOM 1353 O ASP A 88 17.359 -29.620 13.424 1.00 24.20 O ATOM 1354 CB ASP A 88 15.557 -30.352 15.993 1.00 73.15 C ATOM 1355 CG ASP A 88 16.897 -30.748 16.581 1.00 14.32 C ATOM 1356 OD1 ASP A 88 17.868 -30.880 15.808 1.00 70.11 O ATOM 1357 OD2 ASP A 88 16.974 -30.926 17.815 1.00 13.21 O ATOM 0 H ASP A 88 13.675 -28.793 15.619 1.00 0.22 H new ATOM 0 HA ASP A 88 16.383 -28.440 15.468 1.00 11.40 H new ATOM 0 HB2 ASP A 88 14.863 -30.120 16.801 1.00 73.15 H new ATOM 0 HB3 ASP A 88 15.139 -31.198 15.447 1.00 73.15 H new ATOM 1362 N ALA A 89 15.220 -29.952 12.811 1.00 43.42 N ATOM 1363 CA ALA A 89 15.560 -30.399 11.466 1.00 43.53 C ATOM 1364 C ALA A 89 15.699 -29.216 10.513 1.00 40.00 C ATOM 1365 O ALA A 89 16.685 -29.105 9.786 1.00 65.23 O ATOM 1366 CB ALA A 89 14.510 -31.372 10.952 1.00 62.41 C ATOM 0 H ALA A 89 14.220 -29.939 13.011 1.00 43.42 H new ATOM 0 HA ALA A 89 16.522 -30.910 11.512 1.00 43.53 H new ATOM 0 HB1 ALA A 89 14.777 -31.698 9.947 1.00 62.41 H new ATOM 0 HB2 ALA A 89 14.462 -32.238 11.613 1.00 62.41 H new ATOM 0 HB3 ALA A 89 13.538 -30.879 10.928 1.00 62.41 H new ATOM 1372 N ALA A 90 14.704 -28.335 10.522 1.00 1.10 N ATOM 1373 CA ALA A 90 14.716 -27.160 9.659 1.00 4.05 C ATOM 1374 C ALA A 90 15.920 -26.273 9.957 1.00 4.12 C ATOM 1375 O ALA A 90 16.321 -25.454 9.130 1.00 61.45 O ATOM 1376 CB ALA A 90 13.425 -26.372 9.822 1.00 31.23 C ATOM 0 H ALA A 90 13.879 -28.413 11.117 1.00 1.10 H new ATOM 0 HA ALA A 90 14.794 -27.499 8.626 1.00 4.05 H new ATOM 0 HB1 ALA A 90 13.448 -25.498 9.172 1.00 31.23 H new ATOM 0 HB2 ALA A 90 12.578 -27.002 9.553 1.00 31.23 H new ATOM 0 HB3 ALA A 90 13.323 -26.051 10.859 1.00 31.23 H new ATOM 1382 N VAL A 91 16.494 -26.440 11.145 1.00 74.11 N ATOM 1383 CA VAL A 91 17.653 -25.655 11.552 1.00 54.42 C ATOM 1384 C VAL A 91 18.658 -25.527 10.412 1.00 35.05 C ATOM 1385 O VAL A 91 18.914 -24.430 9.917 1.00 54.31 O ATOM 1386 CB VAL A 91 18.354 -26.280 12.773 1.00 53.45 C ATOM 1387 CG1 VAL A 91 19.754 -25.709 12.934 1.00 4.12 C ATOM 1388 CG2 VAL A 91 17.530 -26.057 14.032 1.00 53.14 C ATOM 0 H VAL A 91 16.175 -27.112 11.842 1.00 74.11 H new ATOM 0 HA VAL A 91 17.286 -24.665 11.821 1.00 54.42 H new ATOM 0 HB VAL A 91 18.442 -27.354 12.610 1.00 53.45 H new ATOM 0 HG11 VAL A 91 20.234 -26.162 13.801 1.00 4.12 H new ATOM 0 HG12 VAL A 91 20.340 -25.925 12.041 1.00 4.12 H new ATOM 0 HG13 VAL A 91 19.693 -24.630 13.075 1.00 4.12 H new ATOM 0 HG21 VAL A 91 18.040 -26.505 14.885 1.00 53.14 H new ATOM 0 HG22 VAL A 91 17.409 -24.987 14.203 1.00 53.14 H new ATOM 0 HG23 VAL A 91 16.550 -26.519 13.912 1.00 53.14 H new ATOM 1398 N SER A 92 19.224 -26.657 10.001 1.00 10.10 N ATOM 1399 CA SER A 92 20.204 -26.672 8.921 1.00 1.35 C ATOM 1400 C SER A 92 19.517 -26.811 7.566 1.00 4.42 C ATOM 1401 O SER A 92 19.789 -26.048 6.640 1.00 53.44 O ATOM 1402 CB SER A 92 21.198 -27.817 9.122 1.00 20.32 C ATOM 1403 OG SER A 92 21.773 -28.215 7.890 1.00 60.43 O ATOM 0 H SER A 92 19.021 -27.574 10.399 1.00 10.10 H new ATOM 0 HA SER A 92 20.743 -25.725 8.940 1.00 1.35 H new ATOM 0 HB2 SER A 92 21.984 -27.504 9.809 1.00 20.32 H new ATOM 0 HB3 SER A 92 20.692 -28.666 9.582 1.00 20.32 H new ATOM 0 HG SER A 92 22.406 -28.947 8.046 1.00 60.43 H new ATOM 1409 N ALA A 93 18.627 -27.791 7.459 1.00 15.11 N ATOM 1410 CA ALA A 93 17.899 -28.030 6.219 1.00 51.21 C ATOM 1411 C ALA A 93 17.367 -26.726 5.634 1.00 1.55 C ATOM 1412 O ALA A 93 17.304 -26.560 4.416 1.00 35.30 O ATOM 1413 CB ALA A 93 16.758 -29.008 6.456 1.00 10.03 C ATOM 0 H ALA A 93 18.392 -28.433 8.216 1.00 15.11 H new ATOM 0 HA ALA A 93 18.592 -28.465 5.499 1.00 51.21 H new ATOM 0 HB1 ALA A 93 16.223 -29.177 5.521 1.00 10.03 H new ATOM 0 HB2 ALA A 93 17.159 -29.954 6.820 1.00 10.03 H new ATOM 0 HB3 ALA A 93 16.073 -28.595 7.196 1.00 10.03 H new ATOM 1419 N TYR A 94 16.986 -25.803 6.510 1.00 13.42 N ATOM 1420 CA TYR A 94 16.456 -24.514 6.081 1.00 41.24 C ATOM 1421 C TYR A 94 17.583 -23.510 5.853 1.00 35.33 C ATOM 1422 O TYR A 94 17.527 -22.698 4.931 1.00 50.14 O ATOM 1423 CB TYR A 94 15.475 -23.969 7.121 1.00 63.54 C ATOM 1424 CG TYR A 94 14.488 -22.972 6.558 1.00 73.41 C ATOM 1425 CD1 TYR A 94 13.888 -23.180 5.322 1.00 61.20 C ATOM 1426 CD2 TYR A 94 14.153 -21.823 7.263 1.00 4.31 C ATOM 1427 CE1 TYR A 94 12.986 -22.271 4.804 1.00 71.41 C ATOM 1428 CE2 TYR A 94 13.251 -20.909 6.753 1.00 21.15 C ATOM 1429 CZ TYR A 94 12.670 -21.138 5.523 1.00 5.34 C ATOM 1430 OH TYR A 94 11.771 -20.231 5.011 1.00 1.34 O ATOM 0 H TYR A 94 17.034 -25.923 7.522 1.00 13.42 H new ATOM 0 HA TYR A 94 15.929 -24.663 5.138 1.00 41.24 H new ATOM 0 HB2 TYR A 94 14.926 -24.801 7.562 1.00 63.54 H new ATOM 0 HB3 TYR A 94 16.037 -23.496 7.926 1.00 63.54 H new ATOM 0 HD1 TYR A 94 14.131 -24.068 4.757 1.00 61.20 H new ATOM 0 HD2 TYR A 94 14.605 -21.641 8.227 1.00 4.31 H new ATOM 0 HE1 TYR A 94 12.531 -22.447 3.841 1.00 71.41 H new ATOM 0 HE2 TYR A 94 13.002 -20.020 7.314 1.00 21.15 H new ATOM 0 HH TYR A 94 12.041 -19.324 5.265 1.00 1.34 H new ATOM 1440 N GLN A 95 18.604 -23.575 6.702 1.00 53.24 N ATOM 1441 CA GLN A 95 19.744 -22.672 6.594 1.00 72.21 C ATOM 1442 C GLN A 95 20.467 -22.865 5.265 1.00 51.20 C ATOM 1443 O GLN A 95 21.433 -22.163 4.967 1.00 52.04 O ATOM 1444 CB GLN A 95 20.714 -22.901 7.754 1.00 60.50 C ATOM 1445 CG GLN A 95 21.809 -23.908 7.441 1.00 23.21 C ATOM 1446 CD GLN A 95 23.074 -23.252 6.923 1.00 70.43 C ATOM 1447 OE1 GLN A 95 23.353 -22.091 7.223 1.00 21.43 O ATOM 1448 NE2 GLN A 95 23.847 -23.994 6.139 1.00 64.42 N ATOM 0 H GLN A 95 18.665 -24.242 7.471 1.00 53.24 H new ATOM 0 HA GLN A 95 19.371 -21.649 6.638 1.00 72.21 H new ATOM 0 HB2 GLN A 95 21.173 -21.950 8.026 1.00 60.50 H new ATOM 0 HB3 GLN A 95 20.153 -23.245 8.623 1.00 60.50 H new ATOM 0 HG2 GLN A 95 22.042 -24.477 8.341 1.00 23.21 H new ATOM 0 HG3 GLN A 95 21.443 -24.619 6.700 1.00 23.21 H new ATOM 0 HE21 GLN A 95 23.577 -24.952 5.916 1.00 64.42 H new ATOM 0 HE22 GLN A 95 24.711 -23.606 5.760 1.00 64.42 H new ATOM 1457 N GLN A 96 19.993 -23.820 4.472 1.00 72.20 N ATOM 1458 CA GLN A 96 20.596 -24.105 3.175 1.00 32.23 C ATOM 1459 C GLN A 96 20.231 -23.030 2.157 1.00 1.33 C ATOM 1460 O GLN A 96 20.077 -23.312 0.970 1.00 43.43 O ATOM 1461 CB GLN A 96 20.145 -25.477 2.670 1.00 52.42 C ATOM 1462 CG GLN A 96 20.842 -26.638 3.358 1.00 24.55 C ATOM 1463 CD GLN A 96 21.663 -27.478 2.399 1.00 2.33 C ATOM 1464 OE1 GLN A 96 21.155 -28.418 1.787 1.00 10.44 O ATOM 1465 NE2 GLN A 96 22.941 -27.142 2.263 1.00 73.02 N ATOM 0 H GLN A 96 19.194 -24.409 4.704 1.00 72.20 H new ATOM 0 HA GLN A 96 21.679 -24.109 3.299 1.00 32.23 H new ATOM 0 HB2 GLN A 96 19.069 -25.573 2.815 1.00 52.42 H new ATOM 0 HB3 GLN A 96 20.328 -25.538 1.597 1.00 52.42 H new ATOM 0 HG2 GLN A 96 21.491 -26.253 4.144 1.00 24.55 H new ATOM 0 HG3 GLN A 96 20.096 -27.270 3.841 1.00 24.55 H new ATOM 0 HE21 GLN A 96 23.320 -26.355 2.790 1.00 73.02 H new ATOM 0 HE22 GLN A 96 23.543 -27.671 1.632 1.00 73.02 H new ATOM 1474 N GLY A 97 20.094 -21.795 2.631 1.00 32.03 N ATOM 1475 CA GLY A 97 19.748 -20.696 1.749 1.00 14.01 C ATOM 1476 C GLY A 97 18.367 -20.139 2.032 1.00 55.44 C ATOM 1477 O GLY A 97 17.673 -19.690 1.120 1.00 53.32 O ATOM 0 H GLY A 97 20.217 -21.536 3.610 1.00 32.03 H new ATOM 0 HA2 GLY A 97 20.486 -19.901 1.857 1.00 14.01 H new ATOM 0 HA3 GLY A 97 19.794 -21.036 0.714 1.00 14.01 H new ATOM 1481 N ALA A 98 17.966 -20.169 3.298 1.00 12.33 N ATOM 1482 CA ALA A 98 16.659 -19.662 3.698 1.00 33.43 C ATOM 1483 C ALA A 98 16.791 -18.589 4.773 1.00 43.52 C ATOM 1484 O ALA A 98 17.880 -18.352 5.297 1.00 11.21 O ATOM 1485 CB ALA A 98 15.780 -20.802 4.194 1.00 43.35 C ATOM 0 H ALA A 98 18.527 -20.539 4.065 1.00 12.33 H new ATOM 0 HA ALA A 98 16.190 -19.209 2.825 1.00 33.43 H new ATOM 0 HB1 ALA A 98 14.807 -20.409 4.489 1.00 43.35 H new ATOM 0 HB2 ALA A 98 15.649 -21.534 3.397 1.00 43.35 H new ATOM 0 HB3 ALA A 98 16.254 -21.280 5.051 1.00 43.35 H new ATOM 1491 N PHE A 99 15.677 -17.941 5.096 1.00 50.41 N ATOM 1492 CA PHE A 99 15.669 -16.890 6.107 1.00 23.13 C ATOM 1493 C PHE A 99 15.274 -17.450 7.470 1.00 34.23 C ATOM 1494 O PHE A 99 14.520 -18.420 7.560 1.00 25.00 O ATOM 1495 CB PHE A 99 14.706 -15.771 5.704 1.00 64.51 C ATOM 1496 CG PHE A 99 14.382 -14.826 6.825 1.00 21.42 C ATOM 1497 CD1 PHE A 99 15.254 -13.803 7.161 1.00 62.33 C ATOM 1498 CD2 PHE A 99 13.205 -14.961 7.543 1.00 11.45 C ATOM 1499 CE1 PHE A 99 14.958 -12.933 8.193 1.00 44.23 C ATOM 1500 CE2 PHE A 99 12.903 -14.093 8.576 1.00 4.32 C ATOM 1501 CZ PHE A 99 13.781 -13.077 8.900 1.00 1.15 C ATOM 0 H PHE A 99 14.768 -18.125 4.672 1.00 50.41 H new ATOM 0 HA PHE A 99 16.677 -16.483 6.179 1.00 23.13 H new ATOM 0 HB2 PHE A 99 15.142 -15.207 4.879 1.00 64.51 H new ATOM 0 HB3 PHE A 99 13.781 -16.214 5.334 1.00 64.51 H new ATOM 0 HD1 PHE A 99 16.175 -13.684 6.610 1.00 62.33 H new ATOM 0 HD2 PHE A 99 12.515 -15.754 7.293 1.00 11.45 H new ATOM 0 HE1 PHE A 99 15.647 -12.141 8.446 1.00 44.23 H new ATOM 0 HE2 PHE A 99 11.982 -14.209 9.129 1.00 4.32 H new ATOM 0 HZ PHE A 99 13.547 -12.396 9.705 1.00 1.15 H new ATOM 1511 N ASP A 100 15.787 -16.833 8.529 1.00 41.25 N ATOM 1512 CA ASP A 100 15.488 -17.268 9.888 1.00 72.33 C ATOM 1513 C ASP A 100 13.999 -17.562 10.049 1.00 4.41 C ATOM 1514 O ASP A 100 13.159 -16.681 9.865 1.00 3.50 O ATOM 1515 CB ASP A 100 15.922 -16.203 10.895 1.00 44.51 C ATOM 1516 CG ASP A 100 15.836 -16.690 12.328 1.00 73.43 C ATOM 1517 OD1 ASP A 100 15.858 -17.921 12.538 1.00 31.41 O ATOM 1518 OD2 ASP A 100 15.746 -15.841 13.239 1.00 65.22 O ATOM 0 H ASP A 100 16.412 -16.029 8.472 1.00 41.25 H new ATOM 0 HA ASP A 100 16.044 -18.185 10.080 1.00 72.33 H new ATOM 0 HB2 ASP A 100 16.946 -15.899 10.679 1.00 44.51 H new ATOM 0 HB3 ASP A 100 15.295 -15.319 10.777 1.00 44.51 H new ATOM 1523 N TYR A 101 13.681 -18.804 10.393 1.00 74.43 N ATOM 1524 CA TYR A 101 12.293 -19.215 10.575 1.00 4.12 C ATOM 1525 C TYR A 101 11.735 -18.679 11.890 1.00 42.10 C ATOM 1526 O TYR A 101 12.461 -18.093 12.694 1.00 45.53 O ATOM 1527 CB TYR A 101 12.183 -20.740 10.545 1.00 31.25 C ATOM 1528 CG TYR A 101 13.238 -21.440 11.372 1.00 60.11 C ATOM 1529 CD1 TYR A 101 13.411 -21.136 12.716 1.00 14.25 C ATOM 1530 CD2 TYR A 101 14.062 -22.407 10.808 1.00 11.40 C ATOM 1531 CE1 TYR A 101 14.374 -21.772 13.475 1.00 70.21 C ATOM 1532 CE2 TYR A 101 15.027 -23.049 11.559 1.00 31.23 C ATOM 1533 CZ TYR A 101 15.179 -22.728 12.892 1.00 64.20 C ATOM 1534 OH TYR A 101 16.139 -23.365 13.644 1.00 22.55 O ATOM 0 H TYR A 101 14.365 -19.544 10.552 1.00 74.43 H new ATOM 0 HA TYR A 101 11.706 -18.799 9.756 1.00 4.12 H new ATOM 0 HB2 TYR A 101 11.197 -21.032 10.907 1.00 31.25 H new ATOM 0 HB3 TYR A 101 12.257 -21.081 9.512 1.00 31.25 H new ATOM 0 HD1 TYR A 101 12.781 -20.389 13.176 1.00 14.25 H new ATOM 0 HD2 TYR A 101 13.946 -22.661 9.765 1.00 11.40 H new ATOM 0 HE1 TYR A 101 14.496 -21.522 14.519 1.00 70.21 H new ATOM 0 HE2 TYR A 101 15.659 -23.798 11.105 1.00 31.23 H new ATOM 0 HH TYR A 101 15.843 -23.416 14.577 1.00 22.55 H new ATOM 1544 N LEU A 102 10.440 -18.885 12.103 1.00 42.33 N ATOM 1545 CA LEU A 102 9.782 -18.424 13.320 1.00 1.43 C ATOM 1546 C LEU A 102 8.900 -19.519 13.911 1.00 25.11 C ATOM 1547 O LEU A 102 7.933 -19.969 13.298 1.00 75.42 O ATOM 1548 CB LEU A 102 8.942 -17.179 13.029 1.00 1.33 C ATOM 1549 CG LEU A 102 7.716 -16.973 13.919 1.00 32.33 C ATOM 1550 CD1 LEU A 102 8.130 -16.452 15.286 1.00 11.45 C ATOM 1551 CD2 LEU A 102 6.731 -16.020 13.259 1.00 52.05 C ATOM 0 H LEU A 102 9.825 -19.368 11.448 1.00 42.33 H new ATOM 0 HA LEU A 102 10.554 -18.173 14.047 1.00 1.43 H new ATOM 0 HB2 LEU A 102 9.584 -16.303 13.121 1.00 1.33 H new ATOM 0 HB3 LEU A 102 8.610 -17.224 11.992 1.00 1.33 H new ATOM 0 HG LEU A 102 7.224 -17.936 14.054 1.00 32.33 H new ATOM 0 HD11 LEU A 102 7.244 -16.312 15.905 1.00 11.45 H new ATOM 0 HD12 LEU A 102 8.796 -17.171 15.763 1.00 11.45 H new ATOM 0 HD13 LEU A 102 8.647 -15.499 15.171 1.00 11.45 H new ATOM 0 HD21 LEU A 102 5.865 -15.886 13.907 1.00 52.05 H new ATOM 0 HD22 LEU A 102 7.213 -15.057 13.093 1.00 52.05 H new ATOM 0 HD23 LEU A 102 6.409 -16.434 12.304 1.00 52.05 H new ATOM 1563 N PRO A 103 9.240 -19.958 15.132 1.00 10.03 N ATOM 1564 CA PRO A 103 8.490 -21.004 15.834 1.00 24.03 C ATOM 1565 C PRO A 103 7.112 -20.529 16.281 1.00 1.10 C ATOM 1566 O PRO A 103 6.935 -19.370 16.657 1.00 10.02 O ATOM 1567 CB PRO A 103 9.368 -21.315 17.049 1.00 64.21 C ATOM 1568 CG PRO A 103 10.150 -20.068 17.280 1.00 24.44 C ATOM 1569 CD PRO A 103 10.381 -19.466 15.922 1.00 25.30 C ATOM 0 HA PRO A 103 8.300 -21.867 15.196 1.00 24.03 H new ATOM 0 HB2 PRO A 103 8.764 -21.570 17.919 1.00 64.21 H new ATOM 0 HB3 PRO A 103 10.024 -22.164 16.857 1.00 64.21 H new ATOM 0 HG2 PRO A 103 9.604 -19.379 17.924 1.00 24.44 H new ATOM 0 HG3 PRO A 103 11.096 -20.287 17.776 1.00 24.44 H new ATOM 0 HD2 PRO A 103 10.401 -18.377 15.963 1.00 25.30 H new ATOM 0 HD3 PRO A 103 11.332 -19.787 15.497 1.00 25.30 H new ATOM 1577 N LYS A 104 6.138 -21.431 16.238 1.00 73.21 N ATOM 1578 CA LYS A 104 4.774 -21.106 16.640 1.00 44.41 C ATOM 1579 C LYS A 104 4.436 -21.744 17.983 1.00 20.31 C ATOM 1580 O LYS A 104 4.944 -22.809 18.337 1.00 12.51 O ATOM 1581 CB LYS A 104 3.781 -21.575 15.575 1.00 32.40 C ATOM 1582 CG LYS A 104 3.530 -20.550 14.483 1.00 60.34 C ATOM 1583 CD LYS A 104 2.701 -21.133 13.350 1.00 23.53 C ATOM 1584 CE LYS A 104 1.429 -20.332 13.120 1.00 5.43 C ATOM 1585 NZ LYS A 104 0.622 -20.204 14.365 1.00 53.33 N ATOM 0 H LYS A 104 6.268 -22.394 15.928 1.00 73.21 H new ATOM 0 HA LYS A 104 4.701 -20.023 16.744 1.00 44.41 H new ATOM 0 HB2 LYS A 104 4.155 -22.493 15.121 1.00 32.40 H new ATOM 0 HB3 LYS A 104 2.834 -21.820 16.056 1.00 32.40 H new ATOM 0 HG2 LYS A 104 3.015 -19.687 14.905 1.00 60.34 H new ATOM 0 HG3 LYS A 104 4.483 -20.193 14.092 1.00 60.34 H new ATOM 0 HD2 LYS A 104 3.293 -21.148 12.435 1.00 23.53 H new ATOM 0 HD3 LYS A 104 2.444 -22.167 13.580 1.00 23.53 H new ATOM 0 HE2 LYS A 104 1.687 -19.339 12.750 1.00 5.43 H new ATOM 0 HE3 LYS A 104 0.831 -20.815 12.347 1.00 5.43 H new ATOM 0 HZ1 LYS A 104 -0.383 -20.100 14.118 1.00 53.33 H new ATOM 0 HZ2 LYS A 104 0.749 -21.055 14.950 1.00 53.33 H new ATOM 0 HZ3 LYS A 104 0.936 -19.368 14.898 1.00 53.33 H new ATOM 1599 N PRO A 105 3.557 -21.082 18.750 1.00 51.14 N ATOM 1600 CA PRO A 105 2.946 -19.814 18.339 1.00 44.01 C ATOM 1601 C PRO A 105 3.949 -18.665 18.326 1.00 61.34 C ATOM 1602 O PRO A 105 5.121 -18.847 18.657 1.00 12.02 O ATOM 1603 CB PRO A 105 1.874 -19.575 19.405 1.00 72.24 C ATOM 1604 CG PRO A 105 2.358 -20.317 20.602 1.00 2.34 C ATOM 1605 CD PRO A 105 3.091 -21.519 20.076 1.00 25.54 C ATOM 0 HA PRO A 105 2.554 -19.861 17.323 1.00 44.01 H new ATOM 0 HB2 PRO A 105 1.758 -18.512 19.618 1.00 72.24 H new ATOM 0 HB3 PRO A 105 0.901 -19.943 19.078 1.00 72.24 H new ATOM 0 HG2 PRO A 105 3.015 -19.694 21.208 1.00 2.34 H new ATOM 0 HG3 PRO A 105 1.525 -20.616 21.239 1.00 2.34 H new ATOM 0 HD2 PRO A 105 3.923 -21.797 20.723 1.00 25.54 H new ATOM 0 HD3 PRO A 105 2.438 -22.389 20.006 1.00 25.54 H new ATOM 1613 N PHE A 106 3.482 -17.482 17.941 1.00 74.31 N ATOM 1614 CA PHE A 106 4.338 -16.303 17.884 1.00 22.50 C ATOM 1615 C PHE A 106 3.515 -15.026 18.020 1.00 51.11 C ATOM 1616 O PHE A 106 2.288 -15.052 17.922 1.00 31.15 O ATOM 1617 CB PHE A 106 5.124 -16.280 16.571 1.00 35.41 C ATOM 1618 CG PHE A 106 4.252 -16.349 15.350 1.00 53.41 C ATOM 1619 CD1 PHE A 106 3.431 -15.286 15.008 1.00 12.02 C ATOM 1620 CD2 PHE A 106 4.253 -17.476 14.544 1.00 52.42 C ATOM 1621 CE1 PHE A 106 2.628 -15.345 13.885 1.00 74.31 C ATOM 1622 CE2 PHE A 106 3.452 -17.540 13.419 1.00 22.42 C ATOM 1623 CZ PHE A 106 2.638 -16.475 13.090 1.00 53.40 C ATOM 0 H PHE A 106 2.515 -17.314 17.664 1.00 74.31 H new ATOM 0 HA PHE A 106 5.038 -16.353 18.718 1.00 22.50 H new ATOM 0 HB2 PHE A 106 5.721 -15.369 16.530 1.00 35.41 H new ATOM 0 HB3 PHE A 106 5.820 -17.119 16.559 1.00 35.41 H new ATOM 0 HD1 PHE A 106 3.419 -14.401 15.627 1.00 12.02 H new ATOM 0 HD2 PHE A 106 4.886 -18.313 14.797 1.00 52.42 H new ATOM 0 HE1 PHE A 106 1.994 -14.509 13.629 1.00 74.31 H new ATOM 0 HE2 PHE A 106 3.463 -18.423 12.798 1.00 22.42 H new ATOM 0 HZ PHE A 106 2.010 -16.525 12.213 1.00 53.40 H new ATOM 1633 N ASP A 107 4.199 -13.910 18.246 1.00 40.11 N ATOM 1634 CA ASP A 107 3.532 -12.621 18.395 1.00 64.41 C ATOM 1635 C ASP A 107 3.397 -11.921 17.047 1.00 53.33 C ATOM 1636 O ASP A 107 4.390 -11.504 16.450 1.00 61.20 O ATOM 1637 CB ASP A 107 4.306 -11.733 19.370 1.00 41.30 C ATOM 1638 CG ASP A 107 4.238 -12.242 20.796 1.00 23.13 C ATOM 1639 OD1 ASP A 107 3.278 -11.884 21.509 1.00 55.33 O ATOM 1640 OD2 ASP A 107 5.146 -12.998 21.200 1.00 24.54 O ATOM 0 H ASP A 107 5.215 -13.871 18.330 1.00 40.11 H new ATOM 0 HA ASP A 107 2.533 -12.799 18.793 1.00 64.41 H new ATOM 0 HB2 ASP A 107 5.348 -11.677 19.057 1.00 41.30 H new ATOM 0 HB3 ASP A 107 3.906 -10.720 19.330 1.00 41.30 H new ATOM 1645 N ILE A 108 2.162 -11.795 16.573 1.00 72.35 N ATOM 1646 CA ILE A 108 1.897 -11.145 15.295 1.00 31.31 C ATOM 1647 C ILE A 108 2.697 -9.855 15.159 1.00 43.54 C ATOM 1648 O ILE A 108 3.157 -9.509 14.070 1.00 55.11 O ATOM 1649 CB ILE A 108 0.399 -10.828 15.125 1.00 65.03 C ATOM 1650 CG1 ILE A 108 -0.380 -12.103 14.797 1.00 33.13 C ATOM 1651 CG2 ILE A 108 0.200 -9.784 14.036 1.00 32.21 C ATOM 1652 CD1 ILE A 108 -1.818 -12.069 15.266 1.00 71.20 C ATOM 0 H ILE A 108 1.329 -12.134 17.054 1.00 72.35 H new ATOM 0 HA ILE A 108 2.203 -11.843 14.516 1.00 31.31 H new ATOM 0 HB ILE A 108 0.019 -10.424 16.063 1.00 65.03 H new ATOM 0 HG12 ILE A 108 -0.361 -12.263 13.719 1.00 33.13 H new ATOM 0 HG13 ILE A 108 0.123 -12.955 15.255 1.00 33.13 H new ATOM 0 HG21 ILE A 108 -0.863 -9.570 13.927 1.00 32.21 H new ATOM 0 HG22 ILE A 108 0.728 -8.870 14.307 1.00 32.21 H new ATOM 0 HG23 ILE A 108 0.592 -10.163 13.092 1.00 32.21 H new ATOM 0 HD11 ILE A 108 -2.310 -13.005 15.000 1.00 71.20 H new ATOM 0 HD12 ILE A 108 -1.845 -11.940 16.348 1.00 71.20 H new ATOM 0 HD13 ILE A 108 -2.337 -11.238 14.788 1.00 71.20 H new ATOM 1664 N ASP A 109 2.862 -9.147 16.271 1.00 51.23 N ATOM 1665 CA ASP A 109 3.610 -7.895 16.277 1.00 51.14 C ATOM 1666 C ASP A 109 4.999 -8.089 15.678 1.00 64.33 C ATOM 1667 O ASP A 109 5.458 -7.278 14.874 1.00 74.11 O ATOM 1668 CB ASP A 109 3.727 -7.353 17.702 1.00 54.51 C ATOM 1669 CG ASP A 109 3.677 -5.838 17.751 1.00 74.10 C ATOM 1670 OD1 ASP A 109 2.634 -5.266 17.369 1.00 43.23 O ATOM 1671 OD2 ASP A 109 4.679 -5.225 18.172 1.00 24.25 O ATOM 0 H ASP A 109 2.488 -9.419 17.180 1.00 51.23 H new ATOM 0 HA ASP A 109 3.068 -7.174 15.666 1.00 51.14 H new ATOM 0 HB2 ASP A 109 2.919 -7.760 18.310 1.00 54.51 H new ATOM 0 HB3 ASP A 109 4.662 -7.697 18.143 1.00 54.51 H new ATOM 1676 N GLU A 110 5.664 -9.169 16.076 1.00 24.22 N ATOM 1677 CA GLU A 110 7.002 -9.468 15.580 1.00 44.04 C ATOM 1678 C GLU A 110 6.941 -10.071 14.179 1.00 10.20 C ATOM 1679 O GLU A 110 7.857 -9.896 13.376 1.00 53.12 O ATOM 1680 CB GLU A 110 7.720 -10.429 16.529 1.00 22.24 C ATOM 1681 CG GLU A 110 9.235 -10.369 16.426 1.00 71.53 C ATOM 1682 CD GLU A 110 9.769 -11.137 15.232 1.00 73.30 C ATOM 1683 OE1 GLU A 110 9.635 -12.379 15.216 1.00 3.44 O ATOM 1684 OE2 GLU A 110 10.320 -10.496 14.313 1.00 52.30 O ATOM 0 H GLU A 110 5.298 -9.851 16.740 1.00 24.22 H new ATOM 0 HA GLU A 110 7.560 -8.533 15.531 1.00 44.04 H new ATOM 0 HB2 GLU A 110 7.425 -10.202 17.554 1.00 22.24 H new ATOM 0 HB3 GLU A 110 7.390 -11.447 16.320 1.00 22.24 H new ATOM 0 HG2 GLU A 110 9.550 -9.328 16.354 1.00 71.53 H new ATOM 0 HG3 GLU A 110 9.674 -10.772 17.339 1.00 71.53 H new ATOM 1691 N ALA A 111 5.855 -10.782 13.894 1.00 12.24 N ATOM 1692 CA ALA A 111 5.672 -11.409 12.592 1.00 63.44 C ATOM 1693 C ALA A 111 5.531 -10.362 11.492 1.00 4.15 C ATOM 1694 O ALA A 111 6.277 -10.371 10.513 1.00 74.34 O ATOM 1695 CB ALA A 111 4.456 -12.323 12.612 1.00 72.13 C ATOM 0 H ALA A 111 5.088 -10.938 14.548 1.00 12.24 H new ATOM 0 HA ALA A 111 6.558 -12.006 12.377 1.00 63.44 H new ATOM 0 HB1 ALA A 111 4.332 -12.785 11.632 1.00 72.13 H new ATOM 0 HB2 ALA A 111 4.597 -13.100 13.364 1.00 72.13 H new ATOM 0 HB3 ALA A 111 3.567 -11.741 12.854 1.00 72.13 H new ATOM 1701 N VAL A 112 4.570 -9.459 11.661 1.00 21.32 N ATOM 1702 CA VAL A 112 4.332 -8.404 10.683 1.00 33.44 C ATOM 1703 C VAL A 112 5.617 -7.649 10.365 1.00 23.32 C ATOM 1704 O VAL A 112 5.829 -7.213 9.234 1.00 24.51 O ATOM 1705 CB VAL A 112 3.272 -7.404 11.184 1.00 63.55 C ATOM 1706 CG1 VAL A 112 3.318 -6.124 10.364 1.00 1.44 C ATOM 1707 CG2 VAL A 112 1.886 -8.029 11.135 1.00 1.10 C ATOM 0 H VAL A 112 3.944 -9.437 12.466 1.00 21.32 H new ATOM 0 HA VAL A 112 3.966 -8.888 9.778 1.00 33.44 H new ATOM 0 HB VAL A 112 3.495 -7.152 12.221 1.00 63.55 H new ATOM 0 HG11 VAL A 112 2.563 -5.429 10.731 1.00 1.44 H new ATOM 0 HG12 VAL A 112 4.304 -5.669 10.455 1.00 1.44 H new ATOM 0 HG13 VAL A 112 3.120 -6.355 9.317 1.00 1.44 H new ATOM 0 HG21 VAL A 112 1.149 -7.309 11.492 1.00 1.10 H new ATOM 0 HG22 VAL A 112 1.650 -8.311 10.109 1.00 1.10 H new ATOM 0 HG23 VAL A 112 1.864 -8.915 11.769 1.00 1.10 H new ATOM 1717 N ALA A 113 6.473 -7.499 11.371 1.00 51.41 N ATOM 1718 CA ALA A 113 7.739 -6.798 11.198 1.00 65.21 C ATOM 1719 C ALA A 113 8.813 -7.733 10.650 1.00 1.54 C ATOM 1720 O ALA A 113 9.777 -7.289 10.025 1.00 0.51 O ATOM 1721 CB ALA A 113 8.190 -6.189 12.517 1.00 2.03 C ATOM 0 H ALA A 113 6.312 -7.854 12.314 1.00 51.41 H new ATOM 0 HA ALA A 113 7.587 -5.997 10.474 1.00 65.21 H new ATOM 0 HB1 ALA A 113 9.137 -5.669 12.373 1.00 2.03 H new ATOM 0 HB2 ALA A 113 7.438 -5.483 12.868 1.00 2.03 H new ATOM 0 HB3 ALA A 113 8.319 -6.979 13.257 1.00 2.03 H new ATOM 1727 N LEU A 114 8.641 -9.028 10.889 1.00 2.14 N ATOM 1728 CA LEU A 114 9.596 -10.026 10.420 1.00 4.24 C ATOM 1729 C LEU A 114 9.593 -10.109 8.897 1.00 31.53 C ATOM 1730 O LEU A 114 10.648 -10.128 8.264 1.00 42.34 O ATOM 1731 CB LEU A 114 9.269 -11.395 11.018 1.00 35.05 C ATOM 1732 CG LEU A 114 10.141 -12.559 10.548 1.00 71.32 C ATOM 1733 CD1 LEU A 114 11.494 -12.527 11.241 1.00 10.13 C ATOM 1734 CD2 LEU A 114 9.441 -13.887 10.802 1.00 41.43 C ATOM 0 H LEU A 114 7.849 -9.412 11.405 1.00 2.14 H new ATOM 0 HA LEU A 114 10.591 -9.723 10.747 1.00 4.24 H new ATOM 0 HB2 LEU A 114 9.348 -11.323 12.103 1.00 35.05 H new ATOM 0 HB3 LEU A 114 8.230 -11.630 10.789 1.00 35.05 H new ATOM 0 HG LEU A 114 10.303 -12.456 9.475 1.00 71.32 H new ATOM 0 HD11 LEU A 114 12.101 -13.363 10.894 1.00 10.13 H new ATOM 0 HD12 LEU A 114 12.000 -11.590 11.008 1.00 10.13 H new ATOM 0 HD13 LEU A 114 11.353 -12.605 12.319 1.00 10.13 H new ATOM 0 HD21 LEU A 114 10.077 -14.704 10.461 1.00 41.43 H new ATOM 0 HD22 LEU A 114 9.248 -13.998 11.869 1.00 41.43 H new ATOM 0 HD23 LEU A 114 8.497 -13.910 10.258 1.00 41.43 H new ATOM 1746 N VAL A 115 8.399 -10.158 8.315 1.00 12.02 N ATOM 1747 CA VAL A 115 8.257 -10.236 6.866 1.00 24.11 C ATOM 1748 C VAL A 115 8.854 -9.007 6.189 1.00 74.32 C ATOM 1749 O VAL A 115 9.494 -9.113 5.144 1.00 43.24 O ATOM 1750 CB VAL A 115 6.780 -10.370 6.453 1.00 73.21 C ATOM 1751 CG1 VAL A 115 5.957 -9.231 7.034 1.00 11.33 C ATOM 1752 CG2 VAL A 115 6.652 -10.412 4.938 1.00 44.34 C ATOM 0 H VAL A 115 7.516 -10.145 8.825 1.00 12.02 H new ATOM 0 HA VAL A 115 8.798 -11.125 6.542 1.00 24.11 H new ATOM 0 HB VAL A 115 6.393 -11.307 6.854 1.00 73.21 H new ATOM 0 HG11 VAL A 115 4.916 -9.343 6.731 1.00 11.33 H new ATOM 0 HG12 VAL A 115 6.023 -9.253 8.122 1.00 11.33 H new ATOM 0 HG13 VAL A 115 6.342 -8.280 6.666 1.00 11.33 H new ATOM 0 HG21 VAL A 115 5.601 -10.507 4.664 1.00 44.34 H new ATOM 0 HG22 VAL A 115 7.056 -9.493 4.513 1.00 44.34 H new ATOM 0 HG23 VAL A 115 7.207 -11.266 4.550 1.00 44.34 H new ATOM 1762 N GLU A 116 8.638 -7.843 6.792 1.00 2.53 N ATOM 1763 CA GLU A 116 9.155 -6.593 6.246 1.00 33.03 C ATOM 1764 C GLU A 116 10.664 -6.674 6.036 1.00 0.21 C ATOM 1765 O GLU A 116 11.210 -6.045 5.130 1.00 53.55 O ATOM 1766 CB GLU A 116 8.820 -5.426 7.178 1.00 22.52 C ATOM 1767 CG GLU A 116 8.210 -4.232 6.464 1.00 73.51 C ATOM 1768 CD GLU A 116 7.682 -3.185 7.425 1.00 44.31 C ATOM 1769 OE1 GLU A 116 8.374 -2.896 8.424 1.00 52.40 O ATOM 1770 OE2 GLU A 116 6.579 -2.654 7.178 1.00 22.45 O ATOM 0 H GLU A 116 8.109 -7.739 7.658 1.00 2.53 H new ATOM 0 HA GLU A 116 8.680 -6.424 5.280 1.00 33.03 H new ATOM 0 HB2 GLU A 116 8.128 -5.772 7.945 1.00 22.52 H new ATOM 0 HB3 GLU A 116 9.729 -5.108 7.689 1.00 22.52 H new ATOM 0 HG2 GLU A 116 8.960 -3.779 5.815 1.00 73.51 H new ATOM 0 HG3 GLU A 116 7.398 -4.573 5.822 1.00 73.51 H new ATOM 1777 N ARG A 117 11.332 -7.452 6.881 1.00 63.20 N ATOM 1778 CA ARG A 117 12.778 -7.614 6.790 1.00 63.33 C ATOM 1779 C ARG A 117 13.155 -8.454 5.573 1.00 24.40 C ATOM 1780 O ARG A 117 14.257 -8.332 5.039 1.00 42.50 O ATOM 1781 CB ARG A 117 13.321 -8.268 8.062 1.00 11.41 C ATOM 1782 CG ARG A 117 14.716 -8.850 7.900 1.00 35.05 C ATOM 1783 CD ARG A 117 15.515 -8.747 9.190 1.00 70.40 C ATOM 1784 NE ARG A 117 15.910 -7.372 9.481 1.00 44.02 N ATOM 1785 CZ ARG A 117 16.574 -7.014 10.574 1.00 1.33 C ATOM 1786 NH1 ARG A 117 16.915 -7.925 11.475 1.00 1.31 N ATOM 1787 NH2 ARG A 117 16.898 -5.742 10.768 1.00 5.31 N ATOM 0 H ARG A 117 10.895 -7.980 7.636 1.00 63.20 H new ATOM 0 HA ARG A 117 13.223 -6.625 6.680 1.00 63.33 H new ATOM 0 HB2 ARG A 117 13.336 -7.529 8.863 1.00 11.41 H new ATOM 0 HB3 ARG A 117 12.640 -9.060 8.372 1.00 11.41 H new ATOM 0 HG2 ARG A 117 14.643 -9.895 7.598 1.00 35.05 H new ATOM 0 HG3 ARG A 117 15.241 -8.324 7.103 1.00 35.05 H new ATOM 0 HD2 ARG A 117 14.920 -9.136 10.017 1.00 70.40 H new ATOM 0 HD3 ARG A 117 16.405 -9.372 9.116 1.00 70.40 H new ATOM 0 HE ARG A 117 15.662 -6.647 8.808 1.00 44.02 H new ATOM 0 HH11 ARG A 117 16.667 -8.904 11.330 1.00 1.31 H new ATOM 0 HH12 ARG A 117 17.425 -7.647 12.313 1.00 1.31 H new ATOM 0 HH21 ARG A 117 16.637 -5.038 10.077 1.00 5.31 H new ATOM 0 HH22 ARG A 117 17.408 -5.468 11.608 1.00 5.31 H new ATOM 1801 N ALA A 118 12.233 -9.308 5.141 1.00 21.31 N ATOM 1802 CA ALA A 118 12.468 -10.167 3.987 1.00 21.43 C ATOM 1803 C ALA A 118 12.161 -9.435 2.686 1.00 50.23 C ATOM 1804 O ALA A 118 12.838 -9.633 1.677 1.00 45.54 O ATOM 1805 CB ALA A 118 11.631 -11.433 4.093 1.00 71.52 C ATOM 0 H ALA A 118 11.316 -9.423 5.573 1.00 21.31 H new ATOM 0 HA ALA A 118 13.523 -10.441 3.978 1.00 21.43 H new ATOM 0 HB1 ALA A 118 11.816 -12.065 3.225 1.00 71.52 H new ATOM 0 HB2 ALA A 118 11.902 -11.973 5.000 1.00 71.52 H new ATOM 0 HB3 ALA A 118 10.574 -11.168 4.130 1.00 71.52 H new ATOM 1811 N ILE A 119 11.136 -8.590 2.716 1.00 42.45 N ATOM 1812 CA ILE A 119 10.740 -7.828 1.538 1.00 44.34 C ATOM 1813 C ILE A 119 11.664 -6.634 1.319 1.00 63.42 C ATOM 1814 O ILE A 119 12.178 -6.428 0.220 1.00 42.54 O ATOM 1815 CB ILE A 119 9.289 -7.325 1.654 1.00 44.41 C ATOM 1816 CG1 ILE A 119 8.331 -8.504 1.833 1.00 13.55 C ATOM 1817 CG2 ILE A 119 8.911 -6.510 0.426 1.00 4.20 C ATOM 1818 CD1 ILE A 119 7.044 -8.134 2.538 1.00 23.24 C ATOM 0 H ILE A 119 10.565 -8.416 3.543 1.00 42.45 H new ATOM 0 HA ILE A 119 10.815 -8.504 0.686 1.00 44.34 H new ATOM 0 HB ILE A 119 9.212 -6.682 2.531 1.00 44.41 H new ATOM 0 HG12 ILE A 119 8.093 -8.921 0.854 1.00 13.55 H new ATOM 0 HG13 ILE A 119 8.834 -9.288 2.399 1.00 13.55 H new ATOM 0 HG21 ILE A 119 7.883 -6.162 0.523 1.00 4.20 H new ATOM 0 HG22 ILE A 119 9.578 -5.652 0.339 1.00 4.20 H new ATOM 0 HG23 ILE A 119 9.001 -7.131 -0.465 1.00 4.20 H new ATOM 0 HD11 ILE A 119 6.413 -9.018 2.630 1.00 23.24 H new ATOM 0 HD12 ILE A 119 7.272 -7.745 3.531 1.00 23.24 H new ATOM 0 HD13 ILE A 119 6.519 -7.372 1.961 1.00 23.24 H new ATOM 1830 N SER A 120 11.872 -5.853 2.374 1.00 44.24 N ATOM 1831 CA SER A 120 12.733 -4.678 2.297 1.00 63.32 C ATOM 1832 C SER A 120 14.143 -5.066 1.861 1.00 50.34 C ATOM 1833 O SER A 120 14.866 -4.262 1.270 1.00 34.12 O ATOM 1834 CB SER A 120 12.783 -3.967 3.650 1.00 23.14 C ATOM 1835 OG SER A 120 11.523 -3.411 3.981 1.00 13.22 O ATOM 0 H SER A 120 11.457 -6.012 3.292 1.00 44.24 H new ATOM 0 HA SER A 120 12.315 -3.999 1.553 1.00 63.32 H new ATOM 0 HB2 SER A 120 13.087 -4.672 4.424 1.00 23.14 H new ATOM 0 HB3 SER A 120 13.536 -3.179 3.623 1.00 23.14 H new ATOM 0 HG SER A 120 10.989 -4.075 4.465 1.00 13.22 H new ATOM 1841 N HIS A 121 14.528 -6.303 2.156 1.00 71.30 N ATOM 1842 CA HIS A 121 15.851 -6.799 1.794 1.00 21.24 C ATOM 1843 C HIS A 121 16.116 -6.604 0.304 1.00 32.45 C ATOM 1844 O HIS A 121 17.263 -6.455 -0.118 1.00 74.01 O ATOM 1845 CB HIS A 121 15.982 -8.278 2.158 1.00 34.53 C ATOM 1846 CG HIS A 121 17.392 -8.782 2.122 1.00 74.21 C ATOM 1847 ND1 HIS A 121 17.969 -9.321 0.992 1.00 44.13 N ATOM 1848 CD2 HIS A 121 18.342 -8.825 3.085 1.00 35.12 C ATOM 1849 CE1 HIS A 121 19.213 -9.675 1.262 1.00 61.12 C ATOM 1850 NE2 HIS A 121 19.464 -9.384 2.526 1.00 71.54 N ATOM 0 H HIS A 121 13.943 -6.981 2.645 1.00 71.30 H new ATOM 0 HA HIS A 121 16.591 -6.228 2.354 1.00 21.24 H new ATOM 0 HB2 HIS A 121 15.574 -8.435 3.157 1.00 34.53 H new ATOM 0 HB3 HIS A 121 15.376 -8.868 1.470 1.00 34.53 H new ATOM 0 HD2 HIS A 121 18.237 -8.483 4.104 1.00 35.12 H new ATOM 0 HE1 HIS A 121 19.907 -10.126 0.568 1.00 61.12 H new ATOM 0 HE2 HIS A 121 20.348 -9.548 3.008 1.00 71.54 H new ATOM 1858 N TYR A 122 15.049 -6.608 -0.486 1.00 74.03 N ATOM 1859 CA TYR A 122 15.166 -6.435 -1.929 1.00 71.03 C ATOM 1860 C TYR A 122 15.744 -5.065 -2.268 1.00 43.45 C ATOM 1861 O TYR A 122 16.659 -4.950 -3.084 1.00 74.12 O ATOM 1862 CB TYR A 122 13.800 -6.604 -2.597 1.00 62.01 C ATOM 1863 CG TYR A 122 13.418 -8.047 -2.838 1.00 65.03 C ATOM 1864 CD1 TYR A 122 12.903 -8.830 -1.813 1.00 32.21 C ATOM 1865 CD2 TYR A 122 13.574 -8.628 -4.091 1.00 2.51 C ATOM 1866 CE1 TYR A 122 12.553 -10.149 -2.028 1.00 63.32 C ATOM 1867 CE2 TYR A 122 13.226 -9.945 -4.316 1.00 30.33 C ATOM 1868 CZ TYR A 122 12.716 -10.702 -3.281 1.00 63.14 C ATOM 1869 OH TYR A 122 12.370 -12.016 -3.501 1.00 15.50 O ATOM 0 H TYR A 122 14.093 -6.729 -0.152 1.00 74.03 H new ATOM 0 HA TYR A 122 15.845 -7.200 -2.307 1.00 71.03 H new ATOM 0 HB2 TYR A 122 13.039 -6.135 -1.973 1.00 62.01 H new ATOM 0 HB3 TYR A 122 13.803 -6.074 -3.549 1.00 62.01 H new ATOM 0 HD1 TYR A 122 12.774 -8.400 -0.831 1.00 32.21 H new ATOM 0 HD2 TYR A 122 13.974 -8.039 -4.903 1.00 2.51 H new ATOM 0 HE1 TYR A 122 12.154 -10.744 -1.220 1.00 63.32 H new ATOM 0 HE2 TYR A 122 13.352 -10.380 -5.296 1.00 30.33 H new ATOM 0 HH TYR A 122 13.177 -12.573 -3.492 1.00 15.50 H new ATOM 1879 N GLN A 123 15.204 -4.028 -1.635 1.00 61.53 N ATOM 1880 CA GLN A 123 15.666 -2.665 -1.869 1.00 71.44 C ATOM 1881 C GLN A 123 16.698 -2.253 -0.825 1.00 33.23 C ATOM 1882 O GLN A 123 16.734 -1.100 -0.397 1.00 21.25 O ATOM 1883 CB GLN A 123 14.485 -1.694 -1.848 1.00 52.51 C ATOM 1884 CG GLN A 123 13.381 -2.056 -2.829 1.00 1.33 C ATOM 1885 CD GLN A 123 11.996 -1.902 -2.231 1.00 63.24 C ATOM 1886 OE1 GLN A 123 11.538 -0.788 -1.975 1.00 24.35 O ATOM 1887 NE2 GLN A 123 11.320 -3.023 -2.007 1.00 44.00 N ATOM 0 H GLN A 123 14.446 -4.106 -0.956 1.00 61.53 H new ATOM 0 HA GLN A 123 16.138 -2.631 -2.851 1.00 71.44 H new ATOM 0 HB2 GLN A 123 14.069 -1.663 -0.841 1.00 52.51 H new ATOM 0 HB3 GLN A 123 14.846 -0.691 -2.075 1.00 52.51 H new ATOM 0 HG2 GLN A 123 13.464 -1.423 -3.713 1.00 1.33 H new ATOM 0 HG3 GLN A 123 13.517 -3.086 -3.160 1.00 1.33 H new ATOM 0 HE21 GLN A 123 11.738 -3.925 -2.234 1.00 44.00 H new ATOM 0 HE22 GLN A 123 10.382 -2.982 -1.608 1.00 44.00 H new ATOM 1896 N GLU A 124 17.534 -3.204 -0.419 1.00 0.42 N ATOM 1897 CA GLU A 124 18.566 -2.938 0.577 1.00 35.11 C ATOM 1898 C GLU A 124 19.405 -1.727 0.181 1.00 23.11 C ATOM 1899 O GLU A 124 20.301 -1.828 -0.656 1.00 65.20 O ATOM 1900 CB GLU A 124 19.466 -4.163 0.749 1.00 4.15 C ATOM 1901 CG GLU A 124 19.567 -4.647 2.186 1.00 34.41 C ATOM 1902 CD GLU A 124 20.454 -5.868 2.330 1.00 64.25 C ATOM 1903 OE1 GLU A 124 21.142 -6.221 1.349 1.00 41.12 O ATOM 1904 OE2 GLU A 124 20.461 -6.471 3.424 1.00 44.35 O ATOM 0 H GLU A 124 17.517 -4.164 -0.764 1.00 0.42 H new ATOM 0 HA GLU A 124 18.074 -2.722 1.525 1.00 35.11 H new ATOM 0 HB2 GLU A 124 19.085 -4.973 0.127 1.00 4.15 H new ATOM 0 HB3 GLU A 124 20.465 -3.924 0.384 1.00 4.15 H new ATOM 0 HG2 GLU A 124 19.958 -3.843 2.809 1.00 34.41 H new ATOM 0 HG3 GLU A 124 18.569 -4.882 2.557 1.00 34.41 H new TER 1911 GLU A 124