USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 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 82 THR OG1 : rot 111:sc= -1.73 USER MOD Set 1.2: A 84 HIS : no HD1:sc= -1.43 K(o=-3.2,f=-0.32) USER MOD Set 2.1: A 35 ASN : amide:sc= -0.0889 K(o=-1.5,f=-14!) USER MOD Set 2.2: A 60 MET CE :methyl 163:sc= -1.46 (180deg=-1.33) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0112 (180deg=-0.276) USER MOD Single : A 2 GLN : amide:sc=-0.00865 K(o=-0.0087,f=-1.2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 179:sc= -0.59 USER MOD Single : A 30 CYS SG : rot 42:sc= -0.199 USER MOD Single : A 31 THR OG1 : rot 121:sc= 1.26 USER MOD Single : A 32 THR OG1 : rot -170:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.17) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.587 USER MOD Single : A 53 SER OG : rot 34:sc= 0.0728 USER MOD Single : A 57 MET CE :methyl -177:sc= 0 (180deg=-0.00435) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -6.93! C(o=-6.9!,f=-4.8!) USER MOD Single : A 70 LYS NZ :NH3+ 137:sc= -0.176 (180deg=-0.762) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-2) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 147:sc= -1.98 (180deg=-4.33!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -133:sc= -3.05! USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.35) USER MOD Single : A 101 TYR OH : rot 30:sc= -1.7! USER MOD Single : A 104 LYS NZ :NH3+ -172:sc= -0.0751 (180deg=-0.27) USER MOD Single : A 120 SER OG : rot 180:sc= -0.676 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 TYR OH : rot -85:sc= 0.269 USER MOD Single : A 123 GLN : amide:sc= -1.66 K(o=-1.7,f=-8.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 2.029 -1.366 -1.919 1.00 24.53 C ATOM 4 O MET A 1 2.130 -1.468 -3.141 1.00 21.20 O ATOM 5 CB MET A 1 3.550 0.380 -0.971 1.00 35.34 C ATOM 6 CG MET A 1 4.323 0.755 -2.224 1.00 5.22 C ATOM 7 SD MET A 1 5.274 2.275 -2.024 1.00 74.43 S ATOM 8 CE MET A 1 3.973 3.502 -2.124 1.00 44.51 C ATOM 0 H1 MET A 1 1.187 0.980 0.319 1.00 0.00 H new ATOM 0 H2 MET A 1 0.405 -0.450 -0.160 1.00 0.00 H new ATOM 0 H3 MET A 1 1.850 -0.529 0.728 1.00 0.00 H new ATOM 0 HA MET A 1 1.651 0.737 -1.911 1.00 52.33 H new ATOM 0 HB2 MET A 1 3.574 1.218 -0.275 1.00 35.34 H new ATOM 0 HB3 MET A 1 4.050 -0.456 -0.482 1.00 35.34 H new ATOM 0 HG2 MET A 1 4.998 -0.059 -2.487 1.00 5.22 H new ATOM 0 HG3 MET A 1 3.627 0.873 -3.054 1.00 5.22 H new ATOM 0 HE1 MET A 1 4.403 4.498 -2.017 1.00 44.51 H new ATOM 0 HE2 MET A 1 3.473 3.424 -3.089 1.00 44.51 H new ATOM 0 HE3 MET A 1 3.250 3.332 -1.326 1.00 44.51 H new ATOM 18 N GLN A 2 1.862 -2.412 -1.116 1.00 24.42 N ATOM 19 CA GLN A 2 1.787 -3.772 -1.638 1.00 51.53 C ATOM 20 C GLN A 2 3.051 -4.127 -2.414 1.00 73.51 C ATOM 21 O GLN A 2 2.986 -4.760 -3.468 1.00 41.35 O ATOM 22 CB GLN A 2 0.560 -3.927 -2.539 1.00 45.33 C ATOM 23 CG GLN A 2 -0.746 -3.554 -1.858 1.00 12.32 C ATOM 24 CD GLN A 2 -1.919 -3.528 -2.818 1.00 42.13 C ATOM 25 OE1 GLN A 2 -1.738 -3.464 -4.035 1.00 14.43 O ATOM 26 NE2 GLN A 2 -3.130 -3.578 -2.276 1.00 62.30 N ATOM 0 H GLN A 2 1.776 -2.344 -0.102 1.00 24.42 H new ATOM 0 HA GLN A 2 1.698 -4.455 -0.793 1.00 51.53 H new ATOM 0 HB2 GLN A 2 0.689 -3.305 -3.424 1.00 45.33 H new ATOM 0 HB3 GLN A 2 0.499 -4.960 -2.882 1.00 45.33 H new ATOM 0 HG2 GLN A 2 -0.951 -4.267 -1.059 1.00 12.32 H new ATOM 0 HG3 GLN A 2 -0.641 -2.574 -1.392 1.00 12.32 H new ATOM 0 HE21 GLN A 2 -3.233 -3.630 -1.263 1.00 62.30 H new ATOM 0 HE22 GLN A 2 -3.957 -3.564 -2.873 1.00 62.30 H new ATOM 35 N ARG A 3 4.199 -3.717 -1.885 1.00 71.14 N ATOM 36 CA ARG A 3 5.478 -3.991 -2.529 1.00 72.54 C ATOM 37 C ARG A 3 5.976 -5.390 -2.175 1.00 51.33 C ATOM 38 O ARG A 3 7.054 -5.802 -2.601 1.00 1.22 O ATOM 39 CB ARG A 3 6.516 -2.948 -2.114 1.00 25.02 C ATOM 40 CG ARG A 3 7.260 -3.304 -0.836 1.00 54.54 C ATOM 41 CD ARG A 3 6.304 -3.476 0.334 1.00 3.53 C ATOM 42 NE ARG A 3 5.627 -2.228 0.676 1.00 3.52 N ATOM 43 CZ ARG A 3 5.032 -2.010 1.843 1.00 34.55 C ATOM 44 NH1 ARG A 3 5.030 -2.953 2.776 1.00 71.00 N ATOM 45 NH2 ARG A 3 4.437 -0.848 2.080 1.00 34.31 N ATOM 0 H ARG A 3 4.270 -3.194 -1.012 1.00 71.14 H new ATOM 0 HA ARG A 3 5.332 -3.938 -3.608 1.00 72.54 H new ATOM 0 HB2 ARG A 3 7.237 -2.824 -2.922 1.00 25.02 H new ATOM 0 HB3 ARG A 3 6.020 -1.987 -1.980 1.00 25.02 H new ATOM 0 HG2 ARG A 3 7.823 -4.225 -0.986 1.00 54.54 H new ATOM 0 HG3 ARG A 3 7.983 -2.522 -0.605 1.00 54.54 H new ATOM 0 HD2 ARG A 3 5.562 -4.235 0.087 1.00 3.53 H new ATOM 0 HD3 ARG A 3 6.855 -3.839 1.202 1.00 3.53 H new ATOM 0 HE ARG A 3 5.610 -1.483 -0.020 1.00 3.52 H new ATOM 0 HH11 ARG A 3 5.486 -3.848 2.598 1.00 71.00 H new ATOM 0 HH12 ARG A 3 4.572 -2.783 3.672 1.00 71.00 H new ATOM 0 HH21 ARG A 3 4.436 -0.120 1.365 1.00 34.31 H new ATOM 0 HH22 ARG A 3 3.980 -0.682 2.977 1.00 34.31 H new ATOM 59 N GLY A 4 5.182 -6.115 -1.393 1.00 2.33 N ATOM 60 CA GLY A 4 5.560 -7.458 -0.994 1.00 73.11 C ATOM 61 C GLY A 4 4.374 -8.278 -0.526 1.00 23.44 C ATOM 62 O GLY A 4 3.880 -8.088 0.586 1.00 51.10 O ATOM 0 H GLY A 4 4.284 -5.796 -1.029 1.00 2.33 H new ATOM 0 HA2 GLY A 4 6.038 -7.962 -1.834 1.00 73.11 H new ATOM 0 HA3 GLY A 4 6.298 -7.402 -0.194 1.00 73.11 H new ATOM 66 N ILE A 5 3.916 -9.192 -1.375 1.00 4.02 N ATOM 67 CA ILE A 5 2.781 -10.043 -1.041 1.00 63.42 C ATOM 68 C ILE A 5 3.214 -11.223 -0.177 1.00 11.44 C ATOM 69 O ILE A 5 4.284 -11.796 -0.381 1.00 32.55 O ATOM 70 CB ILE A 5 2.087 -10.578 -2.308 1.00 12.52 C ATOM 71 CG1 ILE A 5 1.423 -9.431 -3.074 1.00 64.30 C ATOM 72 CG2 ILE A 5 1.062 -11.640 -1.942 1.00 34.35 C ATOM 73 CD1 ILE A 5 1.114 -9.768 -4.516 1.00 11.40 C ATOM 0 H ILE A 5 4.314 -9.362 -2.299 1.00 4.02 H new ATOM 0 HA ILE A 5 2.077 -9.425 -0.483 1.00 63.42 H new ATOM 0 HB ILE A 5 2.839 -11.034 -2.952 1.00 12.52 H new ATOM 0 HG12 ILE A 5 0.498 -9.154 -2.568 1.00 64.30 H new ATOM 0 HG13 ILE A 5 2.076 -8.559 -3.045 1.00 64.30 H new ATOM 0 HG21 ILE A 5 0.580 -12.008 -2.848 1.00 34.35 H new ATOM 0 HG22 ILE A 5 1.560 -12.466 -1.434 1.00 34.35 H new ATOM 0 HG23 ILE A 5 0.310 -11.208 -1.281 1.00 34.35 H new ATOM 0 HD11 ILE A 5 0.645 -8.910 -4.998 1.00 11.40 H new ATOM 0 HD12 ILE A 5 2.038 -10.017 -5.038 1.00 11.40 H new ATOM 0 HD13 ILE A 5 0.436 -10.621 -4.553 1.00 11.40 H new ATOM 85 N VAL A 6 2.374 -11.581 0.789 1.00 11.35 N ATOM 86 CA VAL A 6 2.667 -12.694 1.684 1.00 5.00 C ATOM 87 C VAL A 6 1.548 -13.729 1.659 1.00 2.34 C ATOM 88 O VAL A 6 0.381 -13.401 1.874 1.00 3.25 O ATOM 89 CB VAL A 6 2.873 -12.211 3.132 1.00 25.11 C ATOM 90 CG1 VAL A 6 3.500 -13.310 3.977 1.00 0.54 C ATOM 91 CG2 VAL A 6 3.729 -10.954 3.157 1.00 4.23 C ATOM 0 H VAL A 6 1.485 -11.116 0.972 1.00 11.35 H new ATOM 0 HA VAL A 6 3.589 -13.152 1.327 1.00 5.00 H new ATOM 0 HB VAL A 6 1.900 -11.969 3.558 1.00 25.11 H new ATOM 0 HG11 VAL A 6 3.638 -12.951 4.997 1.00 0.54 H new ATOM 0 HG12 VAL A 6 2.845 -14.181 3.985 1.00 0.54 H new ATOM 0 HG13 VAL A 6 4.467 -13.586 3.556 1.00 0.54 H new ATOM 0 HG21 VAL A 6 3.864 -10.626 4.188 1.00 4.23 H new ATOM 0 HG22 VAL A 6 4.701 -11.167 2.713 1.00 4.23 H new ATOM 0 HG23 VAL A 6 3.235 -10.166 2.588 1.00 4.23 H new ATOM 101 N TRP A 7 1.912 -14.979 1.396 1.00 14.44 N ATOM 102 CA TRP A 7 0.937 -16.063 1.344 1.00 3.21 C ATOM 103 C TRP A 7 1.102 -17.001 2.535 1.00 44.14 C ATOM 104 O TRP A 7 2.123 -16.974 3.222 1.00 2.41 O ATOM 105 CB TRP A 7 1.084 -16.845 0.038 1.00 20.31 C ATOM 106 CG TRP A 7 0.708 -16.051 -1.176 1.00 11.11 C ATOM 107 CD1 TRP A 7 0.166 -14.798 -1.200 1.00 14.34 C ATOM 108 CD2 TRP A 7 0.844 -16.457 -2.542 1.00 24.10 C ATOM 109 NE1 TRP A 7 -0.043 -14.400 -2.498 1.00 73.43 N ATOM 110 CE2 TRP A 7 0.366 -15.400 -3.341 1.00 33.03 C ATOM 111 CE3 TRP A 7 1.326 -17.610 -3.168 1.00 42.43 C ATOM 112 CZ2 TRP A 7 0.355 -15.464 -4.731 1.00 73.35 C ATOM 113 CZ3 TRP A 7 1.314 -17.672 -4.549 1.00 3.13 C ATOM 114 CH2 TRP A 7 0.832 -16.605 -5.318 1.00 42.32 C ATOM 0 H TRP A 7 2.874 -15.267 1.216 1.00 14.44 H new ATOM 0 HA TRP A 7 -0.060 -15.625 1.387 1.00 3.21 H new ATOM 0 HB2 TRP A 7 2.116 -17.181 -0.062 1.00 20.31 H new ATOM 0 HB3 TRP A 7 0.461 -17.738 0.086 1.00 20.31 H new ATOM 0 HD1 TRP A 7 -0.065 -14.206 -0.326 1.00 14.34 H new ATOM 0 HE1 TRP A 7 -0.438 -13.505 -2.787 1.00 73.43 H new ATOM 0 HE3 TRP A 7 1.701 -18.437 -2.584 1.00 42.43 H new ATOM 0 HZ2 TRP A 7 -0.017 -14.643 -5.326 1.00 73.35 H new ATOM 0 HZ3 TRP A 7 1.683 -18.559 -5.044 1.00 3.13 H new ATOM 0 HH2 TRP A 7 0.837 -16.684 -6.395 1.00 42.32 H new ATOM 125 N VAL A 8 0.092 -17.831 2.773 1.00 31.01 N ATOM 126 CA VAL A 8 0.126 -18.779 3.880 1.00 3.14 C ATOM 127 C VAL A 8 -0.400 -20.144 3.452 1.00 62.13 C ATOM 128 O VAL A 8 -1.287 -20.241 2.604 1.00 35.23 O ATOM 129 CB VAL A 8 -0.702 -18.274 5.077 1.00 22.41 C ATOM 130 CG1 VAL A 8 -0.480 -19.162 6.292 1.00 34.31 C ATOM 131 CG2 VAL A 8 -0.354 -16.828 5.393 1.00 2.32 C ATOM 0 H VAL A 8 -0.760 -17.866 2.214 1.00 31.01 H new ATOM 0 HA VAL A 8 1.169 -18.874 4.183 1.00 3.14 H new ATOM 0 HB VAL A 8 -1.758 -18.320 4.811 1.00 22.41 H new ATOM 0 HG11 VAL A 8 -1.073 -18.790 7.128 1.00 34.31 H new ATOM 0 HG12 VAL A 8 -0.784 -20.182 6.057 1.00 34.31 H new ATOM 0 HG13 VAL A 8 0.576 -19.151 6.563 1.00 34.31 H new ATOM 0 HG21 VAL A 8 -0.948 -16.488 6.241 1.00 2.32 H new ATOM 0 HG22 VAL A 8 0.705 -16.754 5.639 1.00 2.32 H new ATOM 0 HG23 VAL A 8 -0.569 -16.204 4.526 1.00 2.32 H new ATOM 141 N VAL A 9 0.154 -21.198 4.043 1.00 14.04 N ATOM 142 CA VAL A 9 -0.261 -22.559 3.724 1.00 2.03 C ATOM 143 C VAL A 9 -0.320 -23.424 4.978 1.00 10.35 C ATOM 144 O VAL A 9 0.544 -24.272 5.201 1.00 33.23 O ATOM 145 CB VAL A 9 0.694 -23.213 2.708 1.00 42.30 C ATOM 146 CG1 VAL A 9 2.117 -23.230 3.246 1.00 33.34 C ATOM 147 CG2 VAL A 9 0.227 -24.620 2.367 1.00 11.41 C ATOM 0 H VAL A 9 0.891 -21.135 4.745 1.00 14.04 H new ATOM 0 HA VAL A 9 -1.257 -22.492 3.285 1.00 2.03 H new ATOM 0 HB VAL A 9 0.684 -22.620 1.793 1.00 42.30 H new ATOM 0 HG11 VAL A 9 2.777 -23.696 2.514 1.00 33.34 H new ATOM 0 HG12 VAL A 9 2.447 -22.208 3.434 1.00 33.34 H new ATOM 0 HG13 VAL A 9 2.148 -23.798 4.176 1.00 33.34 H new ATOM 0 HG21 VAL A 9 0.913 -25.067 1.648 1.00 11.41 H new ATOM 0 HG22 VAL A 9 0.205 -25.226 3.273 1.00 11.41 H new ATOM 0 HG23 VAL A 9 -0.773 -24.577 1.935 1.00 11.41 H new ATOM 157 N ASP A 10 -1.345 -23.203 5.794 1.00 22.05 N ATOM 158 CA ASP A 10 -1.518 -23.963 7.027 1.00 75.43 C ATOM 159 C ASP A 10 -2.782 -24.816 6.966 1.00 53.51 C ATOM 160 O ASP A 10 -3.615 -24.646 6.075 1.00 61.11 O ATOM 161 CB ASP A 10 -1.582 -23.020 8.229 1.00 50.23 C ATOM 162 CG ASP A 10 -2.639 -21.945 8.066 1.00 31.41 C ATOM 163 OD1 ASP A 10 -3.817 -22.300 7.853 1.00 71.11 O ATOM 164 OD2 ASP A 10 -2.288 -20.750 8.151 1.00 13.41 O ATOM 0 H ASP A 10 -2.068 -22.504 5.624 1.00 22.05 H new ATOM 0 HA ASP A 10 -0.659 -24.624 7.140 1.00 75.43 H new ATOM 0 HB2 ASP A 10 -1.791 -23.598 9.129 1.00 50.23 H new ATOM 0 HB3 ASP A 10 -0.609 -22.550 8.371 1.00 50.23 H new ATOM 169 N ASP A 11 -2.918 -25.732 7.918 1.00 51.11 N ATOM 170 CA ASP A 11 -4.080 -26.611 7.973 1.00 73.01 C ATOM 171 C ASP A 11 -4.985 -26.243 9.145 1.00 70.12 C ATOM 172 O ASP A 11 -5.761 -27.069 9.626 1.00 52.12 O ATOM 173 CB ASP A 11 -3.638 -28.070 8.093 1.00 64.13 C ATOM 174 CG ASP A 11 -4.440 -28.994 7.198 1.00 35.02 C ATOM 175 OD1 ASP A 11 -5.482 -29.508 7.658 1.00 61.23 O ATOM 176 OD2 ASP A 11 -4.028 -29.202 6.038 1.00 21.33 O ATOM 0 H ASP A 11 -2.238 -25.885 8.662 1.00 51.11 H new ATOM 0 HA ASP A 11 -4.643 -26.485 7.048 1.00 73.01 H new ATOM 0 HB2 ASP A 11 -2.581 -28.149 7.837 1.00 64.13 H new ATOM 0 HB3 ASP A 11 -3.740 -28.393 9.129 1.00 64.13 H new ATOM 181 N ASP A 12 -4.879 -25.000 9.600 1.00 44.41 N ATOM 182 CA ASP A 12 -5.687 -24.522 10.716 1.00 40.03 C ATOM 183 C ASP A 12 -6.207 -23.114 10.446 1.00 55.41 C ATOM 184 O ASP A 12 -5.574 -22.332 9.736 1.00 31.42 O ATOM 185 CB ASP A 12 -4.870 -24.538 12.009 1.00 72.33 C ATOM 186 CG ASP A 12 -5.187 -25.739 12.879 1.00 54.33 C ATOM 187 OD1 ASP A 12 -4.818 -26.867 12.491 1.00 61.10 O ATOM 188 OD2 ASP A 12 -5.804 -25.550 13.948 1.00 52.23 O ATOM 0 H ASP A 12 -4.241 -24.304 9.213 1.00 44.41 H new ATOM 0 HA ASP A 12 -6.541 -25.190 10.827 1.00 40.03 H new ATOM 0 HB2 ASP A 12 -3.808 -24.540 11.764 1.00 72.33 H new ATOM 0 HB3 ASP A 12 -5.066 -23.624 12.570 1.00 72.33 H new ATOM 193 N SER A 13 -7.366 -22.797 11.016 1.00 4.12 N ATOM 194 CA SER A 13 -7.974 -21.484 10.833 1.00 21.34 C ATOM 195 C SER A 13 -7.245 -20.428 11.658 1.00 0.03 C ATOM 196 O SER A 13 -6.801 -19.409 11.129 1.00 23.14 O ATOM 197 CB SER A 13 -9.452 -21.525 11.227 1.00 41.53 C ATOM 198 OG SER A 13 -9.786 -20.433 12.067 1.00 61.32 O ATOM 0 H SER A 13 -7.902 -23.431 11.608 1.00 4.12 H new ATOM 0 HA SER A 13 -7.893 -21.216 9.780 1.00 21.34 H new ATOM 0 HB2 SER A 13 -10.071 -21.501 10.330 1.00 41.53 H new ATOM 0 HB3 SER A 13 -9.669 -22.462 11.740 1.00 41.53 H new ATOM 0 HG SER A 13 -10.736 -20.481 12.303 1.00 61.32 H new ATOM 204 N SER A 14 -7.126 -20.679 12.958 1.00 33.41 N ATOM 205 CA SER A 14 -6.455 -19.749 13.858 1.00 21.24 C ATOM 206 C SER A 14 -5.006 -19.532 13.433 1.00 1.12 C ATOM 207 O SER A 14 -4.382 -18.537 13.803 1.00 2.12 O ATOM 208 CB SER A 14 -6.504 -20.272 15.295 1.00 22.13 C ATOM 209 OG SER A 14 -5.863 -21.532 15.402 1.00 54.24 O ATOM 0 H SER A 14 -7.486 -21.519 13.411 1.00 33.41 H new ATOM 0 HA SER A 14 -6.977 -18.793 13.809 1.00 21.24 H new ATOM 0 HB2 SER A 14 -6.022 -19.557 15.962 1.00 22.13 H new ATOM 0 HB3 SER A 14 -7.541 -20.360 15.618 1.00 22.13 H new ATOM 0 HG SER A 14 -5.907 -21.843 16.330 1.00 54.24 H new ATOM 215 N ILE A 15 -4.478 -20.470 12.654 1.00 4.32 N ATOM 216 CA ILE A 15 -3.103 -20.381 12.177 1.00 10.15 C ATOM 217 C ILE A 15 -2.992 -19.426 10.994 1.00 73.03 C ATOM 218 O ILE A 15 -2.021 -18.678 10.875 1.00 34.31 O ATOM 219 CB ILE A 15 -2.561 -21.761 11.762 1.00 72.34 C ATOM 220 CG1 ILE A 15 -2.475 -22.687 12.977 1.00 41.21 C ATOM 221 CG2 ILE A 15 -1.199 -21.618 11.100 1.00 24.12 C ATOM 222 CD1 ILE A 15 -1.550 -22.177 14.060 1.00 31.20 C ATOM 0 H ILE A 15 -4.981 -21.300 12.340 1.00 4.32 H new ATOM 0 HA ILE A 15 -2.506 -20.000 13.005 1.00 10.15 H new ATOM 0 HB ILE A 15 -3.249 -22.203 11.041 1.00 72.34 H new ATOM 0 HG12 ILE A 15 -3.473 -22.819 13.395 1.00 41.21 H new ATOM 0 HG13 ILE A 15 -2.134 -23.670 12.652 1.00 41.21 H new ATOM 0 HG21 ILE A 15 -0.829 -22.602 10.812 1.00 24.12 H new ATOM 0 HG22 ILE A 15 -1.290 -20.991 10.213 1.00 24.12 H new ATOM 0 HG23 ILE A 15 -0.501 -21.158 11.800 1.00 24.12 H new ATOM 0 HD11 ILE A 15 -1.538 -22.883 14.890 1.00 31.20 H new ATOM 0 HD12 ILE A 15 -0.542 -22.072 13.658 1.00 31.20 H new ATOM 0 HD13 ILE A 15 -1.903 -21.208 14.413 1.00 31.20 H new ATOM 234 N ARG A 16 -3.994 -19.456 10.121 1.00 51.40 N ATOM 235 CA ARG A 16 -4.010 -18.592 8.946 1.00 23.23 C ATOM 236 C ARG A 16 -4.533 -17.203 9.300 1.00 43.13 C ATOM 237 O ARG A 16 -4.055 -16.197 8.775 1.00 24.21 O ATOM 238 CB ARG A 16 -4.874 -19.209 7.845 1.00 22.10 C ATOM 239 CG ARG A 16 -6.297 -19.510 8.285 1.00 74.05 C ATOM 240 CD ARG A 16 -7.136 -20.042 7.132 1.00 5.34 C ATOM 241 NE ARG A 16 -8.566 -19.882 7.377 1.00 34.23 N ATOM 242 CZ ARG A 16 -9.212 -18.729 7.239 1.00 62.53 C ATOM 243 NH1 ARG A 16 -8.557 -17.641 6.859 1.00 71.05 N ATOM 244 NH2 ARG A 16 -10.515 -18.664 7.480 1.00 21.11 N ATOM 0 H ARG A 16 -4.805 -20.069 10.205 1.00 51.40 H new ATOM 0 HA ARG A 16 -2.987 -18.494 8.583 1.00 23.23 H new ATOM 0 HB2 ARG A 16 -4.902 -18.530 6.993 1.00 22.10 H new ATOM 0 HB3 ARG A 16 -4.406 -20.132 7.502 1.00 22.10 H new ATOM 0 HG2 ARG A 16 -6.282 -20.241 9.093 1.00 74.05 H new ATOM 0 HG3 ARG A 16 -6.755 -18.605 8.683 1.00 74.05 H new ATOM 0 HD2 ARG A 16 -6.865 -19.519 6.215 1.00 5.34 H new ATOM 0 HD3 ARG A 16 -6.911 -21.097 6.976 1.00 5.34 H new ATOM 0 HE ARG A 16 -9.099 -20.701 7.670 1.00 34.23 H new ATOM 0 HH11 ARG A 16 -7.555 -17.688 6.672 1.00 71.05 H new ATOM 0 HH12 ARG A 16 -9.055 -16.757 6.754 1.00 71.05 H new ATOM 0 HH21 ARG A 16 -11.022 -19.500 7.772 1.00 21.11 H new ATOM 0 HH22 ARG A 16 -11.010 -17.778 7.374 1.00 21.11 H new ATOM 258 N TRP A 17 -5.516 -17.156 10.191 1.00 71.01 N ATOM 259 CA TRP A 17 -6.104 -15.890 10.614 1.00 74.12 C ATOM 260 C TRP A 17 -5.024 -14.905 11.046 1.00 23.33 C ATOM 261 O TRP A 17 -4.931 -13.798 10.517 1.00 53.25 O ATOM 262 CB TRP A 17 -7.091 -16.120 11.760 1.00 25.11 C ATOM 263 CG TRP A 17 -7.431 -14.868 12.511 1.00 71.32 C ATOM 264 CD1 TRP A 17 -8.310 -13.896 12.127 1.00 42.11 C ATOM 265 CD2 TRP A 17 -6.897 -14.454 13.773 1.00 34.11 C ATOM 266 NE1 TRP A 17 -8.354 -12.902 13.075 1.00 54.13 N ATOM 267 CE2 TRP A 17 -7.498 -13.221 14.095 1.00 62.02 C ATOM 268 CE3 TRP A 17 -5.972 -15.005 14.664 1.00 75.42 C ATOM 269 CZ2 TRP A 17 -7.201 -12.533 15.268 1.00 41.50 C ATOM 270 CZ3 TRP A 17 -5.679 -14.321 15.828 1.00 43.34 C ATOM 271 CH2 TRP A 17 -6.292 -13.095 16.122 1.00 63.52 C ATOM 0 H TRP A 17 -5.923 -17.979 10.635 1.00 71.01 H new ATOM 0 HA TRP A 17 -6.638 -15.464 9.764 1.00 74.12 H new ATOM 0 HB2 TRP A 17 -8.007 -16.555 11.360 1.00 25.11 H new ATOM 0 HB3 TRP A 17 -6.669 -16.848 12.453 1.00 25.11 H new ATOM 0 HD1 TRP A 17 -8.886 -13.907 11.213 1.00 42.11 H new ATOM 0 HE1 TRP A 17 -8.931 -12.062 13.027 1.00 54.13 H new ATOM 0 HE3 TRP A 17 -5.495 -15.949 14.446 1.00 75.42 H new ATOM 0 HZ2 TRP A 17 -7.672 -11.588 15.496 1.00 41.50 H new ATOM 0 HZ3 TRP A 17 -4.966 -14.738 16.523 1.00 43.34 H new ATOM 0 HH2 TRP A 17 -6.042 -12.584 17.040 1.00 63.52 H new ATOM 282 N VAL A 18 -4.207 -15.315 12.012 1.00 74.31 N ATOM 283 CA VAL A 18 -3.132 -14.469 12.514 1.00 2.04 C ATOM 284 C VAL A 18 -2.316 -13.879 11.370 1.00 53.15 C ATOM 285 O VAL A 18 -2.079 -12.671 11.320 1.00 65.32 O ATOM 286 CB VAL A 18 -2.191 -15.252 13.450 1.00 74.35 C ATOM 287 CG1 VAL A 18 -2.804 -15.383 14.836 1.00 70.44 C ATOM 288 CG2 VAL A 18 -1.878 -16.621 12.865 1.00 71.25 C ATOM 0 H VAL A 18 -4.270 -16.228 12.462 1.00 74.31 H new ATOM 0 HA VAL A 18 -3.602 -13.662 13.075 1.00 2.04 H new ATOM 0 HB VAL A 18 -1.256 -14.699 13.543 1.00 74.35 H new ATOM 0 HG11 VAL A 18 -2.125 -15.939 15.483 1.00 70.44 H new ATOM 0 HG12 VAL A 18 -2.973 -14.391 15.254 1.00 70.44 H new ATOM 0 HG13 VAL A 18 -3.754 -15.914 14.765 1.00 70.44 H new ATOM 0 HG21 VAL A 18 -1.212 -17.161 13.538 1.00 71.25 H new ATOM 0 HG22 VAL A 18 -2.803 -17.184 12.741 1.00 71.25 H new ATOM 0 HG23 VAL A 18 -1.394 -16.501 11.896 1.00 71.25 H new ATOM 298 N LEU A 19 -1.890 -14.738 10.450 1.00 12.21 N ATOM 299 CA LEU A 19 -1.101 -14.302 9.303 1.00 2.03 C ATOM 300 C LEU A 19 -1.945 -13.465 8.348 1.00 42.51 C ATOM 301 O LEU A 19 -1.415 -12.679 7.563 1.00 2.43 O ATOM 302 CB LEU A 19 -0.525 -15.512 8.566 1.00 22.21 C ATOM 303 CG LEU A 19 0.744 -16.121 9.164 1.00 33.34 C ATOM 304 CD1 LEU A 19 0.987 -17.511 8.598 1.00 71.53 C ATOM 305 CD2 LEU A 19 1.942 -15.220 8.904 1.00 30.23 C ATOM 0 H LEU A 19 -2.078 -15.740 10.476 1.00 12.21 H new ATOM 0 HA LEU A 19 -0.282 -13.684 9.671 1.00 2.03 H new ATOM 0 HB2 LEU A 19 -1.291 -16.286 8.526 1.00 22.21 H new ATOM 0 HB3 LEU A 19 -0.314 -15.219 7.538 1.00 22.21 H new ATOM 0 HG LEU A 19 0.608 -16.209 10.242 1.00 33.34 H new ATOM 0 HD11 LEU A 19 1.894 -17.928 9.035 1.00 71.53 H new ATOM 0 HD12 LEU A 19 0.140 -18.154 8.837 1.00 71.53 H new ATOM 0 HD13 LEU A 19 1.101 -17.448 7.516 1.00 71.53 H new ATOM 0 HD21 LEU A 19 2.836 -15.669 9.337 1.00 30.23 H new ATOM 0 HD22 LEU A 19 2.080 -15.099 7.830 1.00 30.23 H new ATOM 0 HD23 LEU A 19 1.769 -14.245 9.359 1.00 30.23 H new ATOM 317 N GLU A 20 -3.261 -13.638 8.422 1.00 2.40 N ATOM 318 CA GLU A 20 -4.178 -12.896 7.564 1.00 24.21 C ATOM 319 C GLU A 20 -4.430 -11.497 8.119 1.00 74.14 C ATOM 320 O GLU A 20 -4.078 -10.497 7.493 1.00 32.01 O ATOM 321 CB GLU A 20 -5.503 -13.649 7.425 1.00 4.32 C ATOM 322 CG GLU A 20 -5.990 -13.764 5.991 1.00 43.04 C ATOM 323 CD GLU A 20 -6.777 -12.548 5.542 1.00 30.13 C ATOM 324 OE1 GLU A 20 -6.557 -11.456 6.107 1.00 24.50 O ATOM 325 OE2 GLU A 20 -7.614 -12.689 4.626 1.00 41.20 O ATOM 0 H GLU A 20 -3.716 -14.285 9.066 1.00 2.40 H new ATOM 0 HA GLU A 20 -3.718 -12.800 6.580 1.00 24.21 H new ATOM 0 HB2 GLU A 20 -5.388 -14.649 7.842 1.00 4.32 H new ATOM 0 HB3 GLU A 20 -6.264 -13.142 8.019 1.00 4.32 H new ATOM 0 HG2 GLU A 20 -5.134 -13.902 5.331 1.00 43.04 H new ATOM 0 HG3 GLU A 20 -6.614 -14.652 5.894 1.00 43.04 H new ATOM 332 N ARG A 21 -5.044 -11.436 9.296 1.00 4.31 N ATOM 333 CA ARG A 21 -5.346 -10.160 9.935 1.00 64.24 C ATOM 334 C ARG A 21 -4.110 -9.266 9.975 1.00 63.24 C ATOM 335 O ARG A 21 -4.215 -8.042 9.905 1.00 65.11 O ATOM 336 CB ARG A 21 -5.870 -10.388 11.354 1.00 50.54 C ATOM 337 CG ARG A 21 -4.945 -11.230 12.217 1.00 75.21 C ATOM 338 CD ARG A 21 -4.675 -10.565 13.557 1.00 32.14 C ATOM 339 NE ARG A 21 -3.590 -9.592 13.476 1.00 4.44 N ATOM 340 CZ ARG A 21 -3.356 -8.672 14.406 1.00 30.23 C ATOM 341 NH1 ARG A 21 -4.128 -8.602 15.482 1.00 3.31 N ATOM 342 NH2 ARG A 21 -2.348 -7.821 14.261 1.00 34.02 N ATOM 0 H ARG A 21 -5.342 -12.255 9.827 1.00 4.31 H new ATOM 0 HA ARG A 21 -6.116 -9.660 9.347 1.00 64.24 H new ATOM 0 HB2 ARG A 21 -6.023 -9.422 11.835 1.00 50.54 H new ATOM 0 HB3 ARG A 21 -6.844 -10.874 11.299 1.00 50.54 H new ATOM 0 HG2 ARG A 21 -5.391 -12.211 12.380 1.00 75.21 H new ATOM 0 HG3 ARG A 21 -4.003 -11.391 11.693 1.00 75.21 H new ATOM 0 HD2 ARG A 21 -5.581 -10.069 13.905 1.00 32.14 H new ATOM 0 HD3 ARG A 21 -4.425 -11.326 14.296 1.00 32.14 H new ATOM 0 HE ARG A 21 -2.978 -9.620 12.661 1.00 4.44 H new ATOM 0 HH11 ARG A 21 -4.903 -9.255 15.597 1.00 3.31 H new ATOM 0 HH12 ARG A 21 -3.947 -7.895 16.195 1.00 3.31 H new ATOM 0 HH21 ARG A 21 -1.752 -7.873 13.435 1.00 34.02 H new ATOM 0 HH22 ARG A 21 -2.170 -7.115 14.976 1.00 34.02 H new ATOM 356 N ALA A 22 -2.940 -9.887 10.088 1.00 31.00 N ATOM 357 CA ALA A 22 -1.685 -9.148 10.136 1.00 64.11 C ATOM 358 C ALA A 22 -1.512 -8.277 8.896 1.00 74.30 C ATOM 359 O ALA A 22 -1.162 -7.101 8.995 1.00 45.31 O ATOM 360 CB ALA A 22 -0.512 -10.108 10.276 1.00 14.01 C ATOM 0 H ALA A 22 -2.836 -10.900 10.148 1.00 31.00 H new ATOM 0 HA ALA A 22 -1.711 -8.493 11.007 1.00 64.11 H new ATOM 0 HB1 ALA A 22 0.419 -9.542 10.311 1.00 14.01 H new ATOM 0 HB2 ALA A 22 -0.621 -10.684 11.195 1.00 14.01 H new ATOM 0 HB3 ALA A 22 -0.493 -10.786 9.423 1.00 14.01 H new ATOM 366 N LEU A 23 -1.760 -8.862 7.729 1.00 14.02 N ATOM 367 CA LEU A 23 -1.632 -8.139 6.469 1.00 71.14 C ATOM 368 C LEU A 23 -2.905 -7.359 6.156 1.00 73.51 C ATOM 369 O LEU A 23 -2.854 -6.272 5.583 1.00 1.53 O ATOM 370 CB LEU A 23 -1.323 -9.112 5.329 1.00 14.12 C ATOM 371 CG LEU A 23 -0.252 -10.164 5.617 1.00 63.02 C ATOM 372 CD1 LEU A 23 -0.308 -11.279 4.585 1.00 71.44 C ATOM 373 CD2 LEU A 23 1.130 -9.526 5.640 1.00 15.22 C ATOM 0 H LEU A 23 -2.051 -9.835 7.630 1.00 14.02 H new ATOM 0 HA LEU A 23 -0.809 -7.431 6.567 1.00 71.14 H new ATOM 0 HB2 LEU A 23 -2.245 -9.626 5.057 1.00 14.12 H new ATOM 0 HB3 LEU A 23 -1.011 -8.534 4.459 1.00 14.12 H new ATOM 0 HG LEU A 23 -0.448 -10.595 6.599 1.00 63.02 H new ATOM 0 HD11 LEU A 23 0.462 -12.019 4.806 1.00 71.44 H new ATOM 0 HD12 LEU A 23 -1.288 -11.755 4.616 1.00 71.44 H new ATOM 0 HD13 LEU A 23 -0.138 -10.864 3.592 1.00 71.44 H new ATOM 0 HD21 LEU A 23 1.880 -10.290 5.846 1.00 15.22 H new ATOM 0 HD22 LEU A 23 1.335 -9.068 4.673 1.00 15.22 H new ATOM 0 HD23 LEU A 23 1.166 -8.763 6.418 1.00 15.22 H new ATOM 385 N ALA A 24 -4.047 -7.923 6.538 1.00 42.20 N ATOM 386 CA ALA A 24 -5.333 -7.279 6.302 1.00 0.33 C ATOM 387 C ALA A 24 -5.318 -5.831 6.782 1.00 71.22 C ATOM 388 O ALA A 24 -5.968 -4.966 6.196 1.00 65.22 O ATOM 389 CB ALA A 24 -6.446 -8.054 6.992 1.00 3.23 C ATOM 0 H ALA A 24 -4.107 -8.824 7.012 1.00 42.20 H new ATOM 0 HA ALA A 24 -5.519 -7.277 5.228 1.00 0.33 H new ATOM 0 HB1 ALA A 24 -7.401 -7.562 6.807 1.00 3.23 H new ATOM 0 HB2 ALA A 24 -6.480 -9.070 6.599 1.00 3.23 H new ATOM 0 HB3 ALA A 24 -6.256 -8.086 8.065 1.00 3.23 H new ATOM 395 N GLY A 25 -4.573 -5.575 7.853 1.00 45.35 N ATOM 396 CA GLY A 25 -4.488 -4.231 8.393 1.00 51.40 C ATOM 397 C GLY A 25 -3.414 -3.401 7.718 1.00 3.15 C ATOM 398 O GLY A 25 -3.471 -2.172 7.730 1.00 41.34 O ATOM 0 H GLY A 25 -4.027 -6.274 8.356 1.00 45.35 H new ATOM 0 HA2 GLY A 25 -5.452 -3.735 8.278 1.00 51.40 H new ATOM 0 HA3 GLY A 25 -4.283 -4.285 9.462 1.00 51.40 H new ATOM 402 N ALA A 26 -2.430 -4.074 7.131 1.00 71.22 N ATOM 403 CA ALA A 26 -1.338 -3.391 6.448 1.00 32.22 C ATOM 404 C ALA A 26 -1.628 -3.244 4.958 1.00 35.34 C ATOM 405 O ALA A 26 -2.750 -3.477 4.509 1.00 64.14 O ATOM 406 CB ALA A 26 -0.031 -4.140 6.662 1.00 73.50 C ATOM 0 H ALA A 26 -2.367 -5.092 7.115 1.00 71.22 H new ATOM 0 HA ALA A 26 -1.245 -2.392 6.873 1.00 32.22 H new ATOM 0 HB1 ALA A 26 0.776 -3.619 6.146 1.00 73.50 H new ATOM 0 HB2 ALA A 26 0.191 -4.188 7.728 1.00 73.50 H new ATOM 0 HB3 ALA A 26 -0.122 -5.151 6.265 1.00 73.50 H new ATOM 412 N GLY A 27 -0.610 -2.856 4.197 1.00 10.40 N ATOM 413 CA GLY A 27 -0.777 -2.684 2.766 1.00 52.42 C ATOM 414 C GLY A 27 -0.168 -3.821 1.970 1.00 3.31 C ATOM 415 O GLY A 27 0.522 -3.593 0.975 1.00 0.43 O ATOM 0 H GLY A 27 0.328 -2.658 4.546 1.00 10.40 H new ATOM 0 HA2 GLY A 27 -1.839 -2.610 2.534 1.00 52.42 H new ATOM 0 HA3 GLY A 27 -0.318 -1.744 2.460 1.00 52.42 H new ATOM 419 N LEU A 28 -0.420 -5.049 2.408 1.00 32.13 N ATOM 420 CA LEU A 28 0.110 -6.227 1.731 1.00 61.22 C ATOM 421 C LEU A 28 -0.979 -7.276 1.530 1.00 21.21 C ATOM 422 O LEU A 28 -1.781 -7.534 2.428 1.00 33.31 O ATOM 423 CB LEU A 28 1.267 -6.824 2.534 1.00 42.12 C ATOM 424 CG LEU A 28 1.742 -6.007 3.736 1.00 14.21 C ATOM 425 CD1 LEU A 28 2.632 -6.849 4.636 1.00 33.34 C ATOM 426 CD2 LEU A 28 2.477 -4.757 3.275 1.00 52.12 C ATOM 0 H LEU A 28 -0.988 -5.255 3.229 1.00 32.13 H new ATOM 0 HA LEU A 28 0.477 -5.918 0.752 1.00 61.22 H new ATOM 0 HB2 LEU A 28 0.967 -7.811 2.887 1.00 42.12 H new ATOM 0 HB3 LEU A 28 2.113 -6.969 1.862 1.00 42.12 H new ATOM 0 HG LEU A 28 0.868 -5.699 4.310 1.00 14.21 H new ATOM 0 HD11 LEU A 28 2.960 -6.251 5.486 1.00 33.34 H new ATOM 0 HD12 LEU A 28 2.073 -7.713 4.995 1.00 33.34 H new ATOM 0 HD13 LEU A 28 3.502 -7.188 4.073 1.00 33.34 H new ATOM 0 HD21 LEU A 28 2.808 -4.188 4.144 1.00 52.12 H new ATOM 0 HD22 LEU A 28 3.343 -5.043 2.678 1.00 52.12 H new ATOM 0 HD23 LEU A 28 1.808 -4.143 2.672 1.00 52.12 H new ATOM 438 N THR A 29 -1.000 -7.881 0.346 1.00 13.22 N ATOM 439 CA THR A 29 -1.989 -8.903 0.028 1.00 54.44 C ATOM 440 C THR A 29 -1.903 -10.073 1.000 1.00 34.31 C ATOM 441 O THR A 29 -0.857 -10.317 1.602 1.00 42.01 O ATOM 442 CB THR A 29 -1.811 -9.429 -1.409 1.00 24.01 C ATOM 443 OG1 THR A 29 -1.622 -8.334 -2.312 1.00 40.01 O ATOM 444 CG2 THR A 29 -3.019 -10.246 -1.840 1.00 60.31 C ATOM 0 H THR A 29 -0.343 -7.681 -0.408 1.00 13.22 H new ATOM 0 HA THR A 29 -2.969 -8.433 0.116 1.00 54.44 H new ATOM 0 HB THR A 29 -0.931 -10.072 -1.430 1.00 24.01 H new ATOM 0 HG1 THR A 29 -1.492 -8.678 -3.220 1.00 40.01 H new ATOM 0 HG21 THR A 29 -2.870 -10.607 -2.858 1.00 60.31 H new ATOM 0 HG22 THR A 29 -3.142 -11.096 -1.168 1.00 60.31 H new ATOM 0 HG23 THR A 29 -3.912 -9.622 -1.803 1.00 60.31 H new ATOM 452 N CYS A 30 -3.009 -10.795 1.149 1.00 44.10 N ATOM 453 CA CYS A 30 -3.058 -11.941 2.049 1.00 23.45 C ATOM 454 C CYS A 30 -3.768 -13.120 1.391 1.00 13.44 C ATOM 455 O CYS A 30 -4.955 -13.044 1.073 1.00 54.05 O ATOM 456 CB CYS A 30 -3.767 -11.564 3.351 1.00 74.14 C ATOM 457 SG CYS A 30 -5.329 -10.685 3.111 1.00 11.25 S ATOM 0 H CYS A 30 -3.883 -10.607 0.658 1.00 44.10 H new ATOM 0 HA CYS A 30 -2.034 -12.238 2.275 1.00 23.45 H new ATOM 0 HB2 CYS A 30 -3.957 -12.471 3.925 1.00 74.14 H new ATOM 0 HB3 CYS A 30 -3.100 -10.942 3.949 1.00 74.14 H new ATOM 0 HG CYS A 30 -5.992 -11.236 2.138 1.00 11.25 H new ATOM 463 N THR A 31 -3.034 -14.209 1.189 1.00 63.02 N ATOM 464 CA THR A 31 -3.592 -15.402 0.566 1.00 31.50 C ATOM 465 C THR A 31 -3.361 -16.635 1.433 1.00 0.43 C ATOM 466 O THR A 31 -2.227 -17.083 1.605 1.00 3.52 O ATOM 467 CB THR A 31 -2.982 -15.647 -0.827 1.00 23.32 C ATOM 468 OG1 THR A 31 -2.914 -14.416 -1.555 1.00 61.33 O ATOM 469 CG2 THR A 31 -3.805 -16.660 -1.608 1.00 71.11 C ATOM 0 H THR A 31 -2.051 -14.289 1.448 1.00 63.02 H new ATOM 0 HA THR A 31 -4.663 -15.231 0.460 1.00 31.50 H new ATOM 0 HB THR A 31 -1.976 -16.046 -0.694 1.00 23.32 H new ATOM 0 HG1 THR A 31 -1.982 -14.227 -1.791 1.00 61.33 H new ATOM 0 HG21 THR A 31 -3.355 -16.816 -2.588 1.00 71.11 H new ATOM 0 HG22 THR A 31 -3.830 -17.605 -1.065 1.00 71.11 H new ATOM 0 HG23 THR A 31 -4.821 -16.286 -1.731 1.00 71.11 H new ATOM 477 N THR A 32 -4.444 -17.180 1.979 1.00 63.43 N ATOM 478 CA THR A 32 -4.359 -18.361 2.829 1.00 63.11 C ATOM 479 C THR A 32 -4.802 -19.612 2.079 1.00 55.22 C ATOM 480 O THR A 32 -5.849 -19.621 1.431 1.00 15.31 O ATOM 481 CB THR A 32 -5.220 -18.204 4.096 1.00 2.23 C ATOM 482 OG1 THR A 32 -6.606 -18.356 3.769 1.00 5.02 O ATOM 483 CG2 THR A 32 -4.992 -16.845 4.740 1.00 2.52 C ATOM 0 H THR A 32 -5.390 -16.822 1.848 1.00 63.43 H new ATOM 0 HA THR A 32 -3.314 -18.466 3.120 1.00 63.11 H new ATOM 0 HB THR A 32 -4.928 -18.978 4.805 1.00 2.23 H new ATOM 0 HG1 THR A 32 -7.154 -18.101 4.540 1.00 5.02 H new ATOM 0 HG21 THR A 32 -5.611 -16.757 5.633 1.00 2.52 H new ATOM 0 HG22 THR A 32 -3.942 -16.744 5.015 1.00 2.52 H new ATOM 0 HG23 THR A 32 -5.260 -16.058 4.034 1.00 2.52 H new ATOM 491 N PHE A 33 -4.000 -20.667 2.171 1.00 72.21 N ATOM 492 CA PHE A 33 -4.311 -21.924 1.500 1.00 24.33 C ATOM 493 C PHE A 33 -4.509 -23.047 2.514 1.00 31.23 C ATOM 494 O PHE A 33 -4.547 -22.808 3.721 1.00 53.34 O ATOM 495 CB PHE A 33 -3.193 -22.296 0.524 1.00 43.53 C ATOM 496 CG PHE A 33 -3.012 -21.300 -0.587 1.00 30.52 C ATOM 497 CD1 PHE A 33 -3.846 -21.318 -1.693 1.00 14.42 C ATOM 498 CD2 PHE A 33 -2.007 -20.348 -0.525 1.00 33.31 C ATOM 499 CE1 PHE A 33 -3.683 -20.403 -2.716 1.00 71.13 C ATOM 500 CE2 PHE A 33 -1.839 -19.431 -1.545 1.00 75.10 C ATOM 501 CZ PHE A 33 -2.678 -19.459 -2.643 1.00 25.34 C ATOM 0 H PHE A 33 -3.130 -20.677 2.703 1.00 72.21 H new ATOM 0 HA PHE A 33 -5.240 -21.790 0.945 1.00 24.33 H new ATOM 0 HB2 PHE A 33 -2.257 -22.389 1.074 1.00 43.53 H new ATOM 0 HB3 PHE A 33 -3.408 -23.274 0.093 1.00 43.53 H new ATOM 0 HD1 PHE A 33 -4.633 -22.055 -1.757 1.00 14.42 H new ATOM 0 HD2 PHE A 33 -1.348 -20.322 0.330 1.00 33.31 H new ATOM 0 HE1 PHE A 33 -4.341 -20.426 -3.572 1.00 71.13 H new ATOM 0 HE2 PHE A 33 -1.053 -18.693 -1.484 1.00 75.10 H new ATOM 0 HZ PHE A 33 -2.548 -18.744 -3.442 1.00 25.34 H new ATOM 511 N GLU A 34 -4.635 -24.273 2.014 1.00 12.54 N ATOM 512 CA GLU A 34 -4.831 -25.432 2.877 1.00 72.14 C ATOM 513 C GLU A 34 -4.050 -26.635 2.356 1.00 20.22 C ATOM 514 O GLU A 34 -4.262 -27.764 2.797 1.00 3.14 O ATOM 515 CB GLU A 34 -6.318 -25.779 2.972 1.00 15.44 C ATOM 516 CG GLU A 34 -7.002 -25.907 1.621 1.00 22.24 C ATOM 517 CD GLU A 34 -7.668 -27.256 1.431 1.00 55.32 C ATOM 518 OE1 GLU A 34 -6.992 -28.188 0.949 1.00 70.43 O ATOM 519 OE2 GLU A 34 -8.866 -27.379 1.763 1.00 2.42 O ATOM 0 H GLU A 34 -4.605 -24.489 1.018 1.00 12.54 H new ATOM 0 HA GLU A 34 -4.460 -25.181 3.870 1.00 72.14 H new ATOM 0 HB2 GLU A 34 -6.429 -26.717 3.516 1.00 15.44 H new ATOM 0 HB3 GLU A 34 -6.825 -25.010 3.555 1.00 15.44 H new ATOM 0 HG2 GLU A 34 -7.749 -25.120 1.520 1.00 22.24 H new ATOM 0 HG3 GLU A 34 -6.268 -25.754 0.830 1.00 22.24 H new ATOM 526 N ASN A 35 -3.146 -26.384 1.415 1.00 72.25 N ATOM 527 CA ASN A 35 -2.334 -27.446 0.832 1.00 23.25 C ATOM 528 C ASN A 35 -1.110 -26.870 0.127 1.00 61.12 C ATOM 529 O ASN A 35 -1.234 -26.121 -0.841 1.00 42.11 O ATOM 530 CB ASN A 35 -3.164 -28.270 -0.154 1.00 32.03 C ATOM 531 CG ASN A 35 -2.385 -29.434 -0.735 1.00 1.12 C ATOM 532 OD1 ASN A 35 -1.201 -29.609 -0.445 1.00 72.21 O ATOM 533 ND2 ASN A 35 -3.047 -30.236 -1.560 1.00 73.12 N ATOM 0 H ASN A 35 -2.957 -25.455 1.040 1.00 72.25 H new ATOM 0 HA ASN A 35 -1.995 -28.094 1.640 1.00 23.25 H new ATOM 0 HB2 ASN A 35 -4.053 -28.648 0.351 1.00 32.03 H new ATOM 0 HB3 ASN A 35 -3.506 -27.626 -0.964 1.00 32.03 H new ATOM 0 HD21 ASN A 35 -2.575 -31.036 -1.982 1.00 73.12 H new ATOM 0 HD22 ASN A 35 -4.028 -30.053 -1.772 1.00 73.12 H new ATOM 540 N GLY A 36 0.073 -27.226 0.619 1.00 71.41 N ATOM 541 CA GLY A 36 1.302 -26.736 0.023 1.00 23.54 C ATOM 542 C GLY A 36 1.366 -26.994 -1.469 1.00 24.30 C ATOM 543 O GLY A 36 1.846 -26.156 -2.230 1.00 43.53 O ATOM 0 H GLY A 36 0.202 -27.845 1.419 1.00 71.41 H new ATOM 0 HA2 GLY A 36 1.390 -25.665 0.207 1.00 23.54 H new ATOM 0 HA3 GLY A 36 2.153 -27.214 0.508 1.00 23.54 H new ATOM 547 N ASN A 37 0.883 -28.159 -1.888 1.00 72.20 N ATOM 548 CA ASN A 37 0.890 -28.526 -3.299 1.00 75.25 C ATOM 549 C ASN A 37 0.031 -27.565 -4.116 1.00 34.14 C ATOM 550 O ASN A 37 0.199 -27.444 -5.328 1.00 45.04 O ATOM 551 CB ASN A 37 0.382 -29.959 -3.478 1.00 10.42 C ATOM 552 CG ASN A 37 -0.021 -30.255 -4.909 1.00 55.03 C ATOM 553 OD1 ASN A 37 0.822 -30.318 -5.803 1.00 44.15 O ATOM 554 ND2 ASN A 37 -1.318 -30.438 -5.133 1.00 24.44 N ATOM 0 H ASN A 37 0.482 -28.865 -1.271 1.00 72.20 H new ATOM 0 HA ASN A 37 1.917 -28.464 -3.659 1.00 75.25 H new ATOM 0 HB2 ASN A 37 1.160 -30.658 -3.170 1.00 10.42 H new ATOM 0 HB3 ASN A 37 -0.472 -30.123 -2.821 1.00 10.42 H new ATOM 0 HD21 ASN A 37 -1.649 -30.640 -6.076 1.00 24.44 H new ATOM 0 HD22 ASN A 37 -1.982 -30.377 -4.362 1.00 24.44 H new ATOM 561 N GLU A 38 -0.890 -26.884 -3.441 1.00 32.04 N ATOM 562 CA GLU A 38 -1.775 -25.934 -4.104 1.00 15.12 C ATOM 563 C GLU A 38 -1.159 -24.538 -4.124 1.00 23.23 C ATOM 564 O GLU A 38 -1.580 -23.672 -4.891 1.00 25.12 O ATOM 565 CB GLU A 38 -3.134 -25.893 -3.401 1.00 53.05 C ATOM 566 CG GLU A 38 -4.315 -25.929 -4.357 1.00 42.14 C ATOM 567 CD GLU A 38 -5.577 -26.458 -3.706 1.00 34.54 C ATOM 568 OE1 GLU A 38 -5.503 -26.903 -2.541 1.00 50.11 O ATOM 569 OE2 GLU A 38 -6.640 -26.428 -4.361 1.00 12.11 O ATOM 0 H GLU A 38 -1.042 -26.973 -2.436 1.00 32.04 H new ATOM 0 HA GLU A 38 -1.915 -26.265 -5.133 1.00 15.12 H new ATOM 0 HB2 GLU A 38 -3.205 -26.738 -2.717 1.00 53.05 H new ATOM 0 HB3 GLU A 38 -3.194 -24.988 -2.797 1.00 53.05 H new ATOM 0 HG2 GLU A 38 -4.501 -24.924 -4.737 1.00 42.14 H new ATOM 0 HG3 GLU A 38 -4.064 -26.553 -5.215 1.00 42.14 H new ATOM 576 N VAL A 39 -0.159 -24.327 -3.274 1.00 24.42 N ATOM 577 CA VAL A 39 0.517 -23.038 -3.193 1.00 42.01 C ATOM 578 C VAL A 39 1.696 -22.974 -4.157 1.00 63.34 C ATOM 579 O VAL A 39 1.955 -21.938 -4.772 1.00 20.43 O ATOM 580 CB VAL A 39 1.020 -22.756 -1.765 1.00 24.41 C ATOM 581 CG1 VAL A 39 1.390 -21.289 -1.608 1.00 61.24 C ATOM 582 CG2 VAL A 39 -0.029 -23.162 -0.741 1.00 61.41 C ATOM 0 H VAL A 39 0.201 -25.033 -2.632 1.00 24.42 H new ATOM 0 HA VAL A 39 -0.216 -22.279 -3.468 1.00 42.01 H new ATOM 0 HB VAL A 39 1.916 -23.352 -1.590 1.00 24.41 H new ATOM 0 HG11 VAL A 39 1.743 -21.109 -0.593 1.00 61.24 H new ATOM 0 HG12 VAL A 39 2.178 -21.035 -2.317 1.00 61.24 H new ATOM 0 HG13 VAL A 39 0.514 -20.670 -1.802 1.00 61.24 H new ATOM 0 HG21 VAL A 39 0.343 -22.956 0.263 1.00 61.41 H new ATOM 0 HG22 VAL A 39 -0.944 -22.595 -0.913 1.00 61.41 H new ATOM 0 HG23 VAL A 39 -0.239 -24.227 -0.838 1.00 61.41 H new ATOM 592 N LEU A 40 2.409 -24.088 -4.286 1.00 74.14 N ATOM 593 CA LEU A 40 3.562 -24.160 -5.177 1.00 75.14 C ATOM 594 C LEU A 40 3.208 -23.644 -6.568 1.00 72.05 C ATOM 595 O LEU A 40 3.968 -22.888 -7.173 1.00 22.51 O ATOM 596 CB LEU A 40 4.071 -25.600 -5.269 1.00 52.42 C ATOM 597 CG LEU A 40 4.742 -25.991 -6.586 1.00 73.42 C ATOM 598 CD1 LEU A 40 5.892 -25.047 -6.901 1.00 32.51 C ATOM 599 CD2 LEU A 40 5.232 -27.431 -6.528 1.00 14.04 C ATOM 0 H LEU A 40 2.209 -24.954 -3.785 1.00 74.14 H new ATOM 0 HA LEU A 40 4.349 -23.529 -4.765 1.00 75.14 H new ATOM 0 HB2 LEU A 40 4.781 -25.766 -4.459 1.00 52.42 H new ATOM 0 HB3 LEU A 40 3.231 -26.273 -5.099 1.00 52.42 H new ATOM 0 HG LEU A 40 4.005 -25.911 -7.385 1.00 73.42 H new ATOM 0 HD11 LEU A 40 6.357 -25.341 -7.842 1.00 32.51 H new ATOM 0 HD12 LEU A 40 5.514 -24.028 -6.986 1.00 32.51 H new ATOM 0 HD13 LEU A 40 6.631 -25.094 -6.101 1.00 32.51 H new ATOM 0 HD21 LEU A 40 5.707 -27.692 -7.474 1.00 14.04 H new ATOM 0 HD22 LEU A 40 5.954 -27.537 -5.718 1.00 14.04 H new ATOM 0 HD23 LEU A 40 4.387 -28.096 -6.351 1.00 14.04 H new ATOM 611 N ALA A 41 2.048 -24.056 -7.069 1.00 53.34 N ATOM 612 CA ALA A 41 1.591 -23.632 -8.387 1.00 41.31 C ATOM 613 C ALA A 41 1.141 -22.175 -8.370 1.00 3.34 C ATOM 614 O ALA A 41 1.242 -21.472 -9.375 1.00 21.11 O ATOM 615 CB ALA A 41 0.461 -24.529 -8.868 1.00 73.30 C ATOM 0 H ALA A 41 1.408 -24.683 -6.582 1.00 53.34 H new ATOM 0 HA ALA A 41 2.429 -23.718 -9.079 1.00 41.31 H new ATOM 0 HB1 ALA A 41 0.130 -24.201 -9.853 1.00 73.30 H new ATOM 0 HB2 ALA A 41 0.814 -25.558 -8.928 1.00 73.30 H new ATOM 0 HB3 ALA A 41 -0.372 -24.472 -8.168 1.00 73.30 H new ATOM 621 N ALA A 42 0.644 -21.728 -7.221 1.00 40.51 N ATOM 622 CA ALA A 42 0.180 -20.354 -7.073 1.00 50.30 C ATOM 623 C ALA A 42 1.286 -19.361 -7.415 1.00 13.21 C ATOM 624 O ALA A 42 1.026 -18.297 -7.979 1.00 44.01 O ATOM 625 CB ALA A 42 -0.325 -20.117 -5.658 1.00 34.15 C ATOM 0 H ALA A 42 0.552 -22.297 -6.380 1.00 40.51 H new ATOM 0 HA ALA A 42 -0.642 -20.197 -7.771 1.00 50.30 H new ATOM 0 HB1 ALA A 42 -0.668 -19.087 -5.562 1.00 34.15 H new ATOM 0 HB2 ALA A 42 -1.151 -20.796 -5.448 1.00 34.15 H new ATOM 0 HB3 ALA A 42 0.482 -20.298 -4.948 1.00 34.15 H new ATOM 631 N LEU A 43 2.519 -19.714 -7.070 1.00 31.03 N ATOM 632 CA LEU A 43 3.665 -18.853 -7.340 1.00 22.13 C ATOM 633 C LEU A 43 3.760 -18.523 -8.826 1.00 2.12 C ATOM 634 O LEU A 43 4.121 -17.408 -9.202 1.00 62.32 O ATOM 635 CB LEU A 43 4.956 -19.528 -6.872 1.00 40.30 C ATOM 636 CG LEU A 43 4.887 -20.247 -5.524 1.00 44.42 C ATOM 637 CD1 LEU A 43 6.234 -20.863 -5.179 1.00 30.20 C ATOM 638 CD2 LEU A 43 4.442 -19.287 -4.430 1.00 73.32 C ATOM 0 H LEU A 43 2.751 -20.590 -6.603 1.00 31.03 H new ATOM 0 HA LEU A 43 3.528 -17.923 -6.788 1.00 22.13 H new ATOM 0 HB2 LEU A 43 5.261 -20.249 -7.630 1.00 40.30 H new ATOM 0 HB3 LEU A 43 5.739 -18.772 -6.818 1.00 40.30 H new ATOM 0 HG LEU A 43 4.152 -21.048 -5.598 1.00 44.42 H new ATOM 0 HD11 LEU A 43 6.166 -21.370 -4.217 1.00 30.20 H new ATOM 0 HD12 LEU A 43 6.513 -21.582 -5.949 1.00 30.20 H new ATOM 0 HD13 LEU A 43 6.989 -20.079 -5.123 1.00 30.20 H new ATOM 0 HD21 LEU A 43 4.398 -19.816 -3.478 1.00 73.32 H new ATOM 0 HD22 LEU A 43 5.153 -18.464 -4.356 1.00 73.32 H new ATOM 0 HD23 LEU A 43 3.455 -18.893 -4.671 1.00 73.32 H new ATOM 650 N ALA A 44 3.432 -19.499 -9.666 1.00 14.02 N ATOM 651 CA ALA A 44 3.476 -19.311 -11.110 1.00 54.35 C ATOM 652 C ALA A 44 2.515 -18.211 -11.550 1.00 44.23 C ATOM 653 O ALA A 44 2.606 -17.705 -12.669 1.00 22.01 O ATOM 654 CB ALA A 44 3.149 -20.615 -11.823 1.00 2.11 C ATOM 0 H ALA A 44 3.133 -20.428 -9.371 1.00 14.02 H new ATOM 0 HA ALA A 44 4.487 -19.005 -11.380 1.00 54.35 H new ATOM 0 HB1 ALA A 44 3.186 -20.459 -12.901 1.00 2.11 H new ATOM 0 HB2 ALA A 44 3.877 -21.376 -11.541 1.00 2.11 H new ATOM 0 HB3 ALA A 44 2.150 -20.945 -11.538 1.00 2.11 H new ATOM 660 N SER A 45 1.595 -17.845 -10.663 1.00 62.45 N ATOM 661 CA SER A 45 0.615 -16.808 -10.962 1.00 72.13 C ATOM 662 C SER A 45 1.263 -15.427 -10.945 1.00 71.03 C ATOM 663 O SER A 45 1.478 -14.816 -11.992 1.00 52.23 O ATOM 664 CB SER A 45 -0.534 -16.857 -9.954 1.00 34.13 C ATOM 665 OG SER A 45 -1.552 -15.932 -10.295 1.00 10.33 O ATOM 0 H SER A 45 1.508 -18.251 -9.732 1.00 62.45 H new ATOM 0 HA SER A 45 0.220 -16.993 -11.961 1.00 72.13 H new ATOM 0 HB2 SER A 45 -0.950 -17.864 -9.921 1.00 34.13 H new ATOM 0 HB3 SER A 45 -0.156 -16.635 -8.956 1.00 34.13 H new ATOM 0 HG SER A 45 -2.276 -15.984 -9.636 1.00 10.33 H new ATOM 671 N LYS A 46 1.572 -14.940 -9.748 1.00 63.43 N ATOM 672 CA LYS A 46 2.197 -13.632 -9.592 1.00 21.33 C ATOM 673 C LYS A 46 3.496 -13.741 -8.799 1.00 14.02 C ATOM 674 O LYS A 46 4.267 -12.785 -8.716 1.00 41.40 O ATOM 675 CB LYS A 46 1.238 -12.667 -8.891 1.00 24.01 C ATOM 676 CG LYS A 46 0.785 -13.146 -7.523 1.00 32.42 C ATOM 677 CD LYS A 46 -0.617 -12.658 -7.197 1.00 61.45 C ATOM 678 CE LYS A 46 -0.618 -11.190 -6.800 1.00 23.31 C ATOM 679 NZ LYS A 46 -1.479 -10.373 -7.698 1.00 51.25 N ATOM 0 H LYS A 46 1.400 -15.432 -8.871 1.00 63.43 H new ATOM 0 HA LYS A 46 2.429 -13.247 -10.585 1.00 21.33 H new ATOM 0 HB2 LYS A 46 1.725 -11.698 -8.784 1.00 24.01 H new ATOM 0 HB3 LYS A 46 0.362 -12.516 -9.522 1.00 24.01 H new ATOM 0 HG2 LYS A 46 0.808 -14.235 -7.492 1.00 32.42 H new ATOM 0 HG3 LYS A 46 1.481 -12.790 -6.763 1.00 32.42 H new ATOM 0 HD2 LYS A 46 -1.264 -12.802 -8.062 1.00 61.45 H new ATOM 0 HD3 LYS A 46 -1.032 -13.256 -6.385 1.00 61.45 H new ATOM 0 HE2 LYS A 46 -0.969 -11.092 -5.773 1.00 23.31 H new ATOM 0 HE3 LYS A 46 0.402 -10.806 -6.827 1.00 23.31 H new ATOM 0 HZ1 LYS A 46 -1.453 -9.379 -7.394 1.00 51.25 H new ATOM 0 HZ2 LYS A 46 -1.129 -10.446 -8.675 1.00 51.25 H new ATOM 0 HZ3 LYS A 46 -2.457 -10.723 -7.654 1.00 51.25 H new ATOM 693 N THR A 47 3.733 -14.913 -8.218 1.00 13.04 N ATOM 694 CA THR A 47 4.938 -15.147 -7.432 1.00 12.51 C ATOM 695 C THR A 47 5.008 -14.200 -6.239 1.00 22.42 C ATOM 696 O THR A 47 5.278 -13.007 -6.377 1.00 60.11 O ATOM 697 CB THR A 47 6.208 -14.973 -8.286 1.00 52.21 C ATOM 698 OG1 THR A 47 5.857 -14.870 -9.671 1.00 32.25 O ATOM 699 CG2 THR A 47 7.160 -16.142 -8.084 1.00 73.13 C ATOM 0 H THR A 47 3.106 -15.715 -8.277 1.00 13.04 H new ATOM 0 HA THR A 47 4.888 -16.175 -7.074 1.00 12.51 H new ATOM 0 HB THR A 47 6.709 -14.058 -7.970 1.00 52.21 H new ATOM 0 HG1 THR A 47 6.670 -14.758 -10.207 1.00 32.25 H new ATOM 0 HG21 THR A 47 8.049 -15.997 -8.697 1.00 73.13 H new ATOM 0 HG22 THR A 47 7.448 -16.199 -7.034 1.00 73.13 H new ATOM 0 HG23 THR A 47 6.665 -17.069 -8.376 1.00 73.13 H new ATOM 707 N PRO A 48 4.761 -14.743 -5.037 1.00 52.41 N ATOM 708 CA PRO A 48 4.792 -13.964 -3.796 1.00 13.33 C ATOM 709 C PRO A 48 6.204 -13.530 -3.418 1.00 61.23 C ATOM 710 O PRO A 48 7.186 -14.069 -3.929 1.00 43.21 O ATOM 711 CB PRO A 48 4.234 -14.936 -2.753 1.00 42.20 C ATOM 712 CG PRO A 48 4.526 -16.289 -3.303 1.00 20.32 C ATOM 713 CD PRO A 48 4.433 -16.158 -4.798 1.00 35.02 C ATOM 0 HA PRO A 48 4.224 -13.038 -3.883 1.00 13.33 H new ATOM 0 HB2 PRO A 48 4.710 -14.792 -1.783 1.00 42.20 H new ATOM 0 HB3 PRO A 48 3.164 -14.790 -2.608 1.00 42.20 H new ATOM 0 HG2 PRO A 48 5.518 -16.627 -3.002 1.00 20.32 H new ATOM 0 HG3 PRO A 48 3.812 -17.024 -2.931 1.00 20.32 H new ATOM 0 HD2 PRO A 48 5.132 -16.824 -5.304 1.00 35.02 H new ATOM 0 HD3 PRO A 48 3.436 -16.407 -5.162 1.00 35.02 H new ATOM 721 N ASP A 49 6.299 -12.555 -2.521 1.00 53.14 N ATOM 722 CA ASP A 49 7.592 -12.050 -2.074 1.00 72.13 C ATOM 723 C ASP A 49 8.076 -12.810 -0.843 1.00 55.10 C ATOM 724 O ASP A 49 9.233 -12.689 -0.441 1.00 71.42 O ATOM 725 CB ASP A 49 7.500 -10.555 -1.763 1.00 32.50 C ATOM 726 CG ASP A 49 8.385 -9.720 -2.667 1.00 24.33 C ATOM 727 OD1 ASP A 49 8.086 -9.635 -3.876 1.00 31.02 O ATOM 728 OD2 ASP A 49 9.379 -9.153 -2.165 1.00 15.30 O ATOM 0 H ASP A 49 5.496 -12.098 -2.089 1.00 53.14 H new ATOM 0 HA ASP A 49 8.312 -12.202 -2.878 1.00 72.13 H new ATOM 0 HB2 ASP A 49 6.466 -10.228 -1.869 1.00 32.50 H new ATOM 0 HB3 ASP A 49 7.783 -10.385 -0.724 1.00 32.50 H new ATOM 733 N VAL A 50 7.181 -13.592 -0.247 1.00 70.23 N ATOM 734 CA VAL A 50 7.516 -14.372 0.938 1.00 3.23 C ATOM 735 C VAL A 50 6.323 -15.194 1.411 1.00 73.11 C ATOM 736 O VAL A 50 5.173 -14.771 1.282 1.00 60.01 O ATOM 737 CB VAL A 50 7.990 -13.466 2.090 1.00 0.23 C ATOM 738 CG1 VAL A 50 6.941 -12.410 2.406 1.00 62.33 C ATOM 739 CG2 VAL A 50 8.310 -14.297 3.324 1.00 40.42 C ATOM 0 H VAL A 50 6.218 -13.702 -0.566 1.00 70.23 H new ATOM 0 HA VAL A 50 8.327 -15.044 0.656 1.00 3.23 H new ATOM 0 HB VAL A 50 8.901 -12.956 1.777 1.00 0.23 H new ATOM 0 HG11 VAL A 50 7.294 -11.780 3.222 1.00 62.33 H new ATOM 0 HG12 VAL A 50 6.766 -11.796 1.523 1.00 62.33 H new ATOM 0 HG13 VAL A 50 6.011 -12.897 2.700 1.00 62.33 H new ATOM 0 HG21 VAL A 50 8.643 -13.641 4.128 1.00 40.42 H new ATOM 0 HG22 VAL A 50 7.417 -14.835 3.642 1.00 40.42 H new ATOM 0 HG23 VAL A 50 9.099 -15.011 3.087 1.00 40.42 H new ATOM 749 N LEU A 51 6.602 -16.371 1.959 1.00 24.24 N ATOM 750 CA LEU A 51 5.551 -17.254 2.453 1.00 64.41 C ATOM 751 C LEU A 51 5.887 -17.775 3.847 1.00 44.22 C ATOM 752 O LEU A 51 7.053 -17.812 4.243 1.00 62.31 O ATOM 753 CB LEU A 51 5.352 -18.428 1.492 1.00 35.04 C ATOM 754 CG LEU A 51 3.902 -18.783 1.159 1.00 41.01 C ATOM 755 CD1 LEU A 51 3.767 -19.148 -0.311 1.00 54.33 C ATOM 756 CD2 LEU A 51 3.416 -19.924 2.040 1.00 21.34 C ATOM 0 H LEU A 51 7.547 -16.736 2.073 1.00 24.24 H new ATOM 0 HA LEU A 51 4.626 -16.680 2.513 1.00 64.41 H new ATOM 0 HB2 LEU A 51 5.873 -18.202 0.561 1.00 35.04 H new ATOM 0 HB3 LEU A 51 5.832 -19.308 1.921 1.00 35.04 H new ATOM 0 HG LEU A 51 3.280 -17.910 1.355 1.00 41.01 H new ATOM 0 HD11 LEU A 51 2.729 -19.398 -0.530 1.00 54.33 H new ATOM 0 HD12 LEU A 51 4.074 -18.302 -0.926 1.00 54.33 H new ATOM 0 HD13 LEU A 51 4.401 -20.006 -0.532 1.00 54.33 H new ATOM 0 HD21 LEU A 51 2.383 -20.163 1.789 1.00 21.34 H new ATOM 0 HD22 LEU A 51 4.041 -20.802 1.876 1.00 21.34 H new ATOM 0 HD23 LEU A 51 3.475 -19.626 3.087 1.00 21.34 H new ATOM 768 N LEU A 52 4.860 -18.177 4.586 1.00 74.31 N ATOM 769 CA LEU A 52 5.046 -18.699 5.936 1.00 55.53 C ATOM 770 C LEU A 52 4.240 -19.978 6.141 1.00 3.53 C ATOM 771 O LEU A 52 3.047 -19.930 6.438 1.00 75.51 O ATOM 772 CB LEU A 52 4.632 -17.650 6.970 1.00 72.11 C ATOM 773 CG LEU A 52 4.684 -16.194 6.507 1.00 4.42 C ATOM 774 CD1 LEU A 52 3.328 -15.751 5.981 1.00 32.40 C ATOM 775 CD2 LEU A 52 5.138 -15.289 7.644 1.00 64.15 C ATOM 0 H LEU A 52 3.889 -18.152 4.274 1.00 74.31 H new ATOM 0 HA LEU A 52 6.103 -18.933 6.067 1.00 55.53 H new ATOM 0 HB2 LEU A 52 3.615 -17.871 7.295 1.00 72.11 H new ATOM 0 HB3 LEU A 52 5.276 -17.756 7.843 1.00 72.11 H new ATOM 0 HG LEU A 52 5.408 -16.117 5.696 1.00 4.42 H new ATOM 0 HD11 LEU A 52 3.385 -14.712 5.656 1.00 32.40 H new ATOM 0 HD12 LEU A 52 3.042 -16.379 5.138 1.00 32.40 H new ATOM 0 HD13 LEU A 52 2.583 -15.843 6.771 1.00 32.40 H new ATOM 0 HD21 LEU A 52 5.169 -14.256 7.297 1.00 64.15 H new ATOM 0 HD22 LEU A 52 4.438 -15.371 8.476 1.00 64.15 H new ATOM 0 HD23 LEU A 52 6.132 -15.591 7.975 1.00 64.15 H new ATOM 787 N SER A 53 4.902 -21.119 5.984 1.00 63.35 N ATOM 788 CA SER A 53 4.248 -22.412 6.150 1.00 12.33 C ATOM 789 C SER A 53 4.253 -22.838 7.615 1.00 21.31 C ATOM 790 O SER A 53 5.301 -22.870 8.260 1.00 22.11 O ATOM 791 CB SER A 53 4.943 -23.473 5.296 1.00 61.23 C ATOM 792 OG SER A 53 6.313 -23.587 5.639 1.00 43.03 O ATOM 0 H SER A 53 5.891 -21.175 5.742 1.00 63.35 H new ATOM 0 HA SER A 53 3.213 -22.313 5.821 1.00 12.33 H new ATOM 0 HB2 SER A 53 4.449 -24.435 5.433 1.00 61.23 H new ATOM 0 HB3 SER A 53 4.849 -23.214 4.241 1.00 61.23 H new ATOM 0 HG SER A 53 6.425 -23.423 6.599 1.00 43.03 H new ATOM 798 N ASP A 54 3.075 -23.165 8.133 1.00 35.45 N ATOM 799 CA ASP A 54 2.942 -23.591 9.522 1.00 74.42 C ATOM 800 C ASP A 54 3.287 -25.070 9.672 1.00 13.30 C ATOM 801 O ASP A 54 3.476 -25.563 10.784 1.00 12.03 O ATOM 802 CB ASP A 54 1.520 -23.333 10.023 1.00 73.41 C ATOM 803 CG ASP A 54 1.392 -23.519 11.522 1.00 13.31 C ATOM 804 OD1 ASP A 54 1.341 -24.682 11.974 1.00 51.35 O ATOM 805 OD2 ASP A 54 1.341 -22.501 12.244 1.00 44.40 O ATOM 0 H ASP A 54 2.198 -23.144 7.613 1.00 35.45 H new ATOM 0 HA ASP A 54 3.642 -23.010 10.123 1.00 74.42 H new ATOM 0 HB2 ASP A 54 1.223 -22.318 9.759 1.00 73.41 H new ATOM 0 HB3 ASP A 54 0.831 -24.008 9.516 1.00 73.41 H new ATOM 810 N ILE A 55 3.366 -25.771 8.546 1.00 10.21 N ATOM 811 CA ILE A 55 3.688 -27.192 8.553 1.00 22.41 C ATOM 812 C ILE A 55 2.660 -27.985 9.352 1.00 33.25 C ATOM 813 O ILE A 55 2.880 -28.308 10.520 1.00 44.31 O ATOM 814 CB ILE A 55 5.088 -27.449 9.141 1.00 21.53 C ATOM 815 CG1 ILE A 55 6.117 -26.523 8.490 1.00 11.10 C ATOM 816 CG2 ILE A 55 5.483 -28.906 8.951 1.00 64.15 C ATOM 817 CD1 ILE A 55 7.519 -26.703 9.029 1.00 72.14 C ATOM 0 H ILE A 55 3.211 -25.378 7.618 1.00 10.21 H new ATOM 0 HA ILE A 55 3.672 -27.524 7.515 1.00 22.41 H new ATOM 0 HB ILE A 55 5.061 -27.236 10.210 1.00 21.53 H new ATOM 0 HG12 ILE A 55 6.124 -26.701 7.415 1.00 11.10 H new ATOM 0 HG13 ILE A 55 5.809 -25.488 8.640 1.00 11.10 H new ATOM 0 HG21 ILE A 55 6.475 -29.072 9.372 1.00 64.15 H new ATOM 0 HG22 ILE A 55 4.762 -29.547 9.458 1.00 64.15 H new ATOM 0 HG23 ILE A 55 5.496 -29.144 7.887 1.00 64.15 H new ATOM 0 HD11 ILE A 55 8.195 -26.014 8.522 1.00 72.14 H new ATOM 0 HD12 ILE A 55 7.527 -26.497 10.099 1.00 72.14 H new ATOM 0 HD13 ILE A 55 7.847 -27.728 8.855 1.00 72.14 H new ATOM 829 N ARG A 56 1.536 -28.298 8.715 1.00 1.33 N ATOM 830 CA ARG A 56 0.473 -29.054 9.367 1.00 43.23 C ATOM 831 C ARG A 56 -0.221 -29.982 8.374 1.00 41.41 C ATOM 832 O ARG A 56 -1.435 -30.175 8.435 1.00 63.13 O ATOM 833 CB ARG A 56 -0.548 -28.103 9.992 1.00 15.35 C ATOM 834 CG ARG A 56 0.071 -27.063 10.912 1.00 12.01 C ATOM 835 CD ARG A 56 0.600 -27.694 12.190 1.00 23.41 C ATOM 836 NE ARG A 56 -0.468 -27.971 13.147 1.00 24.41 N ATOM 837 CZ ARG A 56 -1.105 -27.027 13.831 1.00 63.52 C ATOM 838 NH1 ARG A 56 -0.784 -25.752 13.664 1.00 65.04 N ATOM 839 NH2 ARG A 56 -2.066 -27.359 14.684 1.00 42.43 N ATOM 0 H ARG A 56 1.338 -28.040 7.748 1.00 1.33 H new ATOM 0 HA ARG A 56 0.922 -29.661 10.153 1.00 43.23 H new ATOM 0 HB2 ARG A 56 -1.092 -27.594 9.196 1.00 15.35 H new ATOM 0 HB3 ARG A 56 -1.277 -28.686 10.555 1.00 15.35 H new ATOM 0 HG2 ARG A 56 0.883 -26.554 10.393 1.00 12.01 H new ATOM 0 HG3 ARG A 56 -0.673 -26.306 11.160 1.00 12.01 H new ATOM 0 HD2 ARG A 56 1.119 -28.621 11.948 1.00 23.41 H new ATOM 0 HD3 ARG A 56 1.332 -27.028 12.647 1.00 23.41 H new ATOM 0 HE ARG A 56 -0.740 -28.942 13.298 1.00 24.41 H new ATOM 0 HH11 ARG A 56 -0.046 -25.493 13.009 1.00 65.04 H new ATOM 0 HH12 ARG A 56 -1.275 -25.029 14.191 1.00 65.04 H new ATOM 0 HH21 ARG A 56 -2.316 -28.339 14.815 1.00 42.43 H new ATOM 0 HH22 ARG A 56 -2.555 -26.634 15.209 1.00 42.43 H new ATOM 853 N MET A 57 0.558 -30.552 7.461 1.00 61.03 N ATOM 854 CA MET A 57 0.018 -31.460 6.455 1.00 11.14 C ATOM 855 C MET A 57 0.458 -32.895 6.726 1.00 24.01 C ATOM 856 O MET A 57 1.589 -33.155 7.139 1.00 71.44 O ATOM 857 CB MET A 57 0.466 -31.032 5.057 1.00 44.42 C ATOM 858 CG MET A 57 0.560 -29.524 4.884 1.00 63.42 C ATOM 859 SD MET A 57 2.210 -28.886 5.235 1.00 71.45 S ATOM 860 CE MET A 57 2.223 -27.407 4.224 1.00 32.52 C ATOM 0 H MET A 57 1.565 -30.402 7.397 1.00 61.03 H new ATOM 0 HA MET A 57 -1.070 -31.416 6.509 1.00 11.14 H new ATOM 0 HB2 MET A 57 1.439 -31.475 4.845 1.00 44.42 H new ATOM 0 HB3 MET A 57 -0.233 -31.431 4.322 1.00 44.42 H new ATOM 0 HG2 MET A 57 0.283 -29.261 3.863 1.00 63.42 H new ATOM 0 HG3 MET A 57 -0.160 -29.041 5.544 1.00 63.42 H new ATOM 0 HE1 MET A 57 3.200 -26.928 4.292 1.00 32.52 H new ATOM 0 HE2 MET A 57 2.021 -27.674 3.187 1.00 32.52 H new ATOM 0 HE3 MET A 57 1.456 -26.718 4.577 1.00 32.52 H new ATOM 870 N PRO A 58 -0.454 -33.850 6.490 1.00 43.42 N ATOM 871 CA PRO A 58 -0.181 -35.274 6.701 1.00 34.43 C ATOM 872 C PRO A 58 0.809 -35.832 5.685 1.00 23.32 C ATOM 873 O PRO A 58 1.785 -36.487 6.050 1.00 50.01 O ATOM 874 CB PRO A 58 -1.554 -35.928 6.524 1.00 12.02 C ATOM 875 CG PRO A 58 -2.310 -34.990 5.648 1.00 52.11 C ATOM 876 CD PRO A 58 -1.821 -33.612 5.997 1.00 1.43 C ATOM 0 HA PRO A 58 0.274 -35.462 7.673 1.00 34.43 H new ATOM 0 HB2 PRO A 58 -1.467 -36.914 6.067 1.00 12.02 H new ATOM 0 HB3 PRO A 58 -2.054 -36.064 7.483 1.00 12.02 H new ATOM 0 HG2 PRO A 58 -2.134 -35.212 4.595 1.00 52.11 H new ATOM 0 HG3 PRO A 58 -3.383 -35.078 5.817 1.00 52.11 H new ATOM 0 HD2 PRO A 58 -1.826 -32.952 5.129 1.00 1.43 H new ATOM 0 HD3 PRO A 58 -2.447 -33.144 6.757 1.00 1.43 H new ATOM 884 N GLY A 59 0.552 -35.568 4.408 1.00 60.23 N ATOM 885 CA GLY A 59 1.431 -36.051 3.359 1.00 72.23 C ATOM 886 C GLY A 59 2.779 -35.357 3.366 1.00 35.42 C ATOM 887 O GLY A 59 3.814 -36.001 3.530 1.00 64.12 O ATOM 0 H GLY A 59 -0.249 -35.028 4.081 1.00 60.23 H new ATOM 0 HA2 GLY A 59 1.578 -37.124 3.478 1.00 72.23 H new ATOM 0 HA3 GLY A 59 0.953 -35.900 2.391 1.00 72.23 H new ATOM 891 N MET A 60 2.765 -34.041 3.187 1.00 43.42 N ATOM 892 CA MET A 60 3.997 -33.259 3.173 1.00 34.21 C ATOM 893 C MET A 60 4.435 -32.910 4.592 1.00 72.21 C ATOM 894 O MET A 60 3.603 -32.730 5.482 1.00 43.33 O ATOM 895 CB MET A 60 3.805 -31.980 2.357 1.00 52.32 C ATOM 896 CG MET A 60 3.578 -32.232 0.875 1.00 24.30 C ATOM 897 SD MET A 60 1.836 -32.451 0.466 1.00 50.41 S ATOM 898 CE MET A 60 1.550 -31.020 -0.573 1.00 3.20 C ATOM 0 H MET A 60 1.916 -33.493 3.050 1.00 43.42 H new ATOM 0 HA MET A 60 4.777 -33.863 2.709 1.00 34.21 H new ATOM 0 HB2 MET A 60 2.955 -31.428 2.757 1.00 52.32 H new ATOM 0 HB3 MET A 60 4.683 -31.346 2.479 1.00 52.32 H new ATOM 0 HG2 MET A 60 3.979 -31.395 0.303 1.00 24.30 H new ATOM 0 HG3 MET A 60 4.133 -33.120 0.572 1.00 24.30 H new ATOM 0 HE1 MET A 60 0.632 -31.162 -1.144 1.00 3.20 H new ATOM 0 HE2 MET A 60 1.456 -30.131 0.050 1.00 3.20 H new ATOM 0 HE3 MET A 60 2.388 -30.895 -1.259 1.00 3.20 H new ATOM 908 N ASP A 61 5.744 -32.817 4.796 1.00 62.32 N ATOM 909 CA ASP A 61 6.292 -32.489 6.107 1.00 65.13 C ATOM 910 C ASP A 61 6.533 -30.988 6.235 1.00 63.23 C ATOM 911 O ASP A 61 7.351 -30.547 7.041 1.00 14.15 O ATOM 912 CB ASP A 61 7.598 -33.250 6.342 1.00 44.31 C ATOM 913 CG ASP A 61 7.366 -34.639 6.903 1.00 43.11 C ATOM 914 OD1 ASP A 61 7.191 -35.581 6.102 1.00 63.12 O ATOM 915 OD2 ASP A 61 7.361 -34.784 8.143 1.00 74.10 O ATOM 0 H ASP A 61 6.446 -32.964 4.070 1.00 62.32 H new ATOM 0 HA ASP A 61 5.565 -32.788 6.863 1.00 65.13 H new ATOM 0 HB2 ASP A 61 8.144 -33.328 5.402 1.00 44.31 H new ATOM 0 HB3 ASP A 61 8.226 -32.684 7.030 1.00 44.31 H new ATOM 920 N GLY A 62 5.816 -30.208 5.432 1.00 61.05 N ATOM 921 CA GLY A 62 5.967 -28.765 5.470 1.00 64.21 C ATOM 922 C GLY A 62 7.123 -28.281 4.617 1.00 51.52 C ATOM 923 O GLY A 62 6.953 -27.403 3.769 1.00 4.23 O ATOM 0 H GLY A 62 5.133 -30.550 4.756 1.00 61.05 H new ATOM 0 HA2 GLY A 62 5.045 -28.297 5.126 1.00 64.21 H new ATOM 0 HA3 GLY A 62 6.121 -28.446 6.501 1.00 64.21 H new ATOM 927 N LEU A 63 8.301 -28.851 4.841 1.00 64.12 N ATOM 928 CA LEU A 63 9.491 -28.471 4.087 1.00 41.11 C ATOM 929 C LEU A 63 9.544 -29.201 2.748 1.00 11.55 C ATOM 930 O LEU A 63 10.297 -28.820 1.852 1.00 31.54 O ATOM 931 CB LEU A 63 10.752 -28.777 4.897 1.00 12.35 C ATOM 932 CG LEU A 63 10.714 -30.050 5.743 1.00 72.31 C ATOM 933 CD1 LEU A 63 10.368 -31.254 4.880 1.00 43.22 C ATOM 934 CD2 LEU A 63 12.045 -30.262 6.448 1.00 24.13 C ATOM 0 H LEU A 63 8.458 -29.578 5.539 1.00 64.12 H new ATOM 0 HA LEU A 63 9.441 -27.399 3.894 1.00 41.11 H new ATOM 0 HB2 LEU A 63 11.594 -28.848 4.208 1.00 12.35 H new ATOM 0 HB3 LEU A 63 10.950 -27.932 5.557 1.00 12.35 H new ATOM 0 HG LEU A 63 9.939 -29.937 6.501 1.00 72.31 H new ATOM 0 HD11 LEU A 63 10.346 -32.151 5.499 1.00 43.22 H new ATOM 0 HD12 LEU A 63 9.390 -31.105 4.422 1.00 43.22 H new ATOM 0 HD13 LEU A 63 11.120 -31.370 4.100 1.00 43.22 H new ATOM 0 HD21 LEU A 63 11.999 -31.173 7.045 1.00 24.13 H new ATOM 0 HD22 LEU A 63 12.839 -30.354 5.707 1.00 24.13 H new ATOM 0 HD23 LEU A 63 12.252 -29.412 7.098 1.00 24.13 H new ATOM 946 N ALA A 64 8.737 -30.249 2.620 1.00 65.12 N ATOM 947 CA ALA A 64 8.689 -31.029 1.389 1.00 22.24 C ATOM 948 C ALA A 64 8.665 -30.121 0.164 1.00 21.44 C ATOM 949 O ALA A 64 9.547 -30.195 -0.693 1.00 14.41 O ATOM 950 CB ALA A 64 7.475 -31.946 1.393 1.00 20.12 C ATOM 0 H ALA A 64 8.108 -30.577 3.353 1.00 65.12 H new ATOM 0 HA ALA A 64 9.591 -31.639 1.339 1.00 22.24 H new ATOM 0 HB1 ALA A 64 7.451 -32.522 0.468 1.00 20.12 H new ATOM 0 HB2 ALA A 64 7.535 -32.626 2.243 1.00 20.12 H new ATOM 0 HB3 ALA A 64 6.567 -31.348 1.471 1.00 20.12 H new ATOM 956 N LEU A 65 7.651 -29.267 0.087 1.00 1.32 N ATOM 957 CA LEU A 65 7.512 -28.344 -1.034 1.00 73.22 C ATOM 958 C LEU A 65 8.459 -27.158 -0.885 1.00 23.32 C ATOM 959 O LEU A 65 8.833 -26.520 -1.870 1.00 73.20 O ATOM 960 CB LEU A 65 6.068 -27.848 -1.136 1.00 21.50 C ATOM 961 CG LEU A 65 5.714 -26.632 -0.280 1.00 44.42 C ATOM 962 CD1 LEU A 65 4.340 -26.099 -0.652 1.00 55.24 C ATOM 963 CD2 LEU A 65 5.769 -26.986 1.199 1.00 53.23 C ATOM 0 H LEU A 65 6.913 -29.194 0.787 1.00 1.32 H new ATOM 0 HA LEU A 65 7.772 -28.880 -1.947 1.00 73.22 H new ATOM 0 HB2 LEU A 65 5.861 -27.606 -2.178 1.00 21.50 H new ATOM 0 HB3 LEU A 65 5.403 -28.667 -0.861 1.00 21.50 H new ATOM 0 HG LEU A 65 6.448 -25.850 -0.473 1.00 44.42 H new ATOM 0 HD11 LEU A 65 4.105 -25.234 -0.032 1.00 55.24 H new ATOM 0 HD12 LEU A 65 4.336 -25.805 -1.702 1.00 55.24 H new ATOM 0 HD13 LEU A 65 3.592 -26.875 -0.489 1.00 55.24 H new ATOM 0 HD21 LEU A 65 5.514 -26.108 1.793 1.00 53.23 H new ATOM 0 HD22 LEU A 65 5.058 -27.785 1.409 1.00 53.23 H new ATOM 0 HD23 LEU A 65 6.775 -27.319 1.456 1.00 53.23 H new ATOM 975 N LEU A 66 8.846 -26.869 0.353 1.00 65.44 N ATOM 976 CA LEU A 66 9.753 -25.761 0.632 1.00 62.24 C ATOM 977 C LEU A 66 11.143 -26.040 0.069 1.00 41.14 C ATOM 978 O LEU A 66 11.919 -25.118 -0.185 1.00 53.10 O ATOM 979 CB LEU A 66 9.841 -25.515 2.139 1.00 71.22 C ATOM 980 CG LEU A 66 9.859 -24.051 2.580 1.00 34.21 C ATOM 981 CD1 LEU A 66 10.882 -23.264 1.776 1.00 14.22 C ATOM 982 CD2 LEU A 66 8.475 -23.434 2.436 1.00 21.13 C ATOM 0 H LEU A 66 8.546 -27.386 1.179 1.00 65.44 H new ATOM 0 HA LEU A 66 9.357 -24.869 0.147 1.00 62.24 H new ATOM 0 HB2 LEU A 66 8.994 -26.007 2.617 1.00 71.22 H new ATOM 0 HB3 LEU A 66 10.744 -25.998 2.514 1.00 71.22 H new ATOM 0 HG LEU A 66 10.145 -24.011 3.631 1.00 34.21 H new ATOM 0 HD11 LEU A 66 10.881 -22.224 2.104 1.00 14.22 H new ATOM 0 HD12 LEU A 66 11.873 -23.692 1.930 1.00 14.22 H new ATOM 0 HD13 LEU A 66 10.627 -23.311 0.717 1.00 14.22 H new ATOM 0 HD21 LEU A 66 8.506 -22.392 2.754 1.00 21.13 H new ATOM 0 HD22 LEU A 66 8.160 -23.486 1.394 1.00 21.13 H new ATOM 0 HD23 LEU A 66 7.766 -23.982 3.057 1.00 21.13 H new ATOM 994 N LYS A 67 11.451 -27.317 -0.127 1.00 23.51 N ATOM 995 CA LYS A 67 12.746 -27.719 -0.664 1.00 22.25 C ATOM 996 C LYS A 67 12.886 -27.296 -2.122 1.00 54.03 C ATOM 997 O LYS A 67 13.994 -27.078 -2.611 1.00 31.31 O ATOM 998 CB LYS A 67 12.924 -29.234 -0.542 1.00 31.32 C ATOM 999 CG LYS A 67 13.211 -29.701 0.875 1.00 60.22 C ATOM 1000 CD LYS A 67 14.540 -29.164 1.380 1.00 34.43 C ATOM 1001 CE LYS A 67 15.697 -29.633 0.511 1.00 12.44 C ATOM 1002 NZ LYS A 67 17.007 -29.483 1.204 1.00 35.12 N ATOM 0 H LYS A 67 10.821 -28.093 0.078 1.00 23.51 H new ATOM 0 HA LYS A 67 13.522 -27.220 -0.084 1.00 22.25 H new ATOM 0 HB2 LYS A 67 12.021 -29.728 -0.902 1.00 31.32 H new ATOM 0 HB3 LYS A 67 13.741 -29.549 -1.192 1.00 31.32 H new ATOM 0 HG2 LYS A 67 12.410 -29.373 1.537 1.00 60.22 H new ATOM 0 HG3 LYS A 67 13.223 -30.791 0.905 1.00 60.22 H new ATOM 0 HD2 LYS A 67 14.512 -28.074 1.393 1.00 34.43 H new ATOM 0 HD3 LYS A 67 14.699 -29.491 2.407 1.00 34.43 H new ATOM 0 HE2 LYS A 67 15.547 -30.678 0.240 1.00 12.44 H new ATOM 0 HE3 LYS A 67 15.709 -29.061 -0.417 1.00 12.44 H new ATOM 0 HZ1 LYS A 67 17.770 -29.813 0.579 1.00 35.12 H new ATOM 0 HZ2 LYS A 67 17.162 -28.482 1.441 1.00 35.12 H new ATOM 0 HZ3 LYS A 67 17.005 -30.049 2.077 1.00 35.12 H new ATOM 1016 N GLN A 68 11.755 -27.180 -2.811 1.00 33.31 N ATOM 1017 CA GLN A 68 11.752 -26.782 -4.214 1.00 22.14 C ATOM 1018 C GLN A 68 11.741 -25.263 -4.348 1.00 61.02 C ATOM 1019 O GLN A 68 12.148 -24.718 -5.375 1.00 22.42 O ATOM 1020 CB GLN A 68 10.541 -27.379 -4.933 1.00 1.42 C ATOM 1021 CG GLN A 68 9.295 -26.512 -4.848 1.00 3.40 C ATOM 1022 CD GLN A 68 8.022 -27.328 -4.743 1.00 42.14 C ATOM 1023 OE1 GLN A 68 7.966 -28.473 -5.194 1.00 3.42 O ATOM 1024 NE2 GLN A 68 6.990 -26.742 -4.147 1.00 25.42 N ATOM 0 H GLN A 68 10.829 -27.356 -2.421 1.00 33.31 H new ATOM 0 HA GLN A 68 12.663 -27.163 -4.676 1.00 22.14 H new ATOM 0 HB2 GLN A 68 10.793 -27.537 -5.982 1.00 1.42 H new ATOM 0 HB3 GLN A 68 10.322 -28.358 -4.507 1.00 1.42 H new ATOM 0 HG2 GLN A 68 9.373 -25.855 -3.982 1.00 3.40 H new ATOM 0 HG3 GLN A 68 9.241 -25.873 -5.729 1.00 3.40 H new ATOM 0 HE21 GLN A 68 7.081 -25.792 -3.788 1.00 25.42 H new ATOM 0 HE22 GLN A 68 6.107 -27.242 -4.048 1.00 25.42 H new ATOM 1033 N ILE A 69 11.273 -24.585 -3.306 1.00 34.11 N ATOM 1034 CA ILE A 69 11.209 -23.129 -3.308 1.00 44.12 C ATOM 1035 C ILE A 69 12.604 -22.518 -3.402 1.00 74.31 C ATOM 1036 O ILE A 69 12.775 -21.408 -3.905 1.00 12.40 O ATOM 1037 CB ILE A 69 10.511 -22.594 -2.044 1.00 51.43 C ATOM 1038 CG1 ILE A 69 9.062 -23.081 -1.991 1.00 55.01 C ATOM 1039 CG2 ILE A 69 10.566 -21.074 -2.012 1.00 51.42 C ATOM 1040 CD1 ILE A 69 8.336 -22.682 -0.725 1.00 61.20 C ATOM 0 H ILE A 69 10.932 -25.021 -2.449 1.00 34.11 H new ATOM 0 HA ILE A 69 10.628 -22.840 -4.184 1.00 44.12 H new ATOM 0 HB ILE A 69 11.035 -22.976 -1.168 1.00 51.43 H new ATOM 0 HG12 ILE A 69 8.522 -22.684 -2.850 1.00 55.01 H new ATOM 0 HG13 ILE A 69 9.049 -24.167 -2.081 1.00 55.01 H new ATOM 0 HG21 ILE A 69 10.069 -20.711 -1.113 1.00 51.42 H new ATOM 0 HG22 ILE A 69 11.606 -20.748 -2.008 1.00 51.42 H new ATOM 0 HG23 ILE A 69 10.063 -20.673 -2.892 1.00 51.42 H new ATOM 0 HD11 ILE A 69 7.315 -23.061 -0.757 1.00 61.20 H new ATOM 0 HD12 ILE A 69 8.852 -23.102 0.138 1.00 61.20 H new ATOM 0 HD13 ILE A 69 8.317 -21.595 -0.643 1.00 61.20 H new ATOM 1052 N LYS A 70 13.599 -23.252 -2.916 1.00 71.31 N ATOM 1053 CA LYS A 70 14.980 -22.786 -2.947 1.00 60.11 C ATOM 1054 C LYS A 70 15.585 -22.969 -4.335 1.00 70.14 C ATOM 1055 O LYS A 70 16.507 -22.250 -4.720 1.00 13.14 O ATOM 1056 CB LYS A 70 15.818 -23.539 -1.911 1.00 35.01 C ATOM 1057 CG LYS A 70 15.713 -22.963 -0.510 1.00 4.54 C ATOM 1058 CD LYS A 70 14.691 -23.713 0.328 1.00 64.13 C ATOM 1059 CE LYS A 70 14.747 -23.289 1.787 1.00 20.03 C ATOM 1060 NZ LYS A 70 15.385 -24.328 2.643 1.00 41.43 N ATOM 0 H LYS A 70 13.474 -24.173 -2.496 1.00 71.31 H new ATOM 0 HA LYS A 70 14.984 -21.723 -2.705 1.00 60.11 H new ATOM 0 HB2 LYS A 70 15.503 -24.582 -1.890 1.00 35.01 H new ATOM 0 HB3 LYS A 70 16.862 -23.527 -2.223 1.00 35.01 H new ATOM 0 HG2 LYS A 70 16.687 -23.008 -0.023 1.00 4.54 H new ATOM 0 HG3 LYS A 70 15.435 -21.911 -0.568 1.00 4.54 H new ATOM 0 HD2 LYS A 70 13.691 -23.531 -0.067 1.00 64.13 H new ATOM 0 HD3 LYS A 70 14.873 -24.785 0.252 1.00 64.13 H new ATOM 0 HE2 LYS A 70 15.304 -22.356 1.873 1.00 20.03 H new ATOM 0 HE3 LYS A 70 13.737 -23.092 2.147 1.00 20.03 H new ATOM 0 HZ1 LYS A 70 16.036 -23.873 3.314 1.00 41.43 H new ATOM 0 HZ2 LYS A 70 14.651 -24.843 3.169 1.00 41.43 H new ATOM 0 HZ3 LYS A 70 15.914 -24.994 2.044 1.00 41.43 H new ATOM 1074 N GLN A 71 15.059 -23.934 -5.083 1.00 21.45 N ATOM 1075 CA GLN A 71 15.548 -24.210 -6.428 1.00 72.04 C ATOM 1076 C GLN A 71 14.785 -23.390 -7.463 1.00 53.12 C ATOM 1077 O GLN A 71 15.358 -22.932 -8.452 1.00 73.21 O ATOM 1078 CB GLN A 71 15.418 -25.701 -6.745 1.00 43.13 C ATOM 1079 CG GLN A 71 16.623 -26.275 -7.473 1.00 24.13 C ATOM 1080 CD GLN A 71 17.314 -27.371 -6.684 1.00 55.41 C ATOM 1081 OE1 GLN A 71 17.884 -27.121 -5.622 1.00 21.42 O ATOM 1082 NE2 GLN A 71 17.265 -28.593 -7.201 1.00 11.20 N ATOM 0 H GLN A 71 14.294 -24.537 -4.780 1.00 21.45 H new ATOM 0 HA GLN A 71 16.600 -23.927 -6.470 1.00 72.04 H new ATOM 0 HB2 GLN A 71 15.270 -26.250 -5.815 1.00 43.13 H new ATOM 0 HB3 GLN A 71 14.527 -25.858 -7.353 1.00 43.13 H new ATOM 0 HG2 GLN A 71 16.305 -26.672 -8.437 1.00 24.13 H new ATOM 0 HG3 GLN A 71 17.335 -25.475 -7.677 1.00 24.13 H new ATOM 0 HE21 GLN A 71 16.781 -28.754 -8.084 1.00 11.20 H new ATOM 0 HE22 GLN A 71 17.711 -29.371 -6.715 1.00 11.20 H new ATOM 1091 N ARG A 72 13.489 -23.209 -7.229 1.00 1.51 N ATOM 1092 CA ARG A 72 12.647 -22.445 -8.142 1.00 2.21 C ATOM 1093 C ARG A 72 12.730 -20.952 -7.838 1.00 1.14 C ATOM 1094 O ARG A 72 12.875 -20.130 -8.743 1.00 71.12 O ATOM 1095 CB ARG A 72 11.195 -22.916 -8.045 1.00 60.12 C ATOM 1096 CG ARG A 72 10.794 -23.882 -9.148 1.00 35.12 C ATOM 1097 CD ARG A 72 9.287 -23.899 -9.352 1.00 33.30 C ATOM 1098 NE ARG A 72 8.780 -25.251 -9.575 1.00 51.30 N ATOM 1099 CZ ARG A 72 9.036 -25.960 -10.668 1.00 72.34 C ATOM 1100 NH1 ARG A 72 9.789 -25.450 -11.633 1.00 13.10 N ATOM 1101 NH2 ARG A 72 8.539 -27.184 -10.798 1.00 54.32 N ATOM 0 H ARG A 72 12.999 -23.581 -6.415 1.00 1.51 H new ATOM 0 HA ARG A 72 13.009 -22.612 -9.156 1.00 2.21 H new ATOM 0 HB2 ARG A 72 11.041 -23.397 -7.079 1.00 60.12 H new ATOM 0 HB3 ARG A 72 10.537 -22.048 -8.077 1.00 60.12 H new ATOM 0 HG2 ARG A 72 11.285 -23.598 -10.079 1.00 35.12 H new ATOM 0 HG3 ARG A 72 11.140 -24.885 -8.898 1.00 35.12 H new ATOM 0 HD2 ARG A 72 8.798 -23.468 -8.478 1.00 33.30 H new ATOM 0 HD3 ARG A 72 9.029 -23.270 -10.204 1.00 33.30 H new ATOM 0 HE ARG A 72 8.198 -25.673 -8.852 1.00 51.30 H new ATOM 0 HH11 ARG A 72 10.174 -24.510 -11.537 1.00 13.10 H new ATOM 0 HH12 ARG A 72 9.984 -25.998 -12.471 1.00 13.10 H new ATOM 0 HH21 ARG A 72 7.960 -27.581 -10.058 1.00 54.32 H new ATOM 0 HH22 ARG A 72 8.736 -27.728 -11.638 1.00 54.32 H new ATOM 1115 N HIS A 73 12.637 -20.608 -6.557 1.00 33.10 N ATOM 1116 CA HIS A 73 12.701 -19.214 -6.133 1.00 41.10 C ATOM 1117 C HIS A 73 13.767 -19.021 -5.059 1.00 23.42 C ATOM 1118 O HIS A 73 13.471 -18.913 -3.869 1.00 4.14 O ATOM 1119 CB HIS A 73 11.341 -18.756 -5.606 1.00 11.30 C ATOM 1120 CG HIS A 73 10.183 -19.293 -6.389 1.00 60.51 C ATOM 1121 ND1 HIS A 73 9.585 -18.600 -7.420 1.00 62.34 N ATOM 1122 CD2 HIS A 73 9.514 -20.466 -6.288 1.00 50.20 C ATOM 1123 CE1 HIS A 73 8.597 -19.322 -7.919 1.00 23.24 C ATOM 1124 NE2 HIS A 73 8.533 -20.459 -7.249 1.00 63.13 N ATOM 0 H HIS A 73 12.517 -21.275 -5.795 1.00 33.10 H new ATOM 0 HA HIS A 73 12.969 -18.609 -6.999 1.00 41.10 H new ATOM 0 HB2 HIS A 73 11.241 -19.066 -4.566 1.00 11.30 H new ATOM 0 HB3 HIS A 73 11.304 -17.667 -5.619 1.00 11.30 H new ATOM 0 HD1 HIS A 73 9.862 -17.674 -7.747 1.00 62.34 H new ATOM 0 HD2 HIS A 73 9.715 -21.259 -5.583 1.00 50.20 H new ATOM 0 HE1 HIS A 73 7.952 -19.032 -8.735 1.00 23.24 H new ATOM 1132 N PRO A 74 15.038 -18.979 -5.486 1.00 51.32 N ATOM 1133 CA PRO A 74 16.173 -18.800 -4.577 1.00 5.43 C ATOM 1134 C PRO A 74 16.224 -17.397 -3.981 1.00 54.31 C ATOM 1135 O PRO A 74 16.577 -17.219 -2.816 1.00 30.52 O ATOM 1136 CB PRO A 74 17.389 -19.043 -5.475 1.00 20.14 C ATOM 1137 CG PRO A 74 16.917 -18.715 -6.849 1.00 35.11 C ATOM 1138 CD PRO A 74 15.464 -19.101 -6.890 1.00 72.35 C ATOM 0 HA PRO A 74 16.117 -19.471 -3.720 1.00 5.43 H new ATOM 0 HB2 PRO A 74 18.229 -18.412 -5.184 1.00 20.14 H new ATOM 0 HB3 PRO A 74 17.729 -20.076 -5.409 1.00 20.14 H new ATOM 0 HG2 PRO A 74 17.045 -17.654 -7.063 1.00 35.11 H new ATOM 0 HG3 PRO A 74 17.488 -19.263 -7.599 1.00 35.11 H new ATOM 0 HD2 PRO A 74 14.891 -18.442 -7.542 1.00 72.35 H new ATOM 0 HD3 PRO A 74 15.328 -20.116 -7.264 1.00 72.35 H new ATOM 1146 N MET A 75 15.867 -16.403 -4.789 1.00 23.15 N ATOM 1147 CA MET A 75 15.870 -15.016 -4.340 1.00 3.44 C ATOM 1148 C MET A 75 14.596 -14.691 -3.567 1.00 74.31 C ATOM 1149 O MET A 75 14.394 -13.558 -3.129 1.00 44.21 O ATOM 1150 CB MET A 75 16.011 -14.071 -5.535 1.00 13.24 C ATOM 1151 CG MET A 75 16.520 -12.688 -5.160 1.00 33.41 C ATOM 1152 SD MET A 75 15.822 -11.387 -6.195 1.00 64.21 S ATOM 1153 CE MET A 75 14.218 -11.168 -5.429 1.00 4.13 C ATOM 0 H MET A 75 15.572 -16.533 -5.757 1.00 23.15 H new ATOM 0 HA MET A 75 16.722 -14.878 -3.674 1.00 3.44 H new ATOM 0 HB2 MET A 75 16.692 -14.515 -6.261 1.00 13.24 H new ATOM 0 HB3 MET A 75 15.043 -13.972 -6.026 1.00 13.24 H new ATOM 0 HG2 MET A 75 16.277 -12.486 -4.117 1.00 33.41 H new ATOM 0 HG3 MET A 75 17.607 -12.670 -5.244 1.00 33.41 H new ATOM 0 HE1 MET A 75 13.665 -10.393 -5.959 1.00 4.13 H new ATOM 0 HE2 MET A 75 13.663 -12.105 -5.473 1.00 4.13 H new ATOM 0 HE3 MET A 75 14.349 -10.873 -4.388 1.00 4.13 H new ATOM 1163 N LEU A 76 13.738 -15.692 -3.404 1.00 34.24 N ATOM 1164 CA LEU A 76 12.481 -15.513 -2.684 1.00 24.22 C ATOM 1165 C LEU A 76 12.628 -15.925 -1.222 1.00 73.35 C ATOM 1166 O LEU A 76 12.785 -17.102 -0.897 1.00 22.14 O ATOM 1167 CB LEU A 76 11.370 -16.329 -3.347 1.00 2.02 C ATOM 1168 CG LEU A 76 10.082 -16.489 -2.539 1.00 54.32 C ATOM 1169 CD1 LEU A 76 9.382 -15.148 -2.379 1.00 4.30 C ATOM 1170 CD2 LEU A 76 9.157 -17.498 -3.204 1.00 61.11 C ATOM 0 H LEU A 76 13.889 -16.636 -3.760 1.00 34.24 H new ATOM 0 HA LEU A 76 12.217 -14.456 -2.720 1.00 24.22 H new ATOM 0 HB2 LEU A 76 11.122 -15.861 -4.300 1.00 2.02 H new ATOM 0 HB3 LEU A 76 11.760 -17.322 -3.572 1.00 2.02 H new ATOM 0 HG LEU A 76 10.342 -16.861 -1.548 1.00 54.32 H new ATOM 0 HD11 LEU A 76 8.467 -15.282 -1.801 1.00 4.30 H new ATOM 0 HD12 LEU A 76 10.041 -14.453 -1.859 1.00 4.30 H new ATOM 0 HD13 LEU A 76 9.135 -14.747 -3.362 1.00 4.30 H new ATOM 0 HD21 LEU A 76 8.245 -17.599 -2.615 1.00 61.11 H new ATOM 0 HD22 LEU A 76 8.905 -17.154 -4.207 1.00 61.11 H new ATOM 0 HD23 LEU A 76 9.657 -18.464 -3.267 1.00 61.11 H new ATOM 1182 N PRO A 77 12.573 -14.935 -0.320 1.00 14.23 N ATOM 1183 CA PRO A 77 12.694 -15.170 1.122 1.00 21.21 C ATOM 1184 C PRO A 77 11.480 -15.893 1.696 1.00 40.22 C ATOM 1185 O PRO A 77 10.355 -15.399 1.615 1.00 43.21 O ATOM 1186 CB PRO A 77 12.800 -13.758 1.704 1.00 25.52 C ATOM 1187 CG PRO A 77 12.123 -12.885 0.706 1.00 42.15 C ATOM 1188 CD PRO A 77 12.387 -13.509 -0.637 1.00 12.11 C ATOM 0 HA PRO A 77 13.544 -15.809 1.361 1.00 21.21 H new ATOM 0 HB2 PRO A 77 12.316 -13.694 2.679 1.00 25.52 H new ATOM 0 HB3 PRO A 77 13.840 -13.465 1.845 1.00 25.52 H new ATOM 0 HG2 PRO A 77 11.053 -12.823 0.904 1.00 42.15 H new ATOM 0 HG3 PRO A 77 12.514 -11.868 0.748 1.00 42.15 H new ATOM 0 HD2 PRO A 77 11.554 -13.355 -1.322 1.00 12.11 H new ATOM 0 HD3 PRO A 77 13.272 -13.084 -1.111 1.00 12.11 H new ATOM 1196 N VAL A 78 11.715 -17.066 2.276 1.00 13.51 N ATOM 1197 CA VAL A 78 10.640 -17.856 2.865 1.00 2.31 C ATOM 1198 C VAL A 78 10.808 -17.971 4.376 1.00 72.41 C ATOM 1199 O VAL A 78 11.893 -17.741 4.909 1.00 24.45 O ATOM 1200 CB VAL A 78 10.584 -19.269 2.256 1.00 63.30 C ATOM 1201 CG1 VAL A 78 9.260 -19.941 2.586 1.00 23.24 C ATOM 1202 CG2 VAL A 78 10.800 -19.210 0.751 1.00 5.44 C ATOM 0 H VAL A 78 12.640 -17.490 2.351 1.00 13.51 H new ATOM 0 HA VAL A 78 9.707 -17.337 2.645 1.00 2.31 H new ATOM 0 HB VAL A 78 11.386 -19.865 2.692 1.00 63.30 H new ATOM 0 HG11 VAL A 78 9.239 -20.939 2.147 1.00 23.24 H new ATOM 0 HG12 VAL A 78 9.151 -20.018 3.668 1.00 23.24 H new ATOM 0 HG13 VAL A 78 8.440 -19.349 2.180 1.00 23.24 H new ATOM 0 HG21 VAL A 78 10.757 -20.218 0.338 1.00 5.44 H new ATOM 0 HG22 VAL A 78 10.022 -18.597 0.295 1.00 5.44 H new ATOM 0 HG23 VAL A 78 11.776 -18.773 0.540 1.00 5.44 H new ATOM 1212 N ILE A 79 9.726 -18.330 5.060 1.00 44.32 N ATOM 1213 CA ILE A 79 9.754 -18.478 6.510 1.00 43.34 C ATOM 1214 C ILE A 79 9.065 -19.767 6.944 1.00 12.50 C ATOM 1215 O ILE A 79 8.005 -20.120 6.426 1.00 31.23 O ATOM 1216 CB ILE A 79 9.077 -17.285 7.210 1.00 21.14 C ATOM 1217 CG1 ILE A 79 9.604 -15.966 6.643 1.00 41.43 C ATOM 1218 CG2 ILE A 79 9.309 -17.352 8.712 1.00 10.05 C ATOM 1219 CD1 ILE A 79 8.854 -14.751 7.142 1.00 2.50 C ATOM 0 H ILE A 79 8.820 -18.524 4.633 1.00 44.32 H new ATOM 0 HA ILE A 79 10.803 -18.513 6.804 1.00 43.34 H new ATOM 0 HB ILE A 79 8.004 -17.335 7.024 1.00 21.14 H new ATOM 0 HG12 ILE A 79 10.658 -15.864 6.902 1.00 41.43 H new ATOM 0 HG13 ILE A 79 9.545 -15.998 5.555 1.00 41.43 H new ATOM 0 HG21 ILE A 79 8.825 -16.502 9.193 1.00 10.05 H new ATOM 0 HG22 ILE A 79 8.890 -18.279 9.104 1.00 10.05 H new ATOM 0 HG23 ILE A 79 10.379 -17.323 8.916 1.00 10.05 H new ATOM 0 HD11 ILE A 79 9.282 -13.852 6.699 1.00 2.50 H new ATOM 0 HD12 ILE A 79 7.804 -14.830 6.860 1.00 2.50 H new ATOM 0 HD13 ILE A 79 8.935 -14.694 8.228 1.00 2.50 H new ATOM 1231 N ILE A 80 9.672 -20.463 7.898 1.00 22.35 N ATOM 1232 CA ILE A 80 9.115 -21.711 8.405 1.00 60.43 C ATOM 1233 C ILE A 80 8.445 -21.505 9.759 1.00 23.11 C ATOM 1234 O ILE A 80 8.948 -20.766 10.605 1.00 54.42 O ATOM 1235 CB ILE A 80 10.199 -22.797 8.541 1.00 74.55 C ATOM 1236 CG1 ILE A 80 10.593 -23.330 7.162 1.00 63.14 C ATOM 1237 CG2 ILE A 80 9.706 -23.929 9.430 1.00 13.12 C ATOM 1238 CD1 ILE A 80 9.617 -24.341 6.602 1.00 22.22 C ATOM 0 H ILE A 80 10.550 -20.184 8.336 1.00 22.35 H new ATOM 0 HA ILE A 80 8.370 -22.041 7.681 1.00 60.43 H new ATOM 0 HB ILE A 80 11.080 -22.354 9.005 1.00 74.55 H new ATOM 0 HG12 ILE A 80 10.675 -22.493 6.468 1.00 63.14 H new ATOM 0 HG13 ILE A 80 11.580 -23.788 7.227 1.00 63.14 H new ATOM 0 HG21 ILE A 80 10.483 -24.689 9.516 1.00 13.12 H new ATOM 0 HG22 ILE A 80 9.469 -23.538 10.419 1.00 13.12 H new ATOM 0 HG23 ILE A 80 8.812 -24.373 8.992 1.00 13.12 H new ATOM 0 HD11 ILE A 80 9.961 -24.675 5.623 1.00 22.22 H new ATOM 0 HD12 ILE A 80 9.553 -25.196 7.275 1.00 22.22 H new ATOM 0 HD13 ILE A 80 8.633 -23.882 6.504 1.00 22.22 H new ATOM 1250 N MET A 81 7.309 -22.166 9.958 1.00 43.50 N ATOM 1251 CA MET A 81 6.572 -22.057 11.212 1.00 41.25 C ATOM 1252 C MET A 81 6.231 -23.437 11.763 1.00 32.40 C ATOM 1253 O MET A 81 5.705 -24.291 11.048 1.00 51.02 O ATOM 1254 CB MET A 81 5.291 -21.246 11.006 1.00 61.01 C ATOM 1255 CG MET A 81 5.495 -19.745 11.131 1.00 3.11 C ATOM 1256 SD MET A 81 4.275 -18.798 10.201 1.00 11.00 S ATOM 1257 CE MET A 81 2.778 -19.703 10.587 1.00 2.13 C ATOM 0 H MET A 81 6.879 -22.782 9.268 1.00 43.50 H new ATOM 0 HA MET A 81 7.206 -21.543 11.935 1.00 41.25 H new ATOM 0 HB2 MET A 81 4.885 -21.468 10.019 1.00 61.01 H new ATOM 0 HB3 MET A 81 4.547 -21.565 11.736 1.00 61.01 H new ATOM 0 HG2 MET A 81 5.444 -19.462 12.182 1.00 3.11 H new ATOM 0 HG3 MET A 81 6.494 -19.488 10.779 1.00 3.11 H new ATOM 0 HE1 MET A 81 1.935 -19.013 10.622 1.00 2.13 H new ATOM 0 HE2 MET A 81 2.600 -20.456 9.819 1.00 2.13 H new ATOM 0 HE3 MET A 81 2.888 -20.191 11.555 1.00 2.13 H new ATOM 1267 N THR A 82 6.534 -23.651 13.040 1.00 74.42 N ATOM 1268 CA THR A 82 6.260 -24.929 13.686 1.00 4.44 C ATOM 1269 C THR A 82 6.717 -24.917 15.141 1.00 62.43 C ATOM 1270 O THR A 82 5.927 -25.163 16.051 1.00 32.23 O ATOM 1271 CB THR A 82 6.955 -26.090 12.951 1.00 34.50 C ATOM 1272 OG1 THR A 82 6.999 -27.247 13.794 1.00 21.01 O ATOM 1273 CG2 THR A 82 8.367 -25.703 12.538 1.00 34.02 C ATOM 0 H THR A 82 6.969 -22.956 13.647 1.00 74.42 H new ATOM 0 HA THR A 82 5.181 -25.079 13.647 1.00 4.44 H new ATOM 0 HB THR A 82 6.381 -26.317 12.053 1.00 34.50 H new ATOM 0 HG1 THR A 82 6.402 -27.936 13.435 1.00 21.01 H new ATOM 0 HG21 THR A 82 8.837 -26.539 12.021 1.00 34.02 H new ATOM 0 HG22 THR A 82 8.328 -24.841 11.873 1.00 34.02 H new ATOM 0 HG23 THR A 82 8.949 -25.451 13.424 1.00 34.02 H new ATOM 1281 N ALA A 83 7.998 -24.630 15.352 1.00 75.13 N ATOM 1282 CA ALA A 83 8.559 -24.584 16.696 1.00 34.22 C ATOM 1283 C ALA A 83 8.795 -25.989 17.241 1.00 54.22 C ATOM 1284 O ALA A 83 9.934 -26.386 17.489 1.00 75.34 O ATOM 1285 CB ALA A 83 7.640 -23.803 17.625 1.00 65.31 C ATOM 0 H ALA A 83 8.666 -24.426 14.609 1.00 75.13 H new ATOM 0 HA ALA A 83 9.522 -24.076 16.644 1.00 34.22 H new ATOM 0 HB1 ALA A 83 8.071 -23.777 18.626 1.00 65.31 H new ATOM 0 HB2 ALA A 83 7.525 -22.785 17.252 1.00 65.31 H new ATOM 0 HB3 ALA A 83 6.664 -24.287 17.663 1.00 65.31 H new ATOM 1291 N HIS A 84 7.711 -26.737 17.426 1.00 43.41 N ATOM 1292 CA HIS A 84 7.801 -28.098 17.942 1.00 40.02 C ATOM 1293 C HIS A 84 8.634 -28.977 17.013 1.00 13.05 C ATOM 1294 O HIS A 84 9.373 -28.476 16.166 1.00 22.05 O ATOM 1295 CB HIS A 84 6.404 -28.695 18.111 1.00 54.00 C ATOM 1296 CG HIS A 84 5.740 -29.043 16.814 1.00 21.12 C ATOM 1297 ND1 HIS A 84 5.490 -30.341 16.422 1.00 74.04 N ATOM 1298 CD2 HIS A 84 5.273 -28.254 15.819 1.00 52.32 C ATOM 1299 CE1 HIS A 84 4.899 -30.335 15.240 1.00 35.02 C ATOM 1300 NE2 HIS A 84 4.755 -29.081 14.852 1.00 11.44 N ATOM 0 H HIS A 84 6.761 -26.423 17.226 1.00 43.41 H new ATOM 0 HA HIS A 84 8.292 -28.060 18.915 1.00 40.02 H new ATOM 0 HB2 HIS A 84 6.473 -29.592 18.726 1.00 54.00 H new ATOM 0 HB3 HIS A 84 5.778 -27.985 18.651 1.00 54.00 H new ATOM 0 HD2 HIS A 84 5.302 -27.175 15.790 1.00 52.32 H new ATOM 0 HE1 HIS A 84 4.587 -31.208 14.685 1.00 35.02 H new ATOM 0 HE2 HIS A 84 4.329 -28.776 13.977 1.00 11.44 H new ATOM 1308 N SER A 85 8.509 -30.290 17.180 1.00 54.24 N ATOM 1309 CA SER A 85 9.253 -31.238 16.360 1.00 61.43 C ATOM 1310 C SER A 85 9.292 -30.784 14.904 1.00 64.23 C ATOM 1311 O SER A 85 8.351 -31.015 14.145 1.00 51.55 O ATOM 1312 CB SER A 85 8.625 -32.630 16.455 1.00 72.11 C ATOM 1313 OG SER A 85 9.351 -33.458 17.347 1.00 0.51 O ATOM 0 H SER A 85 7.900 -30.721 17.875 1.00 54.24 H new ATOM 0 HA SER A 85 10.275 -31.282 16.736 1.00 61.43 H new ATOM 0 HB2 SER A 85 7.592 -32.544 16.793 1.00 72.11 H new ATOM 0 HB3 SER A 85 8.600 -33.089 15.467 1.00 72.11 H new ATOM 0 HG SER A 85 8.928 -34.341 17.391 1.00 0.51 H new ATOM 1319 N ASP A 86 10.388 -30.138 14.522 1.00 42.32 N ATOM 1320 CA ASP A 86 10.552 -29.651 13.157 1.00 64.31 C ATOM 1321 C ASP A 86 11.754 -28.717 13.054 1.00 61.23 C ATOM 1322 O ASP A 86 12.543 -28.805 12.112 1.00 51.33 O ATOM 1323 CB ASP A 86 9.287 -28.927 12.695 1.00 32.21 C ATOM 1324 CG ASP A 86 8.506 -29.724 11.669 1.00 52.14 C ATOM 1325 OD1 ASP A 86 9.137 -30.292 10.754 1.00 63.42 O ATOM 1326 OD2 ASP A 86 7.263 -29.778 11.780 1.00 72.15 O ATOM 0 H ASP A 86 11.176 -29.939 15.138 1.00 42.32 H new ATOM 0 HA ASP A 86 10.726 -30.511 12.510 1.00 64.31 H new ATOM 0 HB2 ASP A 86 8.651 -28.728 13.557 1.00 32.21 H new ATOM 0 HB3 ASP A 86 9.559 -27.961 12.270 1.00 32.21 H new ATOM 1331 N LEU A 87 11.887 -27.823 14.027 1.00 20.11 N ATOM 1332 CA LEU A 87 12.992 -26.871 14.046 1.00 63.21 C ATOM 1333 C LEU A 87 14.335 -27.595 14.006 1.00 13.51 C ATOM 1334 O LEU A 87 15.231 -27.220 13.249 1.00 34.22 O ATOM 1335 CB LEU A 87 12.912 -25.990 15.294 1.00 75.32 C ATOM 1336 CG LEU A 87 12.374 -24.575 15.082 1.00 1.54 C ATOM 1337 CD1 LEU A 87 11.123 -24.602 14.218 1.00 61.00 C ATOM 1338 CD2 LEU A 87 12.086 -23.908 16.420 1.00 72.22 C ATOM 0 H LEU A 87 11.243 -27.737 14.814 1.00 20.11 H new ATOM 0 HA LEU A 87 12.912 -26.242 13.159 1.00 63.21 H new ATOM 0 HB2 LEU A 87 12.281 -26.491 16.028 1.00 75.32 H new ATOM 0 HB3 LEU A 87 13.909 -25.917 15.728 1.00 75.32 H new ATOM 0 HG LEU A 87 13.135 -23.992 14.564 1.00 1.54 H new ATOM 0 HD11 LEU A 87 10.755 -23.585 14.079 1.00 61.00 H new ATOM 0 HD12 LEU A 87 11.360 -25.038 13.248 1.00 61.00 H new ATOM 0 HD13 LEU A 87 10.356 -25.202 14.708 1.00 61.00 H new ATOM 0 HD21 LEU A 87 11.704 -22.901 16.250 1.00 72.22 H new ATOM 0 HD22 LEU A 87 11.343 -24.491 16.965 1.00 72.22 H new ATOM 0 HD23 LEU A 87 13.004 -23.853 17.004 1.00 72.22 H new ATOM 1350 N ASP A 88 14.466 -28.633 14.824 1.00 14.01 N ATOM 1351 CA ASP A 88 15.697 -29.412 14.880 1.00 4.53 C ATOM 1352 C ASP A 88 16.201 -29.734 13.477 1.00 74.41 C ATOM 1353 O ASP A 88 17.406 -29.766 13.231 1.00 0.20 O ATOM 1354 CB ASP A 88 15.473 -30.705 15.665 1.00 1.13 C ATOM 1355 CG ASP A 88 16.463 -30.872 16.801 1.00 11.44 C ATOM 1356 OD1 ASP A 88 17.605 -30.386 16.668 1.00 4.14 O ATOM 1357 OD2 ASP A 88 16.095 -31.489 17.823 1.00 3.43 O ATOM 0 H ASP A 88 13.734 -28.955 15.458 1.00 14.01 H new ATOM 0 HA ASP A 88 16.453 -28.814 15.389 1.00 4.53 H new ATOM 0 HB2 ASP A 88 14.460 -30.712 16.066 1.00 1.13 H new ATOM 0 HB3 ASP A 88 15.554 -31.556 14.989 1.00 1.13 H new ATOM 1362 N ALA A 89 15.269 -29.975 12.560 1.00 13.23 N ATOM 1363 CA ALA A 89 15.618 -30.294 11.182 1.00 73.53 C ATOM 1364 C ALA A 89 15.783 -29.027 10.349 1.00 24.54 C ATOM 1365 O ALA A 89 16.778 -28.863 9.644 1.00 51.14 O ATOM 1366 CB ALA A 89 14.560 -31.198 10.566 1.00 61.44 C ATOM 0 H ALA A 89 14.267 -29.955 12.747 1.00 13.23 H new ATOM 0 HA ALA A 89 16.573 -30.820 11.188 1.00 73.53 H new ATOM 0 HB1 ALA A 89 14.833 -31.429 9.536 1.00 61.44 H new ATOM 0 HB2 ALA A 89 14.493 -32.123 11.139 1.00 61.44 H new ATOM 0 HB3 ALA A 89 13.595 -30.691 10.581 1.00 61.44 H new ATOM 1372 N ALA A 90 14.802 -28.135 10.437 1.00 64.22 N ATOM 1373 CA ALA A 90 14.841 -26.882 9.693 1.00 72.44 C ATOM 1374 C ALA A 90 16.133 -26.121 9.967 1.00 40.45 C ATOM 1375 O ALA A 90 16.632 -25.396 9.106 1.00 45.41 O ATOM 1376 CB ALA A 90 13.635 -26.023 10.043 1.00 31.30 C ATOM 0 H ALA A 90 13.971 -28.257 11.016 1.00 64.22 H new ATOM 0 HA ALA A 90 14.808 -27.118 8.629 1.00 72.44 H new ATOM 0 HB1 ALA A 90 13.677 -25.090 9.480 1.00 31.30 H new ATOM 0 HB2 ALA A 90 12.720 -26.559 9.789 1.00 31.30 H new ATOM 0 HB3 ALA A 90 13.642 -25.803 11.111 1.00 31.30 H new ATOM 1382 N VAL A 91 16.670 -26.289 11.171 1.00 51.21 N ATOM 1383 CA VAL A 91 17.905 -25.617 11.558 1.00 33.10 C ATOM 1384 C VAL A 91 18.988 -25.807 10.502 1.00 21.24 C ATOM 1385 O VAL A 91 19.516 -24.837 9.959 1.00 64.53 O ATOM 1386 CB VAL A 91 18.425 -26.136 12.911 1.00 24.25 C ATOM 1387 CG1 VAL A 91 19.845 -25.649 13.160 1.00 14.33 C ATOM 1388 CG2 VAL A 91 17.499 -25.705 14.039 1.00 65.22 C ATOM 0 H VAL A 91 16.269 -26.885 11.895 1.00 51.21 H new ATOM 0 HA VAL A 91 17.673 -24.556 11.649 1.00 33.10 H new ATOM 0 HB VAL A 91 18.440 -27.225 12.881 1.00 24.25 H new ATOM 0 HG11 VAL A 91 20.196 -26.026 14.121 1.00 14.33 H new ATOM 0 HG12 VAL A 91 20.499 -26.013 12.367 1.00 14.33 H new ATOM 0 HG13 VAL A 91 19.859 -24.559 13.171 1.00 14.33 H new ATOM 0 HG21 VAL A 91 17.882 -26.081 14.988 1.00 65.22 H new ATOM 0 HG22 VAL A 91 17.449 -24.617 14.073 1.00 65.22 H new ATOM 0 HG23 VAL A 91 16.501 -26.109 13.865 1.00 65.22 H new ATOM 1398 N SER A 92 19.314 -27.064 10.217 1.00 41.34 N ATOM 1399 CA SER A 92 20.337 -27.382 9.228 1.00 45.13 C ATOM 1400 C SER A 92 19.736 -27.455 7.828 1.00 51.45 C ATOM 1401 O SER A 92 20.315 -26.952 6.865 1.00 74.23 O ATOM 1402 CB SER A 92 21.016 -28.709 9.573 1.00 13.04 C ATOM 1403 OG SER A 92 21.809 -29.173 8.494 1.00 15.33 O ATOM 0 H SER A 92 18.885 -27.878 10.657 1.00 41.34 H new ATOM 0 HA SER A 92 21.081 -26.586 9.244 1.00 45.13 H new ATOM 0 HB2 SER A 92 21.639 -28.583 10.458 1.00 13.04 H new ATOM 0 HB3 SER A 92 20.260 -29.454 9.819 1.00 13.04 H new ATOM 0 HG SER A 92 22.233 -30.021 8.741 1.00 15.33 H new ATOM 1409 N ALA A 93 18.570 -28.084 7.723 1.00 22.22 N ATOM 1410 CA ALA A 93 17.888 -28.222 6.442 1.00 2.24 C ATOM 1411 C ALA A 93 17.547 -26.857 5.853 1.00 61.53 C ATOM 1412 O ALA A 93 18.041 -26.490 4.787 1.00 63.15 O ATOM 1413 CB ALA A 93 16.628 -29.060 6.603 1.00 43.44 C ATOM 0 H ALA A 93 18.078 -28.506 8.510 1.00 22.22 H new ATOM 0 HA ALA A 93 18.562 -28.729 5.751 1.00 2.24 H new ATOM 0 HB1 ALA A 93 16.129 -29.155 5.639 1.00 43.44 H new ATOM 0 HB2 ALA A 93 16.894 -30.050 6.973 1.00 43.44 H new ATOM 0 HB3 ALA A 93 15.957 -28.576 7.313 1.00 43.44 H new ATOM 1419 N TYR A 94 16.700 -26.111 6.552 1.00 34.22 N ATOM 1420 CA TYR A 94 16.290 -24.788 6.096 1.00 60.31 C ATOM 1421 C TYR A 94 17.503 -23.895 5.856 1.00 63.02 C ATOM 1422 O TYR A 94 17.424 -22.905 5.130 1.00 53.35 O ATOM 1423 CB TYR A 94 15.359 -24.138 7.120 1.00 32.14 C ATOM 1424 CG TYR A 94 14.392 -23.145 6.516 1.00 43.14 C ATOM 1425 CD1 TYR A 94 13.691 -23.447 5.355 1.00 73.30 C ATOM 1426 CD2 TYR A 94 14.182 -21.904 7.104 1.00 75.11 C ATOM 1427 CE1 TYR A 94 12.807 -22.543 4.798 1.00 1.13 C ATOM 1428 CE2 TYR A 94 13.299 -20.994 6.555 1.00 31.11 C ATOM 1429 CZ TYR A 94 12.614 -21.318 5.402 1.00 3.13 C ATOM 1430 OH TYR A 94 11.735 -20.414 4.852 1.00 43.42 O ATOM 0 H TYR A 94 16.283 -26.400 7.437 1.00 34.22 H new ATOM 0 HA TYR A 94 15.756 -24.906 5.153 1.00 60.31 H new ATOM 0 HB2 TYR A 94 14.794 -24.918 7.631 1.00 32.14 H new ATOM 0 HB3 TYR A 94 15.960 -23.633 7.876 1.00 32.14 H new ATOM 0 HD1 TYR A 94 13.840 -24.405 4.880 1.00 73.30 H new ATOM 0 HD2 TYR A 94 14.718 -21.646 8.005 1.00 75.11 H new ATOM 0 HE1 TYR A 94 12.270 -22.794 3.895 1.00 1.13 H new ATOM 0 HE2 TYR A 94 13.146 -20.034 7.026 1.00 31.11 H new ATOM 0 HH TYR A 94 12.155 -19.529 4.816 1.00 43.42 H new ATOM 1440 N GLN A 95 18.625 -24.254 6.471 1.00 2.03 N ATOM 1441 CA GLN A 95 19.856 -23.485 6.325 1.00 33.51 C ATOM 1442 C GLN A 95 20.424 -23.631 4.917 1.00 1.43 C ATOM 1443 O GLN A 95 21.485 -23.089 4.608 1.00 54.52 O ATOM 1444 CB GLN A 95 20.891 -23.940 7.355 1.00 2.23 C ATOM 1445 CG GLN A 95 21.068 -22.967 8.510 1.00 41.22 C ATOM 1446 CD GLN A 95 21.921 -21.770 8.139 1.00 40.33 C ATOM 1447 OE1 GLN A 95 23.145 -21.869 8.050 1.00 2.30 O ATOM 1448 NE2 GLN A 95 21.277 -20.629 7.919 1.00 24.22 N ATOM 0 H GLN A 95 18.707 -25.072 7.075 1.00 2.03 H new ATOM 0 HA GLN A 95 19.622 -22.434 6.496 1.00 33.51 H new ATOM 0 HB2 GLN A 95 20.595 -24.911 7.751 1.00 2.23 H new ATOM 0 HB3 GLN A 95 21.851 -24.078 6.857 1.00 2.23 H new ATOM 0 HG2 GLN A 95 20.089 -22.622 8.842 1.00 41.22 H new ATOM 0 HG3 GLN A 95 21.525 -23.487 9.352 1.00 41.22 H new ATOM 0 HE21 GLN A 95 20.261 -20.592 8.004 1.00 24.22 H new ATOM 0 HE22 GLN A 95 21.798 -19.790 7.665 1.00 24.22 H new ATOM 1457 N GLN A 96 19.712 -24.366 4.070 1.00 55.44 N ATOM 1458 CA GLN A 96 20.147 -24.582 2.695 1.00 74.41 C ATOM 1459 C GLN A 96 19.937 -23.328 1.854 1.00 45.35 C ATOM 1460 O GLN A 96 19.758 -23.405 0.639 1.00 71.41 O ATOM 1461 CB GLN A 96 19.387 -25.758 2.077 1.00 44.32 C ATOM 1462 CG GLN A 96 19.970 -27.115 2.436 1.00 11.04 C ATOM 1463 CD GLN A 96 21.436 -27.237 2.070 1.00 51.42 C ATOM 1464 OE1 GLN A 96 22.287 -27.455 2.932 1.00 22.41 O ATOM 1465 NE2 GLN A 96 21.739 -27.095 0.785 1.00 73.33 N ATOM 0 H GLN A 96 18.832 -24.822 4.311 1.00 55.44 H new ATOM 0 HA GLN A 96 21.212 -24.813 2.709 1.00 74.41 H new ATOM 0 HB2 GLN A 96 18.348 -25.720 2.404 1.00 44.32 H new ATOM 0 HB3 GLN A 96 19.384 -25.648 0.993 1.00 44.32 H new ATOM 0 HG2 GLN A 96 19.851 -27.285 3.506 1.00 11.04 H new ATOM 0 HG3 GLN A 96 19.406 -27.895 1.925 1.00 11.04 H new ATOM 0 HE21 GLN A 96 21.001 -26.915 0.104 1.00 73.33 H new ATOM 0 HE22 GLN A 96 22.709 -27.166 0.479 1.00 73.33 H new ATOM 1474 N GLY A 97 19.962 -22.171 2.508 1.00 12.35 N ATOM 1475 CA GLY A 97 19.773 -20.916 1.805 1.00 40.33 C ATOM 1476 C GLY A 97 18.423 -20.288 2.091 1.00 5.20 C ATOM 1477 O GLY A 97 17.834 -19.645 1.223 1.00 73.31 O ATOM 0 H GLY A 97 20.110 -22.081 3.513 1.00 12.35 H new ATOM 0 HA2 GLY A 97 20.562 -20.220 2.092 1.00 40.33 H new ATOM 0 HA3 GLY A 97 19.871 -21.085 0.733 1.00 40.33 H new ATOM 1481 N ALA A 98 17.932 -20.475 3.312 1.00 64.03 N ATOM 1482 CA ALA A 98 16.644 -19.922 3.710 1.00 1.30 C ATOM 1483 C ALA A 98 16.817 -18.826 4.756 1.00 1.21 C ATOM 1484 O ALA A 98 17.868 -18.718 5.389 1.00 51.34 O ATOM 1485 CB ALA A 98 15.738 -21.023 4.241 1.00 3.22 C ATOM 0 H ALA A 98 18.407 -21.005 4.042 1.00 64.03 H new ATOM 0 HA ALA A 98 16.180 -19.478 2.830 1.00 1.30 H new ATOM 0 HB1 ALA A 98 14.779 -20.595 4.535 1.00 3.22 H new ATOM 0 HB2 ALA A 98 15.579 -21.770 3.463 1.00 3.22 H new ATOM 0 HB3 ALA A 98 16.206 -21.493 5.106 1.00 3.22 H new ATOM 1491 N PHE A 99 15.780 -18.014 4.933 1.00 31.11 N ATOM 1492 CA PHE A 99 15.818 -16.925 5.902 1.00 41.22 C ATOM 1493 C PHE A 99 15.360 -17.403 7.277 1.00 64.24 C ATOM 1494 O PHE A 99 14.559 -18.331 7.388 1.00 55.33 O ATOM 1495 CB PHE A 99 14.936 -15.766 5.433 1.00 41.21 C ATOM 1496 CG PHE A 99 14.566 -14.811 6.532 1.00 62.30 C ATOM 1497 CD1 PHE A 99 15.458 -13.836 6.950 1.00 33.41 C ATOM 1498 CD2 PHE A 99 13.327 -14.888 7.147 1.00 72.44 C ATOM 1499 CE1 PHE A 99 15.120 -12.957 7.962 1.00 70.53 C ATOM 1500 CE2 PHE A 99 12.983 -14.012 8.159 1.00 44.34 C ATOM 1501 CZ PHE A 99 13.881 -13.044 8.566 1.00 71.41 C ATOM 0 H PHE A 99 14.903 -18.090 4.418 1.00 31.11 H new ATOM 0 HA PHE A 99 16.849 -16.580 5.982 1.00 41.22 H new ATOM 0 HB2 PHE A 99 15.457 -15.219 4.647 1.00 41.21 H new ATOM 0 HB3 PHE A 99 14.025 -16.169 4.991 1.00 41.21 H new ATOM 0 HD1 PHE A 99 16.428 -13.762 6.480 1.00 33.41 H new ATOM 0 HD2 PHE A 99 12.621 -15.642 6.832 1.00 72.44 H new ATOM 0 HE1 PHE A 99 15.824 -12.203 8.280 1.00 70.53 H new ATOM 0 HE2 PHE A 99 12.014 -14.084 8.631 1.00 44.34 H new ATOM 0 HZ PHE A 99 13.614 -12.357 9.355 1.00 71.41 H new ATOM 1511 N ASP A 100 15.876 -16.764 8.321 1.00 42.04 N ATOM 1512 CA ASP A 100 15.521 -17.123 9.689 1.00 40.23 C ATOM 1513 C ASP A 100 14.027 -17.406 9.806 1.00 55.42 C ATOM 1514 O ASP A 100 13.197 -16.536 9.539 1.00 1.55 O ATOM 1515 CB ASP A 100 15.918 -16.003 10.652 1.00 53.22 C ATOM 1516 CG ASP A 100 15.867 -16.441 12.102 1.00 24.51 C ATOM 1517 OD1 ASP A 100 16.100 -17.639 12.368 1.00 73.24 O ATOM 1518 OD2 ASP A 100 15.595 -15.587 12.972 1.00 73.24 O ATOM 0 H ASP A 100 16.542 -15.995 8.246 1.00 42.04 H new ATOM 0 HA ASP A 100 16.066 -18.029 9.954 1.00 40.23 H new ATOM 0 HB2 ASP A 100 16.926 -15.663 10.413 1.00 53.22 H new ATOM 0 HB3 ASP A 100 15.252 -15.152 10.509 1.00 53.22 H new ATOM 1523 N TYR A 101 13.690 -18.627 10.204 1.00 24.34 N ATOM 1524 CA TYR A 101 12.296 -19.026 10.353 1.00 31.12 C ATOM 1525 C TYR A 101 11.708 -18.478 11.650 1.00 52.22 C ATOM 1526 O TYR A 101 12.405 -17.842 12.442 1.00 70.31 O ATOM 1527 CB TYR A 101 12.174 -20.551 10.330 1.00 42.44 C ATOM 1528 CG TYR A 101 13.181 -21.252 11.213 1.00 34.24 C ATOM 1529 CD1 TYR A 101 13.261 -20.966 12.571 1.00 40.23 C ATOM 1530 CD2 TYR A 101 14.052 -22.200 10.691 1.00 33.33 C ATOM 1531 CE1 TYR A 101 14.179 -21.604 13.382 1.00 4.31 C ATOM 1532 CE2 TYR A 101 14.972 -22.844 11.495 1.00 21.14 C ATOM 1533 CZ TYR A 101 15.032 -22.542 12.840 1.00 63.31 C ATOM 1534 OH TYR A 101 15.949 -23.180 13.644 1.00 72.41 O ATOM 0 H TYR A 101 14.364 -19.359 10.430 1.00 24.34 H new ATOM 0 HA TYR A 101 11.735 -18.610 9.516 1.00 31.12 H new ATOM 0 HB2 TYR A 101 11.169 -20.832 10.646 1.00 42.44 H new ATOM 0 HB3 TYR A 101 12.296 -20.901 9.305 1.00 42.44 H new ATOM 0 HD1 TYR A 101 12.594 -20.232 12.999 1.00 40.23 H new ATOM 0 HD2 TYR A 101 14.009 -22.438 9.638 1.00 33.33 H new ATOM 0 HE1 TYR A 101 14.228 -21.369 14.435 1.00 4.31 H new ATOM 0 HE2 TYR A 101 15.641 -23.580 11.073 1.00 21.14 H new ATOM 0 HH TYR A 101 15.594 -23.248 14.555 1.00 72.41 H new ATOM 1544 N LEU A 102 10.420 -18.729 11.860 1.00 4.32 N ATOM 1545 CA LEU A 102 9.736 -18.262 13.061 1.00 42.30 C ATOM 1546 C LEU A 102 8.826 -19.347 13.626 1.00 32.30 C ATOM 1547 O LEU A 102 7.843 -19.753 13.005 1.00 22.11 O ATOM 1548 CB LEU A 102 8.920 -17.006 12.751 1.00 54.13 C ATOM 1549 CG LEU A 102 7.786 -16.685 13.725 1.00 14.00 C ATOM 1550 CD1 LEU A 102 8.339 -16.093 15.012 1.00 21.41 C ATOM 1551 CD2 LEU A 102 6.786 -15.733 13.085 1.00 50.21 C ATOM 0 H LEU A 102 9.829 -19.253 11.215 1.00 4.32 H new ATOM 0 HA LEU A 102 10.491 -18.022 13.809 1.00 42.30 H new ATOM 0 HB2 LEU A 102 9.599 -16.154 12.722 1.00 54.13 H new ATOM 0 HB3 LEU A 102 8.496 -17.110 11.752 1.00 54.13 H new ATOM 0 HG LEU A 102 7.269 -17.613 13.969 1.00 14.00 H new ATOM 0 HD11 LEU A 102 7.517 -15.871 15.693 1.00 21.41 H new ATOM 0 HD12 LEU A 102 9.015 -16.808 15.480 1.00 21.41 H new ATOM 0 HD13 LEU A 102 8.881 -15.175 14.787 1.00 21.41 H new ATOM 0 HD21 LEU A 102 5.986 -15.516 13.793 1.00 50.21 H new ATOM 0 HD22 LEU A 102 7.290 -14.806 12.811 1.00 50.21 H new ATOM 0 HD23 LEU A 102 6.365 -16.194 12.192 1.00 50.21 H new ATOM 1563 N PRO A 103 9.157 -19.829 14.833 1.00 2.43 N ATOM 1564 CA PRO A 103 8.381 -20.872 15.510 1.00 13.52 C ATOM 1565 C PRO A 103 7.018 -20.370 15.976 1.00 41.42 C ATOM 1566 O PRO A 103 6.875 -19.215 16.380 1.00 73.45 O ATOM 1567 CB PRO A 103 9.254 -21.240 16.712 1.00 30.30 C ATOM 1568 CG PRO A 103 10.072 -20.023 16.974 1.00 61.14 C ATOM 1569 CD PRO A 103 10.315 -19.391 15.631 1.00 62.21 C ATOM 0 HA PRO A 103 8.164 -21.712 14.850 1.00 13.52 H new ATOM 0 HB2 PRO A 103 8.646 -21.502 17.578 1.00 30.30 H new ATOM 0 HB3 PRO A 103 9.885 -22.102 16.494 1.00 30.30 H new ATOM 0 HG2 PRO A 103 9.548 -19.337 17.639 1.00 61.14 H new ATOM 0 HG3 PRO A 103 11.013 -20.282 17.459 1.00 61.14 H new ATOM 0 HD2 PRO A 103 10.366 -18.305 15.702 1.00 62.21 H new ATOM 0 HD3 PRO A 103 11.255 -19.727 15.193 1.00 62.21 H new ATOM 1577 N LYS A 104 6.019 -21.244 15.918 1.00 43.14 N ATOM 1578 CA LYS A 104 4.668 -20.891 16.335 1.00 55.11 C ATOM 1579 C LYS A 104 4.256 -21.683 17.572 1.00 53.22 C ATOM 1580 O LYS A 104 4.724 -22.796 17.810 1.00 61.20 O ATOM 1581 CB LYS A 104 3.677 -21.149 15.198 1.00 73.24 C ATOM 1582 CG LYS A 104 3.580 -22.611 14.795 1.00 0.34 C ATOM 1583 CD LYS A 104 2.512 -23.339 15.594 1.00 23.40 C ATOM 1584 CE LYS A 104 1.934 -24.510 14.813 1.00 11.44 C ATOM 1585 NZ LYS A 104 1.423 -25.579 15.715 1.00 63.42 N ATOM 0 H LYS A 104 6.120 -22.203 15.586 1.00 43.14 H new ATOM 0 HA LYS A 104 4.657 -19.830 16.584 1.00 55.11 H new ATOM 0 HB2 LYS A 104 2.690 -20.798 15.501 1.00 73.24 H new ATOM 0 HB3 LYS A 104 3.972 -20.560 14.329 1.00 73.24 H new ATOM 0 HG2 LYS A 104 3.352 -22.682 13.731 1.00 0.34 H new ATOM 0 HG3 LYS A 104 4.544 -23.096 14.947 1.00 0.34 H new ATOM 0 HD2 LYS A 104 2.939 -23.699 16.530 1.00 23.40 H new ATOM 0 HD3 LYS A 104 1.714 -22.644 15.854 1.00 23.40 H new ATOM 0 HE2 LYS A 104 1.125 -24.156 14.174 1.00 11.44 H new ATOM 0 HE3 LYS A 104 2.701 -24.923 14.158 1.00 11.44 H new ATOM 0 HZ1 LYS A 104 1.163 -26.414 15.152 1.00 63.42 H new ATOM 0 HZ2 LYS A 104 2.162 -25.839 16.398 1.00 63.42 H new ATOM 0 HZ3 LYS A 104 0.586 -25.232 16.226 1.00 63.42 H new ATOM 1599 N PRO A 105 3.358 -21.098 18.378 1.00 15.21 N ATOM 1600 CA PRO A 105 2.793 -19.773 18.105 1.00 4.51 C ATOM 1601 C PRO A 105 3.820 -18.659 18.278 1.00 2.43 C ATOM 1602 O PRO A 105 4.965 -18.909 18.656 1.00 61.15 O ATOM 1603 CB PRO A 105 1.680 -19.640 19.147 1.00 54.24 C ATOM 1604 CG PRO A 105 2.094 -20.538 20.261 1.00 52.31 C ATOM 1605 CD PRO A 105 2.824 -21.685 19.619 1.00 51.33 C ATOM 0 HA PRO A 105 2.445 -19.682 17.076 1.00 4.51 H new ATOM 0 HB2 PRO A 105 1.577 -18.609 19.487 1.00 54.24 H new ATOM 0 HB3 PRO A 105 0.715 -19.938 18.736 1.00 54.24 H new ATOM 0 HG2 PRO A 105 2.737 -20.013 20.967 1.00 52.31 H new ATOM 0 HG3 PRO A 105 1.228 -20.891 20.820 1.00 52.31 H new ATOM 0 HD2 PRO A 105 3.621 -22.063 20.260 1.00 51.33 H new ATOM 0 HD3 PRO A 105 2.156 -22.521 19.413 1.00 51.33 H new ATOM 1613 N PHE A 106 3.403 -17.428 18.001 1.00 44.42 N ATOM 1614 CA PHE A 106 4.288 -16.275 18.126 1.00 54.24 C ATOM 1615 C PHE A 106 3.484 -14.981 18.223 1.00 22.23 C ATOM 1616 O PHE A 106 2.253 -15.001 18.229 1.00 63.23 O ATOM 1617 CB PHE A 106 5.243 -16.206 16.932 1.00 32.32 C ATOM 1618 CG PHE A 106 4.544 -16.230 15.603 1.00 71.11 C ATOM 1619 CD1 PHE A 106 3.803 -15.140 15.175 1.00 4.01 C ATOM 1620 CD2 PHE A 106 4.627 -17.343 14.781 1.00 0.25 C ATOM 1621 CE1 PHE A 106 3.159 -15.158 13.952 1.00 23.42 C ATOM 1622 CE2 PHE A 106 3.986 -17.367 13.558 1.00 55.25 C ATOM 1623 CZ PHE A 106 3.250 -16.274 13.143 1.00 52.21 C ATOM 0 H PHE A 106 2.458 -17.203 17.689 1.00 44.42 H new ATOM 0 HA PHE A 106 4.869 -16.392 19.041 1.00 54.24 H new ATOM 0 HB2 PHE A 106 5.837 -15.295 17.005 1.00 32.32 H new ATOM 0 HB3 PHE A 106 5.937 -17.045 16.983 1.00 32.32 H new ATOM 0 HD1 PHE A 106 3.728 -14.266 15.805 1.00 4.01 H new ATOM 0 HD2 PHE A 106 5.199 -18.201 15.101 1.00 0.25 H new ATOM 0 HE1 PHE A 106 2.586 -14.301 13.630 1.00 23.42 H new ATOM 0 HE2 PHE A 106 4.060 -18.240 12.926 1.00 55.25 H new ATOM 0 HZ PHE A 106 2.747 -16.292 12.188 1.00 52.21 H new ATOM 1633 N ASP A 107 4.190 -13.858 18.301 1.00 73.32 N ATOM 1634 CA ASP A 107 3.544 -12.555 18.398 1.00 54.52 C ATOM 1635 C ASP A 107 3.433 -11.899 17.025 1.00 72.44 C ATOM 1636 O ASP A 107 4.442 -11.572 16.399 1.00 33.02 O ATOM 1637 CB ASP A 107 4.323 -11.645 19.349 1.00 12.02 C ATOM 1638 CG ASP A 107 4.854 -12.391 20.557 1.00 4.44 C ATOM 1639 OD1 ASP A 107 4.048 -13.039 21.256 1.00 71.21 O ATOM 1640 OD2 ASP A 107 6.077 -12.325 20.805 1.00 11.21 O ATOM 0 H ASP A 107 5.209 -13.824 18.299 1.00 73.32 H new ATOM 0 HA ASP A 107 2.539 -12.705 18.792 1.00 54.52 H new ATOM 0 HB2 ASP A 107 5.155 -11.190 18.812 1.00 12.02 H new ATOM 0 HB3 ASP A 107 3.676 -10.833 19.682 1.00 12.02 H new ATOM 1645 N ILE A 108 2.201 -11.712 16.562 1.00 64.43 N ATOM 1646 CA ILE A 108 1.959 -11.097 15.263 1.00 45.41 C ATOM 1647 C ILE A 108 2.782 -9.824 15.096 1.00 2.42 C ATOM 1648 O ILE A 108 3.195 -9.480 13.989 1.00 41.44 O ATOM 1649 CB ILE A 108 0.469 -10.760 15.068 1.00 22.41 C ATOM 1650 CG1 ILE A 108 -0.329 -12.033 14.775 1.00 41.51 C ATOM 1651 CG2 ILE A 108 0.297 -9.750 13.944 1.00 12.43 C ATOM 1652 CD1 ILE A 108 -1.774 -11.953 15.213 1.00 35.44 C ATOM 0 H ILE A 108 1.356 -11.978 17.067 1.00 64.43 H new ATOM 0 HA ILE A 108 2.260 -11.824 14.509 1.00 45.41 H new ATOM 0 HB ILE A 108 0.088 -10.318 15.988 1.00 22.41 H new ATOM 0 HG12 ILE A 108 -0.293 -12.237 13.705 1.00 41.51 H new ATOM 0 HG13 ILE A 108 0.148 -12.875 15.276 1.00 41.51 H new ATOM 0 HG21 ILE A 108 -0.761 -9.522 13.818 1.00 12.43 H new ATOM 0 HG22 ILE A 108 0.838 -8.836 14.190 1.00 12.43 H new ATOM 0 HG23 ILE A 108 0.691 -10.167 13.017 1.00 12.43 H new ATOM 0 HD11 ILE A 108 -2.279 -12.889 14.974 1.00 35.44 H new ATOM 0 HD12 ILE A 108 -1.819 -11.780 16.288 1.00 35.44 H new ATOM 0 HD13 ILE A 108 -2.267 -11.132 14.692 1.00 35.44 H new ATOM 1664 N ASP A 109 3.018 -9.129 16.204 1.00 62.12 N ATOM 1665 CA ASP A 109 3.795 -7.895 16.182 1.00 54.14 C ATOM 1666 C ASP A 109 5.185 -8.138 15.603 1.00 50.02 C ATOM 1667 O ASP A 109 5.696 -7.328 14.830 1.00 12.12 O ATOM 1668 CB ASP A 109 3.910 -7.314 17.592 1.00 61.50 C ATOM 1669 CG ASP A 109 5.015 -6.283 17.705 1.00 41.33 C ATOM 1670 OD1 ASP A 109 4.747 -5.093 17.433 1.00 32.33 O ATOM 1671 OD2 ASP A 109 6.148 -6.664 18.065 1.00 31.23 O ATOM 0 H ASP A 109 2.682 -9.399 17.128 1.00 62.12 H new ATOM 0 HA ASP A 109 3.276 -7.179 15.544 1.00 54.14 H new ATOM 0 HB2 ASP A 109 2.961 -6.857 17.872 1.00 61.50 H new ATOM 0 HB3 ASP A 109 4.096 -8.121 18.300 1.00 61.50 H new ATOM 1676 N GLU A 110 5.791 -9.258 15.983 1.00 24.13 N ATOM 1677 CA GLU A 110 7.124 -9.606 15.503 1.00 54.20 C ATOM 1678 C GLU A 110 7.055 -10.229 14.112 1.00 51.45 C ATOM 1679 O GLU A 110 7.978 -10.086 13.310 1.00 55.21 O ATOM 1680 CB GLU A 110 7.804 -10.574 16.474 1.00 55.52 C ATOM 1681 CG GLU A 110 9.219 -10.949 16.068 1.00 53.03 C ATOM 1682 CD GLU A 110 10.162 -9.761 16.073 1.00 74.42 C ATOM 1683 OE1 GLU A 110 10.007 -8.886 16.950 1.00 42.10 O ATOM 1684 OE2 GLU A 110 11.053 -9.707 15.200 1.00 21.22 O ATOM 0 H GLU A 110 5.381 -9.940 16.621 1.00 24.13 H new ATOM 0 HA GLU A 110 7.712 -8.690 15.444 1.00 54.20 H new ATOM 0 HB2 GLU A 110 7.827 -10.124 17.466 1.00 55.52 H new ATOM 0 HB3 GLU A 110 7.204 -11.481 16.549 1.00 55.52 H new ATOM 0 HG2 GLU A 110 9.598 -11.712 16.748 1.00 53.03 H new ATOM 0 HG3 GLU A 110 9.202 -11.390 15.072 1.00 53.03 H new ATOM 1691 N ALA A 111 5.955 -10.920 13.833 1.00 72.30 N ATOM 1692 CA ALA A 111 5.764 -11.564 12.539 1.00 2.21 C ATOM 1693 C ALA A 111 5.609 -10.530 11.429 1.00 0.32 C ATOM 1694 O ALA A 111 6.320 -10.571 10.425 1.00 51.41 O ATOM 1695 CB ALA A 111 4.552 -12.483 12.580 1.00 2.31 C ATOM 0 H ALA A 111 5.182 -11.048 14.486 1.00 72.30 H new ATOM 0 HA ALA A 111 6.651 -12.160 12.323 1.00 2.21 H new ATOM 0 HB1 ALA A 111 4.422 -12.957 11.607 1.00 2.31 H new ATOM 0 HB2 ALA A 111 4.702 -13.250 13.340 1.00 2.31 H new ATOM 0 HB3 ALA A 111 3.662 -11.901 12.822 1.00 2.31 H new ATOM 1701 N VAL A 112 4.674 -9.603 11.616 1.00 24.14 N ATOM 1702 CA VAL A 112 4.426 -8.558 10.631 1.00 42.41 C ATOM 1703 C VAL A 112 5.712 -7.818 10.279 1.00 12.41 C ATOM 1704 O VAL A 112 5.895 -7.375 9.146 1.00 71.04 O ATOM 1705 CB VAL A 112 3.385 -7.543 11.139 1.00 3.45 C ATOM 1706 CG1 VAL A 112 3.413 -6.280 10.292 1.00 13.55 C ATOM 1707 CG2 VAL A 112 1.996 -8.162 11.143 1.00 12.23 C ATOM 0 H VAL A 112 4.076 -9.555 12.441 1.00 24.14 H new ATOM 0 HA VAL A 112 4.037 -9.050 9.739 1.00 42.41 H new ATOM 0 HB VAL A 112 3.639 -7.270 12.163 1.00 3.45 H new ATOM 0 HG11 VAL A 112 2.671 -5.575 10.666 1.00 13.55 H new ATOM 0 HG12 VAL A 112 4.403 -5.828 10.346 1.00 13.55 H new ATOM 0 HG13 VAL A 112 3.185 -6.531 9.256 1.00 13.55 H new ATOM 0 HG21 VAL A 112 1.273 -7.431 11.505 1.00 12.23 H new ATOM 0 HG22 VAL A 112 1.730 -8.465 10.130 1.00 12.23 H new ATOM 0 HG23 VAL A 112 1.988 -9.034 11.797 1.00 12.23 H new ATOM 1717 N ALA A 113 6.600 -7.687 11.259 1.00 21.30 N ATOM 1718 CA ALA A 113 7.870 -7.003 11.052 1.00 24.15 C ATOM 1719 C ALA A 113 8.912 -7.946 10.459 1.00 31.05 C ATOM 1720 O ALA A 113 9.835 -7.513 9.769 1.00 51.45 O ATOM 1721 CB ALA A 113 8.373 -6.416 12.363 1.00 12.22 C ATOM 0 H ALA A 113 6.463 -8.046 12.204 1.00 21.30 H new ATOM 0 HA ALA A 113 7.706 -6.192 10.342 1.00 24.15 H new ATOM 0 HB1 ALA A 113 9.322 -5.908 12.194 1.00 12.22 H new ATOM 0 HB2 ALA A 113 7.643 -5.703 12.746 1.00 12.22 H new ATOM 0 HB3 ALA A 113 8.514 -7.216 13.089 1.00 12.22 H new ATOM 1727 N LEU A 114 8.759 -9.237 10.734 1.00 53.32 N ATOM 1728 CA LEU A 114 9.687 -10.242 10.228 1.00 51.14 C ATOM 1729 C LEU A 114 9.572 -10.376 8.713 1.00 53.44 C ATOM 1730 O LEU A 114 10.574 -10.524 8.014 1.00 44.42 O ATOM 1731 CB LEU A 114 9.418 -11.593 10.892 1.00 23.22 C ATOM 1732 CG LEU A 114 10.293 -12.757 10.425 1.00 43.22 C ATOM 1733 CD1 LEU A 114 11.685 -12.654 11.029 1.00 21.42 C ATOM 1734 CD2 LEU A 114 9.649 -14.087 10.786 1.00 23.35 C ATOM 0 H LEU A 114 8.001 -9.612 11.304 1.00 53.32 H new ATOM 0 HA LEU A 114 10.700 -9.920 10.470 1.00 51.14 H new ATOM 0 HB2 LEU A 114 9.546 -11.478 11.968 1.00 23.22 H new ATOM 0 HB3 LEU A 114 8.375 -11.858 10.721 1.00 23.22 H new ATOM 0 HG LEU A 114 10.386 -12.705 9.340 1.00 43.22 H new ATOM 0 HD11 LEU A 114 12.293 -13.491 10.686 1.00 21.42 H new ATOM 0 HD12 LEU A 114 12.148 -11.717 10.719 1.00 21.42 H new ATOM 0 HD13 LEU A 114 11.613 -12.680 12.116 1.00 21.42 H new ATOM 0 HD21 LEU A 114 10.286 -14.904 10.446 1.00 23.35 H new ATOM 0 HD22 LEU A 114 9.525 -14.150 11.867 1.00 23.35 H new ATOM 0 HD23 LEU A 114 8.674 -14.162 10.304 1.00 23.35 H new ATOM 1746 N VAL A 115 8.342 -10.320 8.210 1.00 21.25 N ATOM 1747 CA VAL A 115 8.096 -10.432 6.778 1.00 54.32 C ATOM 1748 C VAL A 115 8.629 -9.214 6.032 1.00 1.30 C ATOM 1749 O VAL A 115 9.136 -9.330 4.917 1.00 61.01 O ATOM 1750 CB VAL A 115 6.593 -10.587 6.477 1.00 10.52 C ATOM 1751 CG1 VAL A 115 5.803 -9.446 7.101 1.00 42.13 C ATOM 1752 CG2 VAL A 115 6.354 -10.653 4.976 1.00 24.13 C ATOM 0 H VAL A 115 7.501 -10.198 8.774 1.00 21.25 H new ATOM 0 HA VAL A 115 8.622 -11.323 6.435 1.00 54.32 H new ATOM 0 HB VAL A 115 6.246 -11.521 6.918 1.00 10.52 H new ATOM 0 HG11 VAL A 115 4.744 -9.572 6.878 1.00 42.13 H new ATOM 0 HG12 VAL A 115 5.949 -9.450 8.181 1.00 42.13 H new ATOM 0 HG13 VAL A 115 6.149 -8.497 6.692 1.00 42.13 H new ATOM 0 HG21 VAL A 115 5.287 -10.763 4.782 1.00 24.13 H new ATOM 0 HG22 VAL A 115 6.716 -9.737 4.509 1.00 24.13 H new ATOM 0 HG23 VAL A 115 6.888 -11.507 4.560 1.00 24.13 H new ATOM 1762 N GLU A 116 8.511 -8.046 6.656 1.00 1.11 N ATOM 1763 CA GLU A 116 8.982 -6.806 6.050 1.00 13.23 C ATOM 1764 C GLU A 116 10.504 -6.799 5.937 1.00 15.35 C ATOM 1765 O GLU A 116 11.072 -6.080 5.115 1.00 21.22 O ATOM 1766 CB GLU A 116 8.515 -5.602 6.871 1.00 14.11 C ATOM 1767 CG GLU A 116 7.119 -5.122 6.508 1.00 22.43 C ATOM 1768 CD GLU A 116 6.482 -4.296 7.608 1.00 0.33 C ATOM 1769 OE1 GLU A 116 6.832 -3.104 7.734 1.00 52.43 O ATOM 1770 OE2 GLU A 116 5.633 -4.842 8.344 1.00 50.32 O ATOM 0 H GLU A 116 8.094 -7.933 7.580 1.00 1.11 H new ATOM 0 HA GLU A 116 8.560 -6.739 5.047 1.00 13.23 H new ATOM 0 HB2 GLU A 116 8.536 -5.864 7.929 1.00 14.11 H new ATOM 0 HB3 GLU A 116 9.220 -4.782 6.731 1.00 14.11 H new ATOM 0 HG2 GLU A 116 7.169 -4.528 5.595 1.00 22.43 H new ATOM 0 HG3 GLU A 116 6.487 -5.984 6.293 1.00 22.43 H new ATOM 1777 N ARG A 117 11.156 -7.603 6.770 1.00 64.12 N ATOM 1778 CA ARG A 117 12.612 -7.689 6.765 1.00 12.44 C ATOM 1779 C ARG A 117 13.112 -8.375 5.498 1.00 42.13 C ATOM 1780 O ARG A 117 14.214 -8.098 5.024 1.00 74.13 O ATOM 1781 CB ARG A 117 13.103 -8.450 7.998 1.00 10.11 C ATOM 1782 CG ARG A 117 14.580 -8.805 7.946 1.00 71.20 C ATOM 1783 CD ARG A 117 15.275 -8.494 9.262 1.00 14.34 C ATOM 1784 NE ARG A 117 16.704 -8.252 9.083 1.00 33.33 N ATOM 1785 CZ ARG A 117 17.517 -7.888 10.069 1.00 73.22 C ATOM 1786 NH1 ARG A 117 17.044 -7.725 11.297 1.00 52.24 N ATOM 1787 NH2 ARG A 117 18.806 -7.687 9.827 1.00 32.30 N ATOM 0 H ARG A 117 10.700 -8.204 7.457 1.00 64.12 H new ATOM 0 HA ARG A 117 13.011 -6.675 6.789 1.00 12.44 H new ATOM 0 HB2 ARG A 117 12.914 -7.847 8.886 1.00 10.11 H new ATOM 0 HB3 ARG A 117 12.521 -9.366 8.105 1.00 10.11 H new ATOM 0 HG2 ARG A 117 14.693 -9.864 7.715 1.00 71.20 H new ATOM 0 HG3 ARG A 117 15.060 -8.250 7.140 1.00 71.20 H new ATOM 0 HD2 ARG A 117 14.813 -7.618 9.717 1.00 14.34 H new ATOM 0 HD3 ARG A 117 15.132 -9.325 9.953 1.00 14.34 H new ATOM 0 HE ARG A 117 17.100 -8.369 8.150 1.00 33.33 H new ATOM 0 HH11 ARG A 117 16.054 -7.879 11.487 1.00 52.24 H new ATOM 0 HH12 ARG A 117 17.670 -7.446 12.052 1.00 52.24 H new ATOM 0 HH21 ARG A 117 19.173 -7.812 8.884 1.00 32.30 H new ATOM 0 HH22 ARG A 117 19.430 -7.408 10.584 1.00 32.30 H new ATOM 1801 N ALA A 118 12.295 -9.271 4.955 1.00 63.45 N ATOM 1802 CA ALA A 118 12.654 -9.996 3.742 1.00 41.03 C ATOM 1803 C ALA A 118 12.316 -9.183 2.496 1.00 31.34 C ATOM 1804 O ALA A 118 12.997 -9.283 1.475 1.00 11.33 O ATOM 1805 CB ALA A 118 11.948 -11.343 3.703 1.00 33.01 C ATOM 0 H ALA A 118 11.380 -9.512 5.336 1.00 63.45 H new ATOM 0 HA ALA A 118 13.731 -10.163 3.754 1.00 41.03 H new ATOM 0 HB1 ALA A 118 12.226 -11.873 2.792 1.00 33.01 H new ATOM 0 HB2 ALA A 118 12.243 -11.934 4.570 1.00 33.01 H new ATOM 0 HB3 ALA A 118 10.869 -11.189 3.719 1.00 33.01 H new ATOM 1811 N ILE A 119 11.261 -8.381 2.588 1.00 73.03 N ATOM 1812 CA ILE A 119 10.833 -7.551 1.468 1.00 23.41 C ATOM 1813 C ILE A 119 11.616 -6.243 1.423 1.00 72.41 C ATOM 1814 O ILE A 119 11.796 -5.652 0.358 1.00 31.24 O ATOM 1815 CB ILE A 119 9.328 -7.234 1.545 1.00 43.20 C ATOM 1816 CG1 ILE A 119 8.508 -8.522 1.459 1.00 71.55 C ATOM 1817 CG2 ILE A 119 8.933 -6.272 0.435 1.00 75.04 C ATOM 1818 CD1 ILE A 119 7.120 -8.396 2.046 1.00 53.50 C ATOM 0 H ILE A 119 10.687 -8.288 3.426 1.00 73.03 H new ATOM 0 HA ILE A 119 11.029 -8.120 0.560 1.00 23.41 H new ATOM 0 HB ILE A 119 9.120 -6.758 2.503 1.00 43.20 H new ATOM 0 HG12 ILE A 119 8.426 -8.821 0.414 1.00 71.55 H new ATOM 0 HG13 ILE A 119 9.042 -9.318 1.978 1.00 71.55 H new ATOM 0 HG21 ILE A 119 7.866 -6.057 0.502 1.00 75.04 H new ATOM 0 HG22 ILE A 119 9.497 -5.345 0.539 1.00 75.04 H new ATOM 0 HG23 ILE A 119 9.152 -6.723 -0.533 1.00 75.04 H new ATOM 0 HD11 ILE A 119 6.597 -9.347 1.950 1.00 53.50 H new ATOM 0 HD12 ILE A 119 7.194 -8.127 3.100 1.00 53.50 H new ATOM 0 HD13 ILE A 119 6.568 -7.623 1.512 1.00 53.50 H new ATOM 1830 N SER A 120 12.080 -5.798 2.586 1.00 43.42 N ATOM 1831 CA SER A 120 12.843 -4.558 2.680 1.00 55.01 C ATOM 1832 C SER A 120 14.313 -4.798 2.351 1.00 52.03 C ATOM 1833 O SER A 120 15.040 -3.871 1.992 1.00 20.12 O ATOM 1834 CB SER A 120 12.713 -3.960 4.082 1.00 22.22 C ATOM 1835 OG SER A 120 13.174 -2.621 4.110 1.00 2.50 O ATOM 0 H SER A 120 11.941 -6.277 3.476 1.00 43.42 H new ATOM 0 HA SER A 120 12.437 -3.854 1.953 1.00 55.01 H new ATOM 0 HB2 SER A 120 11.671 -3.996 4.401 1.00 22.22 H new ATOM 0 HB3 SER A 120 13.284 -4.559 4.791 1.00 22.22 H new ATOM 0 HG SER A 120 13.079 -2.261 5.017 1.00 2.50 H new ATOM 1841 N HIS A 121 14.744 -6.049 2.475 1.00 30.21 N ATOM 1842 CA HIS A 121 16.128 -6.413 2.191 1.00 54.15 C ATOM 1843 C HIS A 121 16.515 -6.007 0.772 1.00 61.02 C ATOM 1844 O HIS A 121 17.693 -5.806 0.473 1.00 75.43 O ATOM 1845 CB HIS A 121 16.330 -7.917 2.377 1.00 43.14 C ATOM 1846 CG HIS A 121 17.770 -8.322 2.459 1.00 10.50 C ATOM 1847 ND1 HIS A 121 18.501 -8.730 1.363 1.00 32.25 N ATOM 1848 CD2 HIS A 121 18.615 -8.377 3.515 1.00 31.00 C ATOM 1849 CE1 HIS A 121 19.732 -9.021 1.742 1.00 25.33 C ATOM 1850 NE2 HIS A 121 19.828 -8.815 3.043 1.00 10.14 N ATOM 0 H HIS A 121 14.155 -6.828 2.770 1.00 30.21 H new ATOM 0 HA HIS A 121 16.770 -5.879 2.891 1.00 54.15 H new ATOM 0 HB2 HIS A 121 15.819 -8.234 3.286 1.00 43.14 H new ATOM 0 HB3 HIS A 121 15.859 -8.444 1.547 1.00 43.14 H new ATOM 0 HD2 HIS A 121 18.379 -8.124 4.538 1.00 31.00 H new ATOM 0 HE1 HIS A 121 20.526 -9.369 1.097 1.00 25.33 H new ATOM 0 HE2 HIS A 121 20.667 -8.958 3.606 1.00 10.14 H new ATOM 1858 N TYR A 122 15.518 -5.889 -0.098 1.00 11.33 N ATOM 1859 CA TYR A 122 15.755 -5.510 -1.486 1.00 31.14 C ATOM 1860 C TYR A 122 15.364 -4.055 -1.728 1.00 22.32 C ATOM 1861 O TYR A 122 16.109 -3.297 -2.348 1.00 71.01 O ATOM 1862 CB TYR A 122 14.969 -6.424 -2.427 1.00 31.31 C ATOM 1863 CG TYR A 122 15.040 -7.887 -2.050 1.00 44.12 C ATOM 1864 CD1 TYR A 122 16.213 -8.613 -2.222 1.00 54.45 C ATOM 1865 CD2 TYR A 122 13.936 -8.543 -1.521 1.00 13.22 C ATOM 1866 CE1 TYR A 122 16.282 -9.949 -1.880 1.00 70.13 C ATOM 1867 CE2 TYR A 122 13.996 -9.879 -1.174 1.00 45.24 C ATOM 1868 CZ TYR A 122 15.172 -10.578 -1.357 1.00 14.35 C ATOM 1869 OH TYR A 122 15.237 -11.909 -1.013 1.00 41.41 O ATOM 0 H TYR A 122 14.538 -6.050 0.133 1.00 11.33 H new ATOM 0 HA TYR A 122 16.820 -5.620 -1.689 1.00 31.14 H new ATOM 0 HB2 TYR A 122 13.925 -6.110 -2.437 1.00 31.31 H new ATOM 0 HB3 TYR A 122 15.349 -6.300 -3.441 1.00 31.31 H new ATOM 0 HD1 TYR A 122 17.085 -8.124 -2.630 1.00 54.45 H new ATOM 0 HD2 TYR A 122 13.014 -7.999 -1.378 1.00 13.22 H new ATOM 0 HE1 TYR A 122 17.201 -10.499 -2.021 1.00 70.13 H new ATOM 0 HE2 TYR A 122 13.128 -10.373 -0.762 1.00 45.24 H new ATOM 0 HH TYR A 122 15.061 -12.460 -1.804 1.00 41.41 H new ATOM 1879 N GLN A 123 14.191 -3.674 -1.233 1.00 22.24 N ATOM 1880 CA GLN A 123 13.701 -2.311 -1.395 1.00 13.33 C ATOM 1881 C GLN A 123 14.376 -1.368 -0.404 1.00 52.10 C ATOM 1882 O GLN A 123 15.155 -0.499 -0.793 1.00 42.11 O ATOM 1883 CB GLN A 123 12.183 -2.266 -1.206 1.00 64.24 C ATOM 1884 CG GLN A 123 11.434 -1.744 -2.422 1.00 25.30 C ATOM 1885 CD GLN A 123 10.013 -2.264 -2.499 1.00 74.41 C ATOM 1886 OE1 GLN A 123 9.053 -1.500 -2.391 1.00 21.35 O ATOM 1887 NE2 GLN A 123 9.869 -3.571 -2.688 1.00 3.02 N ATOM 0 H GLN A 123 13.563 -4.290 -0.717 1.00 22.24 H new ATOM 0 HA GLN A 123 13.945 -1.982 -2.405 1.00 13.33 H new ATOM 0 HB2 GLN A 123 11.824 -3.268 -0.971 1.00 64.24 H new ATOM 0 HB3 GLN A 123 11.950 -1.635 -0.348 1.00 64.24 H new ATOM 0 HG2 GLN A 123 11.417 -0.655 -2.394 1.00 25.30 H new ATOM 0 HG3 GLN A 123 11.971 -2.031 -3.326 1.00 25.30 H new ATOM 0 HE21 GLN A 123 10.692 -4.168 -2.772 1.00 3.02 H new ATOM 0 HE22 GLN A 123 8.936 -3.978 -2.749 1.00 3.02 H new ATOM 1896 N GLU A 124 14.070 -1.546 0.877 1.00 23.34 N ATOM 1897 CA GLU A 124 14.647 -0.710 1.923 1.00 4.22 C ATOM 1898 C GLU A 124 14.399 0.768 1.637 1.00 51.33 C ATOM 1899 O GLU A 124 13.325 1.294 1.926 1.00 11.52 O ATOM 1900 CB GLU A 124 16.150 -0.971 2.045 1.00 21.31 C ATOM 1901 CG GLU A 124 16.688 -0.786 3.454 1.00 51.20 C ATOM 1902 CD GLU A 124 17.890 0.137 3.503 1.00 40.22 C ATOM 1903 OE1 GLU A 124 17.692 1.365 3.615 1.00 20.12 O ATOM 1904 OE2 GLU A 124 19.029 -0.369 3.429 1.00 63.32 O ATOM 0 H GLU A 124 13.426 -2.261 1.215 1.00 23.34 H new ATOM 0 HA GLU A 124 14.163 -0.967 2.865 1.00 4.22 H new ATOM 0 HB2 GLU A 124 16.361 -1.988 1.715 1.00 21.31 H new ATOM 0 HB3 GLU A 124 16.683 -0.300 1.371 1.00 21.31 H new ATOM 0 HG2 GLU A 124 15.900 -0.384 4.090 1.00 51.20 H new ATOM 0 HG3 GLU A 124 16.964 -1.758 3.864 1.00 51.20 H new TER 1911 GLU A 124