USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1006 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 85 MET CE :methyl 179:sc= -6.29! (180deg=-5.6!) USER MOD Set 1.2: A 112 MET CE :methyl -91:sc= -2.51 (180deg=-2.24!) USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0.293 USER MOD Set 2.2: A 43 GLN : amide:sc= -1.26 K(o=-0.96,f=-0.36!) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.139 (180deg=-0.708) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.249 (180deg=-0.271) USER MOD Single : A 2 HIS : no HD1:sc= -0.684 K(o=-0.68,f=-3!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.5) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 0.218 (180deg=0.0271) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0644 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -86:sc= -3.61! USER MOD Single : A 29 ASN : amide:sc= 0.0996 K(o=0.1,f=-5.1!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 54 ASN : amide:sc= -0.587 K(o=-0.59,f=-2.9) USER MOD Single : A 57 SER OG : rot -150:sc= -0.59 USER MOD Single : A 58 ASN : amide:sc= -0.0838 K(o=-0.084,f=-3.7!) USER MOD Single : A 64 THR OG1 : rot 141:sc= 0.803 USER MOD Single : A 71 GLN : amide:sc= -0.326! X(o=-0.33!,f=-0.22) USER MOD Single : A 74 THR OG1 : rot 120:sc=-0.000375 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 95 SER OG : rot 84:sc= 0.69 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HE2:sc= -0.923 K(o=-0.92,f=-6.9!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.693 -6.332 7.343 1.00 52.41 N ATOM 2 CA MET A 1 -22.462 -6.837 5.972 1.00 53.23 C ATOM 3 C MET A 1 -21.509 -5.909 5.219 1.00 51.41 C ATOM 4 O MET A 1 -21.068 -6.210 4.108 1.00 31.01 O ATOM 5 CB MET A 1 -23.798 -6.955 5.226 1.00 25.35 C ATOM 6 CG MET A 1 -23.716 -7.762 3.941 1.00 42.44 C ATOM 7 SD MET A 1 -25.307 -7.894 3.096 1.00 52.02 S ATOM 8 CE MET A 1 -26.287 -8.740 4.333 1.00 5.00 C ATOM 0 H1 MET A 1 -23.301 -6.998 7.860 1.00 52.41 H new ATOM 0 H2 MET A 1 -21.782 -6.239 7.837 1.00 52.41 H new ATOM 0 H3 MET A 1 -23.158 -5.403 7.297 1.00 52.41 H new ATOM 0 HA MET A 1 -22.005 -7.825 6.031 1.00 53.23 H new ATOM 0 HB2 MET A 1 -24.532 -7.416 5.887 1.00 25.35 H new ATOM 0 HB3 MET A 1 -24.162 -5.955 4.993 1.00 25.35 H new ATOM 0 HG2 MET A 1 -22.991 -7.298 3.272 1.00 42.44 H new ATOM 0 HG3 MET A 1 -23.346 -8.762 4.168 1.00 42.44 H new ATOM 0 HE1 MET A 1 -27.161 -9.189 3.861 1.00 5.00 H new ATOM 0 HE2 MET A 1 -25.687 -9.520 4.801 1.00 5.00 H new ATOM 0 HE3 MET A 1 -26.611 -8.027 5.091 1.00 5.00 H new ATOM 20 N HIS A 2 -21.175 -4.784 5.843 1.00 22.11 N ATOM 21 CA HIS A 2 -20.289 -3.793 5.242 1.00 34.12 C ATOM 22 C HIS A 2 -18.870 -3.973 5.787 1.00 1.02 C ATOM 23 O HIS A 2 -18.119 -3.012 5.947 1.00 61.54 O ATOM 24 CB HIS A 2 -20.823 -2.386 5.551 1.00 24.03 C ATOM 25 CG HIS A 2 -20.138 -1.276 4.806 1.00 53.31 C ATOM 26 ND1 HIS A 2 -19.436 -0.274 5.437 1.00 23.30 N ATOM 27 CD2 HIS A 2 -20.068 -1.001 3.480 1.00 35.25 C ATOM 28 CE1 HIS A 2 -18.966 0.568 4.540 1.00 62.20 C ATOM 29 NE2 HIS A 2 -19.333 0.151 3.343 1.00 22.22 N ATOM 0 H HIS A 2 -21.508 -4.534 6.774 1.00 22.11 H new ATOM 0 HA HIS A 2 -20.258 -3.926 4.161 1.00 34.12 H new ATOM 0 HB2 HIS A 2 -21.888 -2.358 5.319 1.00 24.03 H new ATOM 0 HB3 HIS A 2 -20.725 -2.202 6.621 1.00 24.03 H new ATOM 0 HD2 HIS A 2 -20.508 -1.580 2.681 1.00 35.25 H new ATOM 0 HE1 HIS A 2 -18.379 1.450 4.749 1.00 62.20 H new ATOM 0 HE2 HIS A 2 -19.108 0.609 2.460 1.00 22.22 H new ATOM 38 N ASP A 3 -18.513 -5.226 6.052 1.00 10.32 N ATOM 39 CA ASP A 3 -17.221 -5.563 6.647 1.00 40.10 C ATOM 40 C ASP A 3 -16.095 -5.407 5.630 1.00 62.44 C ATOM 41 O ASP A 3 -15.799 -6.334 4.884 1.00 74.55 O ATOM 42 CB ASP A 3 -17.238 -7.002 7.185 1.00 2.34 C ATOM 43 CG ASP A 3 -18.359 -7.242 8.178 1.00 43.21 C ATOM 44 OD1 ASP A 3 -19.532 -7.327 7.747 1.00 31.33 O ATOM 45 OD2 ASP A 3 -18.080 -7.341 9.391 1.00 35.05 O ATOM 0 H ASP A 3 -19.107 -6.034 5.862 1.00 10.32 H new ATOM 0 HA ASP A 3 -17.042 -4.874 7.473 1.00 40.10 H new ATOM 0 HB2 ASP A 3 -17.342 -7.696 6.351 1.00 2.34 H new ATOM 0 HB3 ASP A 3 -16.282 -7.218 7.663 1.00 2.34 H new ATOM 50 N ILE A 4 -15.512 -4.208 5.607 1.00 64.14 N ATOM 51 CA ILE A 4 -14.400 -3.817 4.728 1.00 35.35 C ATOM 52 C ILE A 4 -14.084 -2.353 4.989 1.00 1.45 C ATOM 53 O ILE A 4 -14.590 -1.768 5.948 1.00 44.23 O ATOM 54 CB ILE A 4 -14.689 -3.969 3.205 1.00 74.04 C ATOM 55 CG1 ILE A 4 -16.165 -3.724 2.892 1.00 71.45 C ATOM 56 CG2 ILE A 4 -14.229 -5.321 2.679 1.00 41.24 C ATOM 57 CD1 ILE A 4 -16.491 -3.846 1.419 1.00 42.55 C ATOM 0 H ILE A 4 -15.810 -3.451 6.222 1.00 64.14 H new ATOM 0 HA ILE A 4 -13.575 -4.490 4.962 1.00 35.35 H new ATOM 0 HB ILE A 4 -14.110 -3.205 2.687 1.00 74.04 H new ATOM 0 HG12 ILE A 4 -16.771 -4.436 3.452 1.00 71.45 H new ATOM 0 HG13 ILE A 4 -16.442 -2.728 3.238 1.00 71.45 H new ATOM 0 HG21 ILE A 4 -14.447 -5.390 1.613 1.00 41.24 H new ATOM 0 HG22 ILE A 4 -13.156 -5.427 2.837 1.00 41.24 H new ATOM 0 HG23 ILE A 4 -14.754 -6.116 3.209 1.00 41.24 H new ATOM 0 HD11 ILE A 4 -17.554 -3.661 1.265 1.00 42.55 H new ATOM 0 HD12 ILE A 4 -15.910 -3.116 0.856 1.00 42.55 H new ATOM 0 HD13 ILE A 4 -16.244 -4.850 1.074 1.00 42.55 H new ATOM 69 N ASP A 5 -13.257 -1.762 4.147 1.00 74.22 N ATOM 70 CA ASP A 5 -13.011 -0.329 4.211 1.00 60.43 C ATOM 71 C ASP A 5 -13.855 0.359 3.146 1.00 55.21 C ATOM 72 O ASP A 5 -14.123 -0.224 2.093 1.00 44.21 O ATOM 73 CB ASP A 5 -11.526 -0.019 4.009 1.00 62.50 C ATOM 74 CG ASP A 5 -11.202 1.447 4.228 1.00 44.35 C ATOM 75 OD1 ASP A 5 -11.412 1.943 5.352 1.00 22.32 O ATOM 76 OD2 ASP A 5 -10.732 2.106 3.279 1.00 31.03 O ATOM 0 H ASP A 5 -12.744 -2.248 3.412 1.00 74.22 H new ATOM 0 HA ASP A 5 -13.289 0.043 5.197 1.00 60.43 H new ATOM 0 HB2 ASP A 5 -10.935 -0.625 4.696 1.00 62.50 H new ATOM 0 HB3 ASP A 5 -11.233 -0.305 2.999 1.00 62.50 H new ATOM 81 N ASP A 6 -14.298 1.571 3.419 1.00 43.11 N ATOM 82 CA ASP A 6 -15.192 2.268 2.506 1.00 11.21 C ATOM 83 C ASP A 6 -14.523 3.525 1.972 1.00 52.22 C ATOM 84 O ASP A 6 -14.051 4.360 2.746 1.00 60.45 O ATOM 85 CB ASP A 6 -16.502 2.615 3.210 1.00 31.40 C ATOM 86 CG ASP A 6 -17.601 2.968 2.233 1.00 60.12 C ATOM 87 OD1 ASP A 6 -18.166 2.037 1.617 1.00 73.05 O ATOM 88 OD2 ASP A 6 -17.913 4.166 2.084 1.00 43.44 O ATOM 0 H ASP A 6 -14.057 2.094 4.261 1.00 43.11 H new ATOM 0 HA ASP A 6 -15.416 1.612 1.665 1.00 11.21 H new ATOM 0 HB2 ASP A 6 -16.819 1.770 3.821 1.00 31.40 H new ATOM 0 HB3 ASP A 6 -16.337 3.453 3.887 1.00 31.40 H new ATOM 93 N TYR A 7 -14.486 3.658 0.656 1.00 63.50 N ATOM 94 CA TYR A 7 -13.755 4.746 0.023 1.00 52.24 C ATOM 95 C TYR A 7 -14.565 6.043 0.033 1.00 2.12 C ATOM 96 O TYR A 7 -15.719 6.079 -0.395 1.00 23.34 O ATOM 97 CB TYR A 7 -13.359 4.371 -1.418 1.00 14.42 C ATOM 98 CG TYR A 7 -14.511 4.302 -2.404 1.00 43.24 C ATOM 99 CD1 TYR A 7 -15.361 3.204 -2.442 1.00 25.43 C ATOM 100 CD2 TYR A 7 -14.740 5.340 -3.303 1.00 32.34 C ATOM 101 CE1 TYR A 7 -16.406 3.142 -3.344 1.00 73.15 C ATOM 102 CE2 TYR A 7 -15.781 5.284 -4.209 1.00 55.21 C ATOM 103 CZ TYR A 7 -16.613 4.184 -4.226 1.00 14.12 C ATOM 104 OH TYR A 7 -17.649 4.122 -5.132 1.00 44.13 O ATOM 0 H TYR A 7 -14.953 3.027 0.005 1.00 63.50 H new ATOM 0 HA TYR A 7 -12.847 4.913 0.602 1.00 52.24 H new ATOM 0 HB2 TYR A 7 -12.634 5.100 -1.780 1.00 14.42 H new ATOM 0 HB3 TYR A 7 -12.857 3.403 -1.401 1.00 14.42 H new ATOM 0 HD1 TYR A 7 -15.203 2.386 -1.755 1.00 25.43 H new ATOM 0 HD2 TYR A 7 -14.092 6.204 -3.292 1.00 32.34 H new ATOM 0 HE1 TYR A 7 -17.059 2.282 -3.359 1.00 73.15 H new ATOM 0 HE2 TYR A 7 -15.943 6.097 -4.901 1.00 55.21 H new ATOM 0 HH TYR A 7 -17.656 4.936 -5.678 1.00 44.13 H new ATOM 114 N PRO A 8 -13.982 7.116 0.578 1.00 71.20 N ATOM 115 CA PRO A 8 -14.535 8.461 0.470 1.00 41.14 C ATOM 116 C PRO A 8 -13.984 9.178 -0.760 1.00 30.22 C ATOM 117 O PRO A 8 -14.405 10.290 -1.090 1.00 11.10 O ATOM 118 CB PRO A 8 -14.049 9.128 1.754 1.00 52.43 C ATOM 119 CG PRO A 8 -12.721 8.501 2.028 1.00 34.04 C ATOM 120 CD PRO A 8 -12.749 7.105 1.387 1.00 65.04 C ATOM 0 HA PRO A 8 -15.619 8.477 0.358 1.00 41.14 H new ATOM 0 HB2 PRO A 8 -13.959 10.207 1.630 1.00 52.43 H new ATOM 0 HB3 PRO A 8 -14.744 8.958 2.576 1.00 52.43 H new ATOM 0 HG2 PRO A 8 -11.915 9.103 1.608 1.00 34.04 H new ATOM 0 HG3 PRO A 8 -12.541 8.430 3.101 1.00 34.04 H new ATOM 0 HD2 PRO A 8 -11.867 6.930 0.771 1.00 65.04 H new ATOM 0 HD3 PRO A 8 -12.772 6.318 2.141 1.00 65.04 H new ATOM 128 N GLN A 9 -13.034 8.510 -1.421 1.00 1.14 N ATOM 129 CA GLN A 9 -12.363 9.020 -2.612 1.00 21.22 C ATOM 130 C GLN A 9 -11.519 10.249 -2.268 1.00 3.13 C ATOM 131 O GLN A 9 -11.545 10.743 -1.139 1.00 63.13 O ATOM 132 CB GLN A 9 -13.376 9.324 -3.726 1.00 62.50 C ATOM 133 CG GLN A 9 -12.791 9.256 -5.135 1.00 25.24 C ATOM 134 CD GLN A 9 -12.033 7.961 -5.391 1.00 30.21 C ATOM 135 OE1 GLN A 9 -12.619 6.956 -5.781 1.00 22.13 O ATOM 136 NE2 GLN A 9 -10.717 7.984 -5.205 1.00 51.40 N ATOM 0 H GLN A 9 -12.707 7.587 -1.137 1.00 1.14 H new ATOM 0 HA GLN A 9 -11.690 8.248 -2.986 1.00 21.22 H new ATOM 0 HB2 GLN A 9 -14.203 8.618 -3.653 1.00 62.50 H new ATOM 0 HB3 GLN A 9 -13.791 10.319 -3.564 1.00 62.50 H new ATOM 0 HG2 GLN A 9 -13.596 9.352 -5.864 1.00 25.24 H new ATOM 0 HG3 GLN A 9 -12.120 10.102 -5.287 1.00 25.24 H new ATOM 0 HE21 GLN A 9 -10.263 8.837 -4.880 1.00 51.40 H new ATOM 0 HE22 GLN A 9 -10.161 7.148 -5.388 1.00 51.40 H new ATOM 145 N ALA A 10 -10.755 10.722 -3.236 1.00 63.23 N ATOM 146 CA ALA A 10 -9.836 11.824 -3.034 1.00 71.03 C ATOM 147 C ALA A 10 -9.370 12.349 -4.377 1.00 75.34 C ATOM 148 O ALA A 10 -9.901 11.948 -5.416 1.00 53.12 O ATOM 149 CB ALA A 10 -8.643 11.379 -2.198 1.00 3.43 C ATOM 0 H ALA A 10 -10.755 10.351 -4.186 1.00 63.23 H new ATOM 0 HA ALA A 10 -10.351 12.620 -2.496 1.00 71.03 H new ATOM 0 HB1 ALA A 10 -7.964 12.220 -2.057 1.00 3.43 H new ATOM 0 HB2 ALA A 10 -8.990 11.026 -1.227 1.00 3.43 H new ATOM 0 HB3 ALA A 10 -8.120 10.572 -2.711 1.00 3.43 H new ATOM 155 N LYS A 11 -8.392 13.241 -4.353 1.00 10.11 N ATOM 156 CA LYS A 11 -7.777 13.732 -5.574 1.00 45.40 C ATOM 157 C LYS A 11 -7.245 12.562 -6.384 1.00 33.21 C ATOM 158 O LYS A 11 -6.822 11.556 -5.824 1.00 53.42 O ATOM 159 CB LYS A 11 -6.656 14.719 -5.247 1.00 14.45 C ATOM 160 CG LYS A 11 -7.151 15.943 -4.491 1.00 1.22 C ATOM 161 CD LYS A 11 -6.016 16.885 -4.123 1.00 52.32 C ATOM 162 CE LYS A 11 -5.005 16.213 -3.209 1.00 34.44 C ATOM 163 NZ LYS A 11 -3.947 17.158 -2.765 1.00 73.52 N ATOM 0 H LYS A 11 -8.007 13.640 -3.497 1.00 10.11 H new ATOM 0 HA LYS A 11 -8.526 14.257 -6.166 1.00 45.40 H new ATOM 0 HB2 LYS A 11 -5.895 14.214 -4.653 1.00 14.45 H new ATOM 0 HB3 LYS A 11 -6.177 15.038 -6.173 1.00 14.45 H new ATOM 0 HG2 LYS A 11 -7.880 16.476 -5.102 1.00 1.22 H new ATOM 0 HG3 LYS A 11 -7.666 15.625 -3.585 1.00 1.22 H new ATOM 0 HD2 LYS A 11 -5.517 17.226 -5.030 1.00 52.32 H new ATOM 0 HD3 LYS A 11 -6.421 17.769 -3.631 1.00 52.32 H new ATOM 0 HE2 LYS A 11 -5.518 15.806 -2.337 1.00 34.44 H new ATOM 0 HE3 LYS A 11 -4.546 15.373 -3.730 1.00 34.44 H new ATOM 0 HZ1 LYS A 11 -3.605 16.879 -1.823 1.00 73.52 H new ATOM 0 HZ2 LYS A 11 -3.157 17.136 -3.441 1.00 73.52 H new ATOM 0 HZ3 LYS A 11 -4.338 18.121 -2.720 1.00 73.52 H new ATOM 177 N ARG A 12 -7.295 12.680 -7.696 1.00 41.51 N ATOM 178 CA ARG A 12 -6.920 11.576 -8.568 1.00 55.14 C ATOM 179 C ARG A 12 -5.761 11.947 -9.483 1.00 71.42 C ATOM 180 O ARG A 12 -5.258 11.107 -10.226 1.00 4.52 O ATOM 181 CB ARG A 12 -8.128 11.116 -9.387 1.00 21.01 C ATOM 182 CG ARG A 12 -8.925 12.254 -9.999 1.00 63.53 C ATOM 183 CD ARG A 12 -10.125 11.735 -10.767 1.00 12.34 C ATOM 184 NE ARG A 12 -11.016 12.809 -11.197 1.00 33.34 N ATOM 185 CZ ARG A 12 -11.512 12.917 -12.428 1.00 5.02 C ATOM 186 NH1 ARG A 12 -11.082 12.110 -13.393 1.00 1.44 N ATOM 187 NH2 ARG A 12 -12.408 13.853 -12.703 1.00 11.41 N ATOM 0 H ARG A 12 -7.590 13.525 -8.184 1.00 41.51 H new ATOM 0 HA ARG A 12 -6.585 10.753 -7.937 1.00 55.14 H new ATOM 0 HB2 ARG A 12 -7.785 10.456 -10.184 1.00 21.01 H new ATOM 0 HB3 ARG A 12 -8.786 10.528 -8.747 1.00 21.01 H new ATOM 0 HG2 ARG A 12 -9.259 12.931 -9.213 1.00 63.53 H new ATOM 0 HG3 ARG A 12 -8.285 12.831 -10.666 1.00 63.53 H new ATOM 0 HD2 ARG A 12 -9.782 11.179 -11.640 1.00 12.34 H new ATOM 0 HD3 ARG A 12 -10.679 11.035 -10.141 1.00 12.34 H new ATOM 0 HE ARG A 12 -11.274 13.520 -10.513 1.00 33.34 H new ATOM 0 HH11 ARG A 12 -10.371 11.407 -13.191 1.00 1.44 H new ATOM 0 HH12 ARG A 12 -11.463 12.194 -14.335 1.00 1.44 H new ATOM 0 HH21 ARG A 12 -12.719 14.492 -11.971 1.00 11.41 H new ATOM 0 HH22 ARG A 12 -12.787 13.935 -13.646 1.00 11.41 H new ATOM 201 N VAL A 13 -5.338 13.201 -9.428 1.00 24.42 N ATOM 202 CA VAL A 13 -4.197 13.643 -10.220 1.00 33.24 C ATOM 203 C VAL A 13 -3.111 14.273 -9.336 1.00 72.02 C ATOM 204 O VAL A 13 -1.965 13.832 -9.370 1.00 50.12 O ATOM 205 CB VAL A 13 -4.601 14.631 -11.345 1.00 60.32 C ATOM 206 CG1 VAL A 13 -3.401 14.968 -12.218 1.00 51.34 C ATOM 207 CG2 VAL A 13 -5.731 14.063 -12.195 1.00 42.41 C ATOM 0 H VAL A 13 -5.762 13.926 -8.849 1.00 24.42 H new ATOM 0 HA VAL A 13 -3.793 12.748 -10.693 1.00 33.24 H new ATOM 0 HB VAL A 13 -4.958 15.547 -10.873 1.00 60.32 H new ATOM 0 HG11 VAL A 13 -3.705 15.662 -13.001 1.00 51.34 H new ATOM 0 HG12 VAL A 13 -2.624 15.428 -11.607 1.00 51.34 H new ATOM 0 HG13 VAL A 13 -3.014 14.056 -12.672 1.00 51.34 H new ATOM 0 HG21 VAL A 13 -5.993 14.777 -12.976 1.00 42.41 H new ATOM 0 HG22 VAL A 13 -5.408 13.128 -12.652 1.00 42.41 H new ATOM 0 HG23 VAL A 13 -6.601 13.877 -11.566 1.00 42.41 H new ATOM 217 N PRO A 14 -3.438 15.306 -8.520 1.00 1.05 N ATOM 218 CA PRO A 14 -2.461 15.969 -7.668 1.00 13.31 C ATOM 219 C PRO A 14 -2.489 15.425 -6.242 1.00 33.40 C ATOM 220 O PRO A 14 -2.602 16.181 -5.275 1.00 14.14 O ATOM 221 CB PRO A 14 -2.937 17.423 -7.707 1.00 55.11 C ATOM 222 CG PRO A 14 -4.425 17.352 -7.878 1.00 71.23 C ATOM 223 CD PRO A 14 -4.765 15.928 -8.347 1.00 22.42 C ATOM 0 HA PRO A 14 -1.433 15.827 -8.001 1.00 13.31 H new ATOM 0 HB2 PRO A 14 -2.672 17.948 -6.789 1.00 55.11 H new ATOM 0 HB3 PRO A 14 -2.473 17.966 -8.530 1.00 55.11 H new ATOM 0 HG2 PRO A 14 -4.931 17.578 -6.939 1.00 71.23 H new ATOM 0 HG3 PRO A 14 -4.763 18.088 -8.608 1.00 71.23 H new ATOM 0 HD2 PRO A 14 -5.367 15.395 -7.612 1.00 22.42 H new ATOM 0 HD3 PRO A 14 -5.331 15.935 -9.278 1.00 22.42 H new ATOM 231 N GLY A 15 -2.385 14.113 -6.114 1.00 71.51 N ATOM 232 CA GLY A 15 -2.439 13.497 -4.805 1.00 64.14 C ATOM 233 C GLY A 15 -3.519 12.443 -4.718 1.00 11.22 C ATOM 234 O GLY A 15 -4.468 12.573 -3.945 1.00 22.51 O ATOM 0 H GLY A 15 -2.264 13.463 -6.891 1.00 71.51 H new ATOM 0 HA2 GLY A 15 -1.473 13.046 -4.577 1.00 64.14 H new ATOM 0 HA3 GLY A 15 -2.619 14.263 -4.051 1.00 64.14 H new ATOM 238 N LEU A 16 -3.371 11.408 -5.523 1.00 41.13 N ATOM 239 CA LEU A 16 -4.318 10.307 -5.553 1.00 45.25 C ATOM 240 C LEU A 16 -3.977 9.291 -4.475 1.00 45.35 C ATOM 241 O LEU A 16 -2.827 9.173 -4.068 1.00 33.13 O ATOM 242 CB LEU A 16 -4.302 9.652 -6.942 1.00 33.24 C ATOM 243 CG LEU A 16 -4.972 8.276 -7.047 1.00 75.40 C ATOM 244 CD1 LEU A 16 -6.443 8.354 -6.682 1.00 4.31 C ATOM 245 CD2 LEU A 16 -4.799 7.705 -8.446 1.00 50.42 C ATOM 0 H LEU A 16 -2.593 11.306 -6.174 1.00 41.13 H new ATOM 0 HA LEU A 16 -5.320 10.688 -5.356 1.00 45.25 H new ATOM 0 HB2 LEU A 16 -4.791 10.326 -7.645 1.00 33.24 H new ATOM 0 HB3 LEU A 16 -3.265 9.554 -7.263 1.00 33.24 H new ATOM 0 HG LEU A 16 -4.485 7.609 -6.336 1.00 75.40 H new ATOM 0 HD11 LEU A 16 -6.892 7.364 -6.766 1.00 4.31 H new ATOM 0 HD12 LEU A 16 -6.545 8.714 -5.658 1.00 4.31 H new ATOM 0 HD13 LEU A 16 -6.950 9.041 -7.360 1.00 4.31 H new ATOM 0 HD21 LEU A 16 -5.280 6.729 -8.503 1.00 50.42 H new ATOM 0 HD22 LEU A 16 -5.256 8.377 -9.172 1.00 50.42 H new ATOM 0 HD23 LEU A 16 -3.737 7.599 -8.667 1.00 50.42 H new ATOM 257 N VAL A 17 -4.978 8.568 -4.005 1.00 42.11 N ATOM 258 CA VAL A 17 -4.757 7.552 -3.002 1.00 43.42 C ATOM 259 C VAL A 17 -5.798 6.436 -3.091 1.00 2.40 C ATOM 260 O VAL A 17 -6.998 6.688 -3.211 1.00 34.21 O ATOM 261 CB VAL A 17 -4.754 8.152 -1.582 1.00 65.43 C ATOM 262 CG1 VAL A 17 -6.010 8.965 -1.329 1.00 43.41 C ATOM 263 CG2 VAL A 17 -4.598 7.059 -0.544 1.00 64.14 C ATOM 0 H VAL A 17 -5.948 8.668 -4.303 1.00 42.11 H new ATOM 0 HA VAL A 17 -3.775 7.124 -3.201 1.00 43.42 H new ATOM 0 HB VAL A 17 -3.901 8.826 -1.501 1.00 65.43 H new ATOM 0 HG11 VAL A 17 -5.980 9.376 -0.320 1.00 43.41 H new ATOM 0 HG12 VAL A 17 -6.068 9.780 -2.051 1.00 43.41 H new ATOM 0 HG13 VAL A 17 -6.886 8.324 -1.434 1.00 43.41 H new ATOM 0 HG21 VAL A 17 -4.598 7.501 0.452 1.00 64.14 H new ATOM 0 HG22 VAL A 17 -5.426 6.356 -0.629 1.00 64.14 H new ATOM 0 HG23 VAL A 17 -3.657 6.533 -0.708 1.00 64.14 H new ATOM 273 N VAL A 18 -5.314 5.205 -3.053 1.00 61.51 N ATOM 274 CA VAL A 18 -6.170 4.033 -2.968 1.00 5.40 C ATOM 275 C VAL A 18 -5.857 3.296 -1.675 1.00 24.33 C ATOM 276 O VAL A 18 -4.693 3.107 -1.323 1.00 43.01 O ATOM 277 CB VAL A 18 -5.993 3.093 -4.185 1.00 63.32 C ATOM 278 CG1 VAL A 18 -6.798 1.813 -4.019 1.00 74.22 C ATOM 279 CG2 VAL A 18 -6.388 3.809 -5.471 1.00 75.21 C ATOM 0 H VAL A 18 -4.317 4.990 -3.080 1.00 61.51 H new ATOM 0 HA VAL A 18 -7.210 4.360 -2.974 1.00 5.40 H new ATOM 0 HB VAL A 18 -4.940 2.818 -4.245 1.00 63.32 H new ATOM 0 HG11 VAL A 18 -6.651 1.175 -4.891 1.00 74.22 H new ATOM 0 HG12 VAL A 18 -6.465 1.287 -3.124 1.00 74.22 H new ATOM 0 HG13 VAL A 18 -7.856 2.058 -3.923 1.00 74.22 H new ATOM 0 HG21 VAL A 18 -6.258 3.135 -6.318 1.00 75.21 H new ATOM 0 HG22 VAL A 18 -7.432 4.118 -5.410 1.00 75.21 H new ATOM 0 HG23 VAL A 18 -5.757 4.688 -5.607 1.00 75.21 H new ATOM 289 N TYR A 19 -6.892 2.900 -0.962 1.00 42.34 N ATOM 290 CA TYR A 19 -6.727 2.373 0.381 1.00 61.02 C ATOM 291 C TYR A 19 -6.897 0.865 0.395 1.00 32.44 C ATOM 292 O TYR A 19 -7.412 0.281 -0.561 1.00 25.43 O ATOM 293 CB TYR A 19 -7.759 3.000 1.320 1.00 24.45 C ATOM 294 CG TYR A 19 -8.379 4.275 0.792 1.00 1.44 C ATOM 295 CD1 TYR A 19 -9.499 4.232 -0.029 1.00 12.31 C ATOM 296 CD2 TYR A 19 -7.845 5.515 1.108 1.00 72.23 C ATOM 297 CE1 TYR A 19 -10.066 5.387 -0.521 1.00 1.22 C ATOM 298 CE2 TYR A 19 -8.407 6.677 0.620 1.00 4.52 C ATOM 299 CZ TYR A 19 -9.517 6.608 -0.193 1.00 13.42 C ATOM 300 OH TYR A 19 -10.078 7.763 -0.687 1.00 21.30 O ATOM 0 H TYR A 19 -7.858 2.932 -1.289 1.00 42.34 H new ATOM 0 HA TYR A 19 -5.720 2.620 0.718 1.00 61.02 H new ATOM 0 HB2 TYR A 19 -8.550 2.275 1.509 1.00 24.45 H new ATOM 0 HB3 TYR A 19 -7.283 3.209 2.278 1.00 24.45 H new ATOM 0 HD1 TYR A 19 -9.932 3.277 -0.286 1.00 12.31 H new ATOM 0 HD2 TYR A 19 -6.976 5.572 1.746 1.00 72.23 H new ATOM 0 HE1 TYR A 19 -10.935 5.336 -1.160 1.00 1.22 H new ATOM 0 HE2 TYR A 19 -7.979 7.635 0.874 1.00 4.52 H new ATOM 0 HH TYR A 19 -9.573 8.537 -0.361 1.00 21.30 H new ATOM 310 N ARG A 20 -6.448 0.237 1.473 1.00 2.55 N ATOM 311 CA ARG A 20 -6.723 -1.180 1.692 1.00 14.04 C ATOM 312 C ARG A 20 -8.193 -1.418 2.042 1.00 2.22 C ATOM 313 O ARG A 20 -8.995 -0.487 2.089 1.00 53.55 O ATOM 314 CB ARG A 20 -5.822 -1.737 2.802 1.00 51.22 C ATOM 315 CG ARG A 20 -5.685 -0.848 4.039 1.00 33.31 C ATOM 316 CD ARG A 20 -6.987 -0.676 4.818 1.00 14.12 C ATOM 317 NE ARG A 20 -7.762 0.485 4.376 1.00 42.34 N ATOM 318 CZ ARG A 20 -7.548 1.729 4.804 1.00 14.33 C ATOM 319 NH1 ARG A 20 -6.516 1.987 5.596 1.00 4.25 N ATOM 320 NH2 ARG A 20 -8.357 2.712 4.433 1.00 33.23 N ATOM 0 H ARG A 20 -5.895 0.681 2.206 1.00 2.55 H new ATOM 0 HA ARG A 20 -6.508 -1.704 0.761 1.00 14.04 H new ATOM 0 HB2 ARG A 20 -6.213 -2.706 3.113 1.00 51.22 H new ATOM 0 HB3 ARG A 20 -4.829 -1.911 2.388 1.00 51.22 H new ATOM 0 HG2 ARG A 20 -4.930 -1.274 4.700 1.00 33.31 H new ATOM 0 HG3 ARG A 20 -5.323 0.133 3.732 1.00 33.31 H new ATOM 0 HD2 ARG A 20 -7.593 -1.575 4.708 1.00 14.12 H new ATOM 0 HD3 ARG A 20 -6.760 -0.573 5.879 1.00 14.12 H new ATOM 0 HE ARG A 20 -8.511 0.333 3.700 1.00 42.34 H new ATOM 0 HH11 ARG A 20 -5.888 1.234 5.877 1.00 4.25 H new ATOM 0 HH12 ARG A 20 -6.351 2.938 5.925 1.00 4.25 H new ATOM 0 HH21 ARG A 20 -9.147 2.518 3.818 1.00 33.23 H new ATOM 0 HH22 ARG A 20 -8.189 3.662 4.763 1.00 33.23 H new ATOM 334 N TYR A 21 -8.537 -2.668 2.304 1.00 40.24 N ATOM 335 CA TYR A 21 -9.870 -3.010 2.773 1.00 31.44 C ATOM 336 C TYR A 21 -9.777 -3.629 4.158 1.00 44.23 C ATOM 337 O TYR A 21 -9.078 -4.625 4.345 1.00 73.52 O ATOM 338 CB TYR A 21 -10.561 -3.983 1.814 1.00 65.42 C ATOM 339 CG TYR A 21 -10.773 -3.431 0.421 1.00 62.22 C ATOM 340 CD1 TYR A 21 -11.826 -2.566 0.150 1.00 61.02 C ATOM 341 CD2 TYR A 21 -9.922 -3.778 -0.620 1.00 23.23 C ATOM 342 CE1 TYR A 21 -12.023 -2.064 -1.121 1.00 63.00 C ATOM 343 CE2 TYR A 21 -10.115 -3.280 -1.893 1.00 42.53 C ATOM 344 CZ TYR A 21 -11.166 -2.424 -2.139 1.00 41.51 C ATOM 345 OH TYR A 21 -11.361 -1.927 -3.406 1.00 44.50 O ATOM 0 H TYR A 21 -7.909 -3.465 2.199 1.00 40.24 H new ATOM 0 HA TYR A 21 -10.465 -2.098 2.816 1.00 31.44 H new ATOM 0 HB2 TYR A 21 -9.966 -4.894 1.746 1.00 65.42 H new ATOM 0 HB3 TYR A 21 -11.527 -4.265 2.233 1.00 65.42 H new ATOM 0 HD1 TYR A 21 -12.500 -2.282 0.945 1.00 61.02 H new ATOM 0 HD2 TYR A 21 -9.096 -4.448 -0.431 1.00 23.23 H new ATOM 0 HE1 TYR A 21 -12.845 -1.392 -1.317 1.00 63.00 H new ATOM 0 HE2 TYR A 21 -9.445 -3.560 -2.692 1.00 42.53 H new ATOM 0 HH TYR A 21 -10.669 -2.278 -4.005 1.00 44.50 H new ATOM 355 N ASP A 22 -10.468 -3.043 5.130 1.00 53.42 N ATOM 356 CA ASP A 22 -10.407 -3.543 6.497 1.00 62.21 C ATOM 357 C ASP A 22 -11.340 -4.738 6.679 1.00 44.13 C ATOM 358 O ASP A 22 -12.391 -4.645 7.314 1.00 73.21 O ATOM 359 CB ASP A 22 -10.727 -2.441 7.513 1.00 61.32 C ATOM 360 CG ASP A 22 -10.472 -2.887 8.942 1.00 4.34 C ATOM 361 OD1 ASP A 22 -9.367 -3.408 9.222 1.00 73.11 O ATOM 362 OD2 ASP A 22 -11.372 -2.720 9.795 1.00 34.14 O ATOM 0 H ASP A 22 -11.070 -2.230 4.999 1.00 53.42 H new ATOM 0 HA ASP A 22 -9.385 -3.875 6.682 1.00 62.21 H new ATOM 0 HB2 ASP A 22 -10.121 -1.561 7.295 1.00 61.32 H new ATOM 0 HB3 ASP A 22 -11.770 -2.144 7.408 1.00 61.32 H new ATOM 367 N ALA A 23 -10.962 -5.843 6.056 1.00 22.21 N ATOM 368 CA ALA A 23 -11.639 -7.116 6.227 1.00 14.43 C ATOM 369 C ALA A 23 -10.692 -8.250 5.874 1.00 71.21 C ATOM 370 O ALA A 23 -9.981 -8.175 4.877 1.00 44.24 O ATOM 371 CB ALA A 23 -12.873 -7.186 5.357 1.00 24.44 C ATOM 0 H ALA A 23 -10.171 -5.881 5.413 1.00 22.21 H new ATOM 0 HA ALA A 23 -11.946 -7.210 7.268 1.00 14.43 H new ATOM 0 HB1 ALA A 23 -13.365 -8.148 5.500 1.00 24.44 H new ATOM 0 HB2 ALA A 23 -13.558 -6.384 5.631 1.00 24.44 H new ATOM 0 HB3 ALA A 23 -12.587 -7.077 4.311 1.00 24.44 H new ATOM 377 N PRO A 24 -10.646 -9.294 6.711 1.00 5.21 N ATOM 378 CA PRO A 24 -9.731 -10.428 6.525 1.00 51.24 C ATOM 379 C PRO A 24 -9.870 -11.105 5.167 1.00 4.33 C ATOM 380 O PRO A 24 -10.855 -11.796 4.896 1.00 35.11 O ATOM 381 CB PRO A 24 -10.118 -11.399 7.646 1.00 44.21 C ATOM 382 CG PRO A 24 -10.714 -10.529 8.691 1.00 3.54 C ATOM 383 CD PRO A 24 -11.463 -9.445 7.924 1.00 42.04 C ATOM 0 HA PRO A 24 -8.692 -10.099 6.561 1.00 51.24 H new ATOM 0 HB2 PRO A 24 -10.830 -12.147 7.297 1.00 44.21 H new ATOM 0 HB3 PRO A 24 -9.249 -11.938 8.024 1.00 44.21 H new ATOM 0 HG2 PRO A 24 -11.388 -11.093 9.336 1.00 3.54 H new ATOM 0 HG3 PRO A 24 -9.945 -10.099 9.332 1.00 3.54 H new ATOM 0 HD2 PRO A 24 -12.485 -9.745 7.691 1.00 42.04 H new ATOM 0 HD3 PRO A 24 -11.525 -8.516 8.490 1.00 42.04 H new ATOM 391 N LEU A 25 -8.885 -10.883 4.308 1.00 12.22 N ATOM 392 CA LEU A 25 -8.801 -11.598 3.048 1.00 12.21 C ATOM 393 C LEU A 25 -7.581 -12.510 3.055 1.00 72.32 C ATOM 394 O LEU A 25 -7.411 -13.349 2.166 1.00 64.14 O ATOM 395 CB LEU A 25 -8.819 -10.648 1.813 1.00 14.31 C ATOM 396 CG LEU A 25 -7.702 -9.575 1.642 1.00 23.14 C ATOM 397 CD1 LEU A 25 -7.675 -8.573 2.784 1.00 54.41 C ATOM 398 CD2 LEU A 25 -6.328 -10.203 1.458 1.00 43.25 C ATOM 0 H LEU A 25 -8.133 -10.212 4.464 1.00 12.22 H new ATOM 0 HA LEU A 25 -9.695 -12.214 2.950 1.00 12.21 H new ATOM 0 HB2 LEU A 25 -8.806 -11.275 0.921 1.00 14.31 H new ATOM 0 HB3 LEU A 25 -9.775 -10.124 1.821 1.00 14.31 H new ATOM 0 HG LEU A 25 -7.953 -9.031 0.731 1.00 23.14 H new ATOM 0 HD11 LEU A 25 -6.878 -7.849 2.614 1.00 54.41 H new ATOM 0 HD12 LEU A 25 -8.632 -8.054 2.835 1.00 54.41 H new ATOM 0 HD13 LEU A 25 -7.495 -9.096 3.723 1.00 54.41 H new ATOM 0 HD21 LEU A 25 -5.581 -9.417 1.343 1.00 43.25 H new ATOM 0 HD22 LEU A 25 -6.085 -10.809 2.331 1.00 43.25 H new ATOM 0 HD23 LEU A 25 -6.332 -10.833 0.568 1.00 43.25 H new ATOM 410 N CYS A 26 -6.741 -12.332 4.081 1.00 21.50 N ATOM 411 CA CYS A 26 -5.551 -13.156 4.282 1.00 51.20 C ATOM 412 C CYS A 26 -4.569 -12.972 3.123 1.00 71.35 C ATOM 413 O CYS A 26 -3.739 -12.059 3.144 1.00 3.14 O ATOM 414 CB CYS A 26 -5.953 -14.631 4.447 1.00 72.02 C ATOM 415 SG CYS A 26 -4.583 -15.759 4.774 1.00 21.32 S ATOM 0 H CYS A 26 -6.870 -11.613 4.793 1.00 21.50 H new ATOM 0 HA CYS A 26 -5.048 -12.837 5.195 1.00 51.20 H new ATOM 0 HB2 CYS A 26 -6.671 -14.708 5.264 1.00 72.02 H new ATOM 0 HB3 CYS A 26 -6.465 -14.957 3.541 1.00 72.02 H new ATOM 0 HG CYS A 26 -4.059 -16.143 3.648 1.00 21.32 H new ATOM 421 N PHE A 27 -4.677 -13.837 2.121 1.00 55.41 N ATOM 422 CA PHE A 27 -3.938 -13.684 0.874 1.00 11.54 C ATOM 423 C PHE A 27 -4.549 -14.585 -0.189 1.00 14.33 C ATOM 424 O PHE A 27 -3.985 -14.750 -1.270 1.00 62.43 O ATOM 425 CB PHE A 27 -2.453 -14.022 1.052 1.00 41.34 C ATOM 426 CG PHE A 27 -2.171 -15.493 1.221 1.00 51.52 C ATOM 427 CD1 PHE A 27 -2.389 -16.123 2.434 1.00 33.15 C ATOM 428 CD2 PHE A 27 -1.688 -16.245 0.160 1.00 21.45 C ATOM 429 CE1 PHE A 27 -2.136 -17.472 2.586 1.00 12.22 C ATOM 430 CE2 PHE A 27 -1.433 -17.593 0.306 1.00 44.41 C ATOM 431 CZ PHE A 27 -1.657 -18.207 1.521 1.00 42.43 C ATOM 0 H PHE A 27 -5.277 -14.661 2.150 1.00 55.41 H new ATOM 0 HA PHE A 27 -4.006 -12.641 0.564 1.00 11.54 H new ATOM 0 HB2 PHE A 27 -1.902 -13.655 0.186 1.00 41.34 H new ATOM 0 HB3 PHE A 27 -2.072 -13.488 1.922 1.00 41.34 H new ATOM 0 HD1 PHE A 27 -2.762 -15.552 3.272 1.00 33.15 H new ATOM 0 HD2 PHE A 27 -1.509 -15.769 -0.793 1.00 21.45 H new ATOM 0 HE1 PHE A 27 -2.313 -17.951 3.538 1.00 12.22 H new ATOM 0 HE2 PHE A 27 -1.059 -18.166 -0.529 1.00 44.41 H new ATOM 0 HZ PHE A 27 -1.458 -19.262 1.638 1.00 42.43 H new ATOM 441 N ALA A 28 -5.732 -15.117 0.117 1.00 44.10 N ATOM 442 CA ALA A 28 -6.369 -16.149 -0.699 1.00 62.40 C ATOM 443 C ALA A 28 -6.399 -15.773 -2.177 1.00 43.24 C ATOM 444 O ALA A 28 -6.043 -16.573 -3.040 1.00 33.40 O ATOM 445 CB ALA A 28 -7.778 -16.402 -0.192 1.00 31.34 C ATOM 0 H ALA A 28 -6.275 -14.845 0.937 1.00 44.10 H new ATOM 0 HA ALA A 28 -5.776 -17.059 -0.610 1.00 62.40 H new ATOM 0 HB1 ALA A 28 -8.251 -17.172 -0.802 1.00 31.34 H new ATOM 0 HB2 ALA A 28 -7.737 -16.735 0.845 1.00 31.34 H new ATOM 0 HB3 ALA A 28 -8.358 -15.481 -0.255 1.00 31.34 H new ATOM 451 N ASN A 29 -6.822 -14.554 -2.460 1.00 44.14 N ATOM 452 CA ASN A 29 -6.830 -14.043 -3.823 1.00 61.33 C ATOM 453 C ASN A 29 -5.966 -12.792 -3.914 1.00 64.33 C ATOM 454 O ASN A 29 -5.835 -12.198 -4.976 1.00 0.43 O ATOM 455 CB ASN A 29 -8.262 -13.709 -4.259 1.00 51.42 C ATOM 456 CG ASN A 29 -8.902 -12.625 -3.403 1.00 31.31 C ATOM 457 OD1 ASN A 29 -8.602 -12.490 -2.215 1.00 14.34 O ATOM 458 ND2 ASN A 29 -9.788 -11.846 -4.000 1.00 32.42 N ATOM 0 H ASN A 29 -7.166 -13.895 -1.762 1.00 44.14 H new ATOM 0 HA ASN A 29 -6.427 -14.811 -4.484 1.00 61.33 H new ATOM 0 HB2 ASN A 29 -8.254 -13.386 -5.300 1.00 51.42 H new ATOM 0 HB3 ASN A 29 -8.872 -14.611 -4.210 1.00 51.42 H new ATOM 0 HD21 ASN A 29 -10.249 -11.103 -3.475 1.00 32.42 H new ATOM 0 HD22 ASN A 29 -10.010 -11.988 -4.985 1.00 32.42 H new ATOM 465 N ALA A 30 -5.331 -12.450 -2.795 1.00 74.15 N ATOM 466 CA ALA A 30 -4.706 -11.140 -2.613 1.00 11.22 C ATOM 467 C ALA A 30 -3.604 -10.844 -3.622 1.00 62.22 C ATOM 468 O ALA A 30 -3.260 -9.687 -3.831 1.00 33.33 O ATOM 469 CB ALA A 30 -4.153 -11.012 -1.206 1.00 2.54 C ATOM 0 H ALA A 30 -5.235 -13.070 -1.991 1.00 74.15 H new ATOM 0 HA ALA A 30 -5.493 -10.405 -2.780 1.00 11.22 H new ATOM 0 HB1 ALA A 30 -3.691 -10.032 -1.084 1.00 2.54 H new ATOM 0 HB2 ALA A 30 -4.963 -11.123 -0.485 1.00 2.54 H new ATOM 0 HB3 ALA A 30 -3.407 -11.789 -1.036 1.00 2.54 H new ATOM 475 N GLU A 31 -3.046 -11.872 -4.238 1.00 22.02 N ATOM 476 CA GLU A 31 -1.967 -11.677 -5.197 1.00 31.51 C ATOM 477 C GLU A 31 -2.511 -11.051 -6.483 1.00 61.25 C ATOM 478 O GLU A 31 -2.288 -9.858 -6.764 1.00 60.13 O ATOM 479 CB GLU A 31 -1.280 -13.015 -5.481 1.00 43.42 C ATOM 480 CG GLU A 31 -0.015 -12.901 -6.313 1.00 2.21 C ATOM 481 CD GLU A 31 0.690 -14.232 -6.465 1.00 42.51 C ATOM 482 OE1 GLU A 31 1.481 -14.599 -5.566 1.00 32.41 O ATOM 483 OE2 GLU A 31 0.455 -14.923 -7.473 1.00 3.31 O ATOM 0 H GLU A 31 -3.318 -12.844 -4.094 1.00 22.02 H new ATOM 0 HA GLU A 31 -1.228 -10.994 -4.778 1.00 31.51 H new ATOM 0 HB2 GLU A 31 -1.036 -13.494 -4.533 1.00 43.42 H new ATOM 0 HB3 GLU A 31 -1.983 -13.669 -5.997 1.00 43.42 H new ATOM 0 HG2 GLU A 31 -0.265 -12.509 -7.299 1.00 2.21 H new ATOM 0 HG3 GLU A 31 0.661 -12.184 -5.847 1.00 2.21 H new ATOM 490 N ASP A 32 -3.262 -11.842 -7.241 1.00 71.15 N ATOM 491 CA ASP A 32 -3.861 -11.362 -8.480 1.00 23.14 C ATOM 492 C ASP A 32 -4.827 -10.221 -8.192 1.00 54.54 C ATOM 493 O ASP A 32 -4.825 -9.218 -8.891 1.00 71.12 O ATOM 494 CB ASP A 32 -4.586 -12.495 -9.210 1.00 61.41 C ATOM 495 CG ASP A 32 -5.180 -12.054 -10.537 1.00 5.34 C ATOM 496 OD1 ASP A 32 -4.408 -11.773 -11.476 1.00 72.42 O ATOM 497 OD2 ASP A 32 -6.425 -12.010 -10.652 1.00 1.35 O ATOM 0 H ASP A 32 -3.470 -12.816 -7.020 1.00 71.15 H new ATOM 0 HA ASP A 32 -3.062 -10.995 -9.124 1.00 23.14 H new ATOM 0 HB2 ASP A 32 -3.888 -13.314 -9.384 1.00 61.41 H new ATOM 0 HB3 ASP A 32 -5.380 -12.882 -8.572 1.00 61.41 H new ATOM 502 N PHE A 33 -5.621 -10.371 -7.134 1.00 33.14 N ATOM 503 CA PHE A 33 -6.576 -9.342 -6.724 1.00 2.11 C ATOM 504 C PHE A 33 -5.886 -7.998 -6.521 1.00 60.53 C ATOM 505 O PHE A 33 -6.403 -6.962 -6.941 1.00 61.14 O ATOM 506 CB PHE A 33 -7.300 -9.778 -5.441 1.00 64.02 C ATOM 507 CG PHE A 33 -7.739 -8.650 -4.543 1.00 35.14 C ATOM 508 CD1 PHE A 33 -8.851 -7.887 -4.853 1.00 15.10 C ATOM 509 CD2 PHE A 33 -7.031 -8.362 -3.382 1.00 23.32 C ATOM 510 CE1 PHE A 33 -9.250 -6.854 -4.026 1.00 43.30 C ATOM 511 CE2 PHE A 33 -7.426 -7.329 -2.554 1.00 52.31 C ATOM 512 CZ PHE A 33 -8.537 -6.574 -2.876 1.00 51.52 C ATOM 0 H PHE A 33 -5.622 -11.201 -6.541 1.00 33.14 H new ATOM 0 HA PHE A 33 -7.310 -9.220 -7.520 1.00 2.11 H new ATOM 0 HB2 PHE A 33 -8.176 -10.364 -5.718 1.00 64.02 H new ATOM 0 HB3 PHE A 33 -6.641 -10.437 -4.876 1.00 64.02 H new ATOM 0 HD1 PHE A 33 -9.413 -8.101 -5.750 1.00 15.10 H new ATOM 0 HD2 PHE A 33 -6.164 -8.952 -3.125 1.00 23.32 H new ATOM 0 HE1 PHE A 33 -10.119 -6.265 -4.279 1.00 43.30 H new ATOM 0 HE2 PHE A 33 -6.867 -7.112 -1.656 1.00 52.31 H new ATOM 0 HZ PHE A 33 -8.848 -5.766 -2.230 1.00 51.52 H new ATOM 522 N ARG A 34 -4.715 -8.018 -5.892 1.00 44.34 N ATOM 523 CA ARG A 34 -3.995 -6.789 -5.613 1.00 65.34 C ATOM 524 C ARG A 34 -3.639 -6.086 -6.908 1.00 11.03 C ATOM 525 O ARG A 34 -3.918 -4.895 -7.072 1.00 70.02 O ATOM 526 CB ARG A 34 -2.719 -7.057 -4.829 1.00 60.21 C ATOM 527 CG ARG A 34 -2.204 -5.837 -4.098 1.00 74.25 C ATOM 528 CD ARG A 34 -2.970 -5.618 -2.800 1.00 3.43 C ATOM 529 NE ARG A 34 -2.855 -6.777 -1.904 1.00 24.43 N ATOM 530 CZ ARG A 34 -3.123 -6.752 -0.594 1.00 43.24 C ATOM 531 NH1 ARG A 34 -3.592 -5.651 -0.022 1.00 73.51 N ATOM 532 NH2 ARG A 34 -2.939 -7.840 0.145 1.00 41.41 N ATOM 0 H ARG A 34 -4.251 -8.867 -5.570 1.00 44.34 H new ATOM 0 HA ARG A 34 -4.648 -6.156 -5.012 1.00 65.34 H new ATOM 0 HB2 ARG A 34 -2.903 -7.854 -4.109 1.00 60.21 H new ATOM 0 HB3 ARG A 34 -1.949 -7.416 -5.512 1.00 60.21 H new ATOM 0 HG2 ARG A 34 -1.142 -5.958 -3.882 1.00 74.25 H new ATOM 0 HG3 ARG A 34 -2.301 -4.958 -4.735 1.00 74.25 H new ATOM 0 HD2 ARG A 34 -2.589 -4.729 -2.297 1.00 3.43 H new ATOM 0 HD3 ARG A 34 -4.021 -5.432 -3.023 1.00 3.43 H new ATOM 0 HE ARG A 34 -2.550 -7.662 -2.309 1.00 24.43 H new ATOM 0 HH11 ARG A 34 -3.751 -4.814 -0.582 1.00 73.51 H new ATOM 0 HH12 ARG A 34 -3.793 -5.642 0.978 1.00 73.51 H new ATOM 0 HH21 ARG A 34 -2.593 -8.697 -0.286 1.00 41.41 H new ATOM 0 HH22 ARG A 34 -3.144 -7.819 1.144 1.00 41.41 H new ATOM 546 N ARG A 35 -3.025 -6.821 -7.833 1.00 15.24 N ATOM 547 CA ARG A 35 -2.637 -6.217 -9.097 1.00 33.31 C ATOM 548 C ARG A 35 -3.868 -5.856 -9.922 1.00 61.32 C ATOM 549 O ARG A 35 -3.884 -4.832 -10.582 1.00 64.21 O ATOM 550 CB ARG A 35 -1.672 -7.095 -9.908 1.00 63.24 C ATOM 551 CG ARG A 35 -2.217 -8.448 -10.331 1.00 61.21 C ATOM 552 CD ARG A 35 -1.431 -9.005 -11.513 1.00 72.20 C ATOM 553 NE ARG A 35 0.015 -8.976 -11.280 1.00 64.33 N ATOM 554 CZ ARG A 35 0.912 -8.582 -12.186 1.00 4.54 C ATOM 555 NH1 ARG A 35 0.526 -8.240 -13.412 1.00 11.43 N ATOM 556 NH2 ARG A 35 2.203 -8.537 -11.874 1.00 31.12 N ATOM 0 H ARG A 35 -2.792 -7.809 -7.733 1.00 15.24 H new ATOM 0 HA ARG A 35 -2.094 -5.303 -8.854 1.00 33.31 H new ATOM 0 HB2 ARG A 35 -1.374 -6.547 -10.802 1.00 63.24 H new ATOM 0 HB3 ARG A 35 -0.770 -7.255 -9.317 1.00 63.24 H new ATOM 0 HG2 ARG A 35 -2.164 -9.144 -9.494 1.00 61.21 H new ATOM 0 HG3 ARG A 35 -3.269 -8.353 -10.601 1.00 61.21 H new ATOM 0 HD2 ARG A 35 -1.746 -10.031 -11.705 1.00 72.20 H new ATOM 0 HD3 ARG A 35 -1.665 -8.427 -12.407 1.00 72.20 H new ATOM 0 HE ARG A 35 0.358 -9.276 -10.367 1.00 64.33 H new ATOM 0 HH11 ARG A 35 -0.461 -8.278 -13.665 1.00 11.43 H new ATOM 0 HH12 ARG A 35 1.217 -7.940 -14.099 1.00 11.43 H new ATOM 0 HH21 ARG A 35 2.511 -8.804 -10.939 1.00 31.12 H new ATOM 0 HH22 ARG A 35 2.886 -8.235 -12.569 1.00 31.12 H new ATOM 570 N ARG A 36 -4.910 -6.675 -9.861 1.00 3.42 N ATOM 571 CA ARG A 36 -6.150 -6.358 -10.563 1.00 21.24 C ATOM 572 C ARG A 36 -6.603 -4.947 -10.223 1.00 55.25 C ATOM 573 O ARG A 36 -6.723 -4.095 -11.093 1.00 21.24 O ATOM 574 CB ARG A 36 -7.269 -7.333 -10.197 1.00 41.13 C ATOM 575 CG ARG A 36 -7.072 -8.747 -10.711 1.00 63.22 C ATOM 576 CD ARG A 36 -7.023 -8.797 -12.226 1.00 42.42 C ATOM 577 NE ARG A 36 -6.880 -10.166 -12.715 1.00 45.14 N ATOM 578 CZ ARG A 36 -7.154 -10.538 -13.961 1.00 51.32 C ATOM 579 NH1 ARG A 36 -7.557 -9.642 -14.850 1.00 71.13 N ATOM 580 NH2 ARG A 36 -7.009 -11.805 -14.322 1.00 33.33 N ATOM 0 H ARG A 36 -4.924 -7.552 -9.341 1.00 3.42 H new ATOM 0 HA ARG A 36 -5.946 -6.441 -11.631 1.00 21.24 H new ATOM 0 HB2 ARG A 36 -7.363 -7.365 -9.112 1.00 41.13 H new ATOM 0 HB3 ARG A 36 -8.211 -6.947 -10.587 1.00 41.13 H new ATOM 0 HG2 ARG A 36 -6.147 -9.155 -10.304 1.00 63.22 H new ATOM 0 HG3 ARG A 36 -7.884 -9.380 -10.353 1.00 63.22 H new ATOM 0 HD2 ARG A 36 -7.933 -8.357 -12.635 1.00 42.42 H new ATOM 0 HD3 ARG A 36 -6.189 -8.193 -12.584 1.00 42.42 H new ATOM 0 HE ARG A 36 -6.551 -10.877 -12.062 1.00 45.14 H new ATOM 0 HH11 ARG A 36 -7.658 -8.664 -14.579 1.00 71.13 H new ATOM 0 HH12 ARG A 36 -7.767 -9.930 -15.806 1.00 71.13 H new ATOM 0 HH21 ARG A 36 -6.687 -12.495 -13.643 1.00 33.33 H new ATOM 0 HH22 ARG A 36 -7.219 -12.090 -15.278 1.00 33.33 H new ATOM 594 N ALA A 37 -6.785 -4.699 -8.939 1.00 3.41 N ATOM 595 CA ALA A 37 -7.363 -3.449 -8.474 1.00 3.21 C ATOM 596 C ALA A 37 -6.399 -2.287 -8.657 1.00 62.54 C ATOM 597 O ALA A 37 -6.587 -1.452 -9.537 1.00 1.03 O ATOM 598 CB ALA A 37 -7.783 -3.575 -7.017 1.00 14.51 C ATOM 0 H ALA A 37 -6.539 -5.351 -8.194 1.00 3.41 H new ATOM 0 HA ALA A 37 -8.246 -3.240 -9.078 1.00 3.21 H new ATOM 0 HB1 ALA A 37 -8.214 -2.633 -6.680 1.00 14.51 H new ATOM 0 HB2 ALA A 37 -8.524 -4.369 -6.919 1.00 14.51 H new ATOM 0 HB3 ALA A 37 -6.912 -3.814 -6.407 1.00 14.51 H new ATOM 604 N LEU A 38 -5.346 -2.268 -7.849 1.00 53.15 N ATOM 605 CA LEU A 38 -4.416 -1.141 -7.807 1.00 61.12 C ATOM 606 C LEU A 38 -3.820 -0.867 -9.186 1.00 42.51 C ATOM 607 O LEU A 38 -3.774 0.280 -9.658 1.00 51.03 O ATOM 608 CB LEU A 38 -3.284 -1.424 -6.805 1.00 12.22 C ATOM 609 CG LEU A 38 -3.645 -1.330 -5.310 1.00 22.22 C ATOM 610 CD1 LEU A 38 -4.749 -2.308 -4.929 1.00 2.04 C ATOM 611 CD2 LEU A 38 -2.411 -1.582 -4.460 1.00 12.42 C ATOM 0 H LEU A 38 -5.112 -3.026 -7.208 1.00 53.15 H new ATOM 0 HA LEU A 38 -4.973 -0.260 -7.489 1.00 61.12 H new ATOM 0 HB2 LEU A 38 -2.899 -2.425 -7.000 1.00 12.22 H new ATOM 0 HB3 LEU A 38 -2.471 -0.726 -7.004 1.00 12.22 H new ATOM 0 HG LEU A 38 -4.018 -0.323 -5.124 1.00 22.22 H new ATOM 0 HD11 LEU A 38 -4.973 -2.209 -3.867 1.00 2.04 H new ATOM 0 HD12 LEU A 38 -5.645 -2.090 -5.510 1.00 2.04 H new ATOM 0 HD13 LEU A 38 -4.421 -3.326 -5.137 1.00 2.04 H new ATOM 0 HD21 LEU A 38 -2.676 -1.514 -3.405 1.00 12.42 H new ATOM 0 HD22 LEU A 38 -2.020 -2.577 -4.672 1.00 12.42 H new ATOM 0 HD23 LEU A 38 -1.651 -0.836 -4.692 1.00 12.42 H new ATOM 623 N THR A 39 -3.401 -1.931 -9.844 1.00 1.10 N ATOM 624 CA THR A 39 -2.697 -1.814 -11.097 1.00 23.13 C ATOM 625 C THR A 39 -3.614 -1.360 -12.233 1.00 13.14 C ATOM 626 O THR A 39 -3.195 -0.566 -13.081 1.00 32.13 O ATOM 627 CB THR A 39 -2.017 -3.150 -11.435 1.00 44.22 C ATOM 628 OG1 THR A 39 -0.967 -3.413 -10.496 1.00 3.31 O ATOM 629 CG2 THR A 39 -1.472 -3.174 -12.839 1.00 41.23 C ATOM 0 H THR A 39 -3.539 -2.890 -9.525 1.00 1.10 H new ATOM 0 HA THR A 39 -1.935 -1.043 -10.986 1.00 23.13 H new ATOM 0 HB THR A 39 -2.776 -3.930 -11.369 1.00 44.22 H new ATOM 0 HG1 THR A 39 -0.538 -4.266 -10.715 1.00 3.31 H new ATOM 0 HG21 THR A 39 -1.001 -4.138 -13.030 1.00 41.23 H new ATOM 0 HG22 THR A 39 -2.286 -3.021 -13.548 1.00 41.23 H new ATOM 0 HG23 THR A 39 -0.734 -2.380 -12.956 1.00 41.23 H new ATOM 637 N VAL A 40 -4.864 -1.827 -12.255 1.00 31.32 N ATOM 638 CA VAL A 40 -5.747 -1.456 -13.352 1.00 74.22 C ATOM 639 C VAL A 40 -6.449 -0.126 -13.088 1.00 43.52 C ATOM 640 O VAL A 40 -6.799 0.580 -14.037 1.00 43.42 O ATOM 641 CB VAL A 40 -6.789 -2.555 -13.689 1.00 51.10 C ATOM 642 CG1 VAL A 40 -8.116 -2.322 -12.973 1.00 15.53 C ATOM 643 CG2 VAL A 40 -7.001 -2.644 -15.193 1.00 52.24 C ATOM 0 H VAL A 40 -5.273 -2.441 -11.551 1.00 31.32 H new ATOM 0 HA VAL A 40 -5.102 -1.343 -14.223 1.00 74.22 H new ATOM 0 HB VAL A 40 -6.390 -3.504 -13.332 1.00 51.10 H new ATOM 0 HG11 VAL A 40 -8.816 -3.114 -13.237 1.00 15.53 H new ATOM 0 HG12 VAL A 40 -7.953 -2.326 -11.895 1.00 15.53 H new ATOM 0 HG13 VAL A 40 -8.528 -1.359 -13.274 1.00 15.53 H new ATOM 0 HG21 VAL A 40 -7.735 -3.420 -15.412 1.00 52.24 H new ATOM 0 HG22 VAL A 40 -7.363 -1.686 -15.567 1.00 52.24 H new ATOM 0 HG23 VAL A 40 -6.057 -2.890 -15.680 1.00 52.24 H new ATOM 653 N VAL A 41 -6.659 0.234 -11.815 1.00 52.14 N ATOM 654 CA VAL A 41 -7.259 1.529 -11.525 1.00 40.34 C ATOM 655 C VAL A 41 -6.351 2.630 -12.039 1.00 2.24 C ATOM 656 O VAL A 41 -6.846 3.601 -12.614 1.00 51.01 O ATOM 657 CB VAL A 41 -7.602 1.764 -10.031 1.00 12.21 C ATOM 658 CG1 VAL A 41 -8.681 0.799 -9.575 1.00 23.32 C ATOM 659 CG2 VAL A 41 -6.376 1.663 -9.140 1.00 40.13 C ATOM 0 H VAL A 41 -6.430 -0.335 -11.000 1.00 52.14 H new ATOM 0 HA VAL A 41 -8.218 1.543 -12.042 1.00 40.34 H new ATOM 0 HB VAL A 41 -7.980 2.782 -9.940 1.00 12.21 H new ATOM 0 HG11 VAL A 41 -8.909 0.978 -8.524 1.00 23.32 H new ATOM 0 HG12 VAL A 41 -9.580 0.950 -10.172 1.00 23.32 H new ATOM 0 HG13 VAL A 41 -8.330 -0.225 -9.700 1.00 23.32 H new ATOM 0 HG21 VAL A 41 -6.665 1.835 -8.103 1.00 40.13 H new ATOM 0 HG22 VAL A 41 -5.938 0.669 -9.235 1.00 40.13 H new ATOM 0 HG23 VAL A 41 -5.644 2.412 -9.442 1.00 40.13 H new ATOM 669 N ASP A 42 -5.028 2.459 -11.827 1.00 50.25 N ATOM 670 CA ASP A 42 -3.996 3.270 -12.503 1.00 74.54 C ATOM 671 C ASP A 42 -2.672 3.208 -11.760 1.00 74.41 C ATOM 672 O ASP A 42 -2.578 3.659 -10.621 1.00 44.55 O ATOM 673 CB ASP A 42 -4.385 4.747 -12.638 1.00 4.21 C ATOM 674 CG ASP A 42 -4.370 5.224 -14.079 1.00 35.24 C ATOM 675 OD1 ASP A 42 -3.280 5.532 -14.599 1.00 62.12 O ATOM 676 OD2 ASP A 42 -5.459 5.298 -14.699 1.00 41.30 O ATOM 0 H ASP A 42 -4.649 1.760 -11.188 1.00 50.25 H new ATOM 0 HA ASP A 42 -3.902 2.837 -13.499 1.00 74.54 H new ATOM 0 HB2 ASP A 42 -5.380 4.897 -12.220 1.00 4.21 H new ATOM 0 HB3 ASP A 42 -3.698 5.355 -12.050 1.00 4.21 H new ATOM 681 N GLN A 43 -1.655 2.640 -12.404 1.00 42.31 N ATOM 682 CA GLN A 43 -0.289 2.743 -11.903 1.00 34.35 C ATOM 683 C GLN A 43 0.722 2.254 -12.944 1.00 71.30 C ATOM 684 O GLN A 43 1.504 3.048 -13.470 1.00 20.22 O ATOM 685 CB GLN A 43 -0.110 2.022 -10.551 1.00 63.22 C ATOM 686 CG GLN A 43 -0.224 0.508 -10.563 1.00 12.42 C ATOM 687 CD GLN A 43 0.283 -0.103 -9.269 1.00 45.01 C ATOM 688 OE1 GLN A 43 1.165 0.451 -8.618 1.00 33.24 O ATOM 689 NE2 GLN A 43 -0.257 -1.246 -8.888 1.00 53.20 N ATOM 0 H GLN A 43 -1.751 2.107 -13.268 1.00 42.31 H new ATOM 0 HA GLN A 43 -0.092 3.800 -11.722 1.00 34.35 H new ATOM 0 HB2 GLN A 43 0.869 2.286 -10.152 1.00 63.22 H new ATOM 0 HB3 GLN A 43 -0.853 2.413 -9.856 1.00 63.22 H new ATOM 0 HG2 GLN A 43 -1.265 0.223 -10.717 1.00 12.42 H new ATOM 0 HG3 GLN A 43 0.344 0.107 -11.402 1.00 12.42 H new ATOM 0 HE21 GLN A 43 -0.988 -1.678 -9.453 1.00 53.20 H new ATOM 0 HE22 GLN A 43 0.057 -1.697 -8.028 1.00 53.20 H new ATOM 698 N ASP A 44 0.677 0.970 -13.273 1.00 31.11 N ATOM 699 CA ASP A 44 1.636 0.378 -14.201 1.00 24.00 C ATOM 700 C ASP A 44 1.426 0.884 -15.633 1.00 42.24 C ATOM 701 O ASP A 44 2.375 1.348 -16.263 1.00 14.41 O ATOM 702 CB ASP A 44 1.576 -1.153 -14.135 1.00 32.42 C ATOM 703 CG ASP A 44 2.454 -1.825 -15.173 1.00 44.44 C ATOM 704 OD1 ASP A 44 3.691 -1.727 -15.066 1.00 43.23 O ATOM 705 OD2 ASP A 44 1.908 -2.465 -16.097 1.00 51.12 O ATOM 0 H ASP A 44 -0.016 0.315 -12.910 1.00 31.11 H new ATOM 0 HA ASP A 44 2.634 0.693 -13.895 1.00 24.00 H new ATOM 0 HB2 ASP A 44 1.882 -1.481 -13.141 1.00 32.42 H new ATOM 0 HB3 ASP A 44 0.545 -1.477 -14.274 1.00 32.42 H new ATOM 710 N PRO A 45 0.190 0.825 -16.178 1.00 52.43 N ATOM 711 CA PRO A 45 -0.092 1.338 -17.516 1.00 72.54 C ATOM 712 C PRO A 45 -0.599 2.780 -17.488 1.00 53.50 C ATOM 713 O PRO A 45 -1.342 3.203 -18.375 1.00 52.20 O ATOM 714 CB PRO A 45 -1.197 0.401 -17.989 1.00 53.04 C ATOM 715 CG PRO A 45 -1.996 0.116 -16.761 1.00 44.54 C ATOM 716 CD PRO A 45 -1.026 0.234 -15.576 1.00 30.21 C ATOM 0 HA PRO A 45 0.791 1.361 -18.154 1.00 72.54 H new ATOM 0 HB2 PRO A 45 -1.809 0.867 -18.761 1.00 53.04 H new ATOM 0 HB3 PRO A 45 -0.786 -0.514 -18.416 1.00 53.04 H new ATOM 0 HG2 PRO A 45 -2.820 0.823 -16.661 1.00 44.54 H new ATOM 0 HG3 PRO A 45 -2.435 -0.881 -16.806 1.00 44.54 H new ATOM 0 HD2 PRO A 45 -1.432 0.868 -14.788 1.00 30.21 H new ATOM 0 HD3 PRO A 45 -0.820 -0.738 -15.129 1.00 30.21 H new ATOM 724 N GLY A 46 -0.184 3.536 -16.477 1.00 52.12 N ATOM 725 CA GLY A 46 -0.718 4.871 -16.304 1.00 74.50 C ATOM 726 C GLY A 46 0.328 5.913 -15.961 1.00 30.04 C ATOM 727 O GLY A 46 0.411 6.939 -16.634 1.00 34.41 O ATOM 0 H GLY A 46 0.506 3.251 -15.782 1.00 52.12 H new ATOM 0 HA2 GLY A 46 -1.227 5.170 -17.221 1.00 74.50 H new ATOM 0 HA3 GLY A 46 -1.469 4.851 -15.514 1.00 74.50 H new ATOM 731 N GLN A 47 1.138 5.641 -14.932 1.00 14.31 N ATOM 732 CA GLN A 47 2.057 6.639 -14.373 1.00 22.34 C ATOM 733 C GLN A 47 1.264 7.807 -13.789 1.00 25.24 C ATOM 734 O GLN A 47 0.885 8.745 -14.493 1.00 21.44 O ATOM 735 CB GLN A 47 3.073 7.129 -15.414 1.00 21.11 C ATOM 736 CG GLN A 47 3.939 8.283 -14.931 1.00 14.42 C ATOM 737 CD GLN A 47 4.989 8.696 -15.943 1.00 14.24 C ATOM 738 OE1 GLN A 47 5.502 7.871 -16.699 1.00 73.22 O ATOM 739 NE2 GLN A 47 5.310 9.977 -15.969 1.00 14.51 N ATOM 0 H GLN A 47 1.176 4.734 -14.467 1.00 14.31 H new ATOM 0 HA GLN A 47 2.627 6.163 -13.575 1.00 22.34 H new ATOM 0 HB2 GLN A 47 3.718 6.297 -15.698 1.00 21.11 H new ATOM 0 HB3 GLN A 47 2.538 7.439 -16.312 1.00 21.11 H new ATOM 0 HG2 GLN A 47 3.303 9.139 -14.705 1.00 14.42 H new ATOM 0 HG3 GLN A 47 4.430 7.997 -14.001 1.00 14.42 H new ATOM 0 HE21 GLN A 47 4.861 10.628 -15.325 1.00 14.51 H new ATOM 0 HE22 GLN A 47 6.007 10.315 -16.633 1.00 14.51 H new ATOM 748 N VAL A 48 1.011 7.728 -12.496 1.00 54.54 N ATOM 749 CA VAL A 48 0.149 8.683 -11.820 1.00 0.41 C ATOM 750 C VAL A 48 0.725 9.039 -10.455 1.00 22.11 C ATOM 751 O VAL A 48 1.419 8.224 -9.851 1.00 50.54 O ATOM 752 CB VAL A 48 -1.268 8.085 -11.646 1.00 14.22 C ATOM 753 CG1 VAL A 48 -1.201 6.773 -10.877 1.00 52.12 C ATOM 754 CG2 VAL A 48 -2.206 9.067 -10.955 1.00 71.14 C ATOM 0 H VAL A 48 1.394 7.005 -11.887 1.00 54.54 H new ATOM 0 HA VAL A 48 0.087 9.587 -12.426 1.00 0.41 H new ATOM 0 HB VAL A 48 -1.671 7.887 -12.639 1.00 14.22 H new ATOM 0 HG11 VAL A 48 -2.206 6.366 -10.764 1.00 52.12 H new ATOM 0 HG12 VAL A 48 -0.581 6.062 -11.424 1.00 52.12 H new ATOM 0 HG13 VAL A 48 -0.768 6.950 -9.893 1.00 52.12 H new ATOM 0 HG21 VAL A 48 -3.192 8.615 -10.849 1.00 71.14 H new ATOM 0 HG22 VAL A 48 -1.812 9.314 -9.969 1.00 71.14 H new ATOM 0 HG23 VAL A 48 -2.286 9.976 -11.552 1.00 71.14 H new ATOM 764 N GLU A 49 0.462 10.257 -9.988 1.00 61.44 N ATOM 765 CA GLU A 49 0.865 10.661 -8.649 1.00 51.30 C ATOM 766 C GLU A 49 -0.169 10.181 -7.637 1.00 2.11 C ATOM 767 O GLU A 49 -1.237 10.781 -7.491 1.00 52.30 O ATOM 768 CB GLU A 49 1.027 12.183 -8.565 1.00 20.35 C ATOM 769 CG GLU A 49 1.494 12.674 -7.202 1.00 5.15 C ATOM 770 CD GLU A 49 1.624 14.181 -7.138 1.00 34.31 C ATOM 771 OE1 GLU A 49 2.718 14.702 -7.446 1.00 5.02 O ATOM 772 OE2 GLU A 49 0.642 14.856 -6.783 1.00 53.44 O ATOM 0 H GLU A 49 -0.028 10.978 -10.518 1.00 61.44 H new ATOM 0 HA GLU A 49 1.829 10.207 -8.421 1.00 51.30 H new ATOM 0 HB2 GLU A 49 1.742 12.506 -9.322 1.00 20.35 H new ATOM 0 HB3 GLU A 49 0.074 12.655 -8.804 1.00 20.35 H new ATOM 0 HG2 GLU A 49 0.790 12.341 -6.439 1.00 5.15 H new ATOM 0 HG3 GLU A 49 2.457 12.220 -6.967 1.00 5.15 H new ATOM 779 N TRP A 50 0.139 9.089 -6.951 1.00 21.45 N ATOM 780 CA TRP A 50 -0.813 8.482 -6.039 1.00 74.14 C ATOM 781 C TRP A 50 -0.096 7.742 -4.924 1.00 23.30 C ATOM 782 O TRP A 50 1.131 7.755 -4.854 1.00 73.42 O ATOM 783 CB TRP A 50 -1.747 7.530 -6.797 1.00 10.40 C ATOM 784 CG TRP A 50 -1.138 6.215 -7.185 1.00 21.25 C ATOM 785 CD1 TRP A 50 0.013 6.008 -7.889 1.00 35.32 C ATOM 786 CD2 TRP A 50 -1.673 4.920 -6.904 1.00 74.34 C ATOM 787 NE1 TRP A 50 0.230 4.661 -8.049 1.00 33.54 N ATOM 788 CE2 TRP A 50 -0.793 3.973 -7.454 1.00 64.22 C ATOM 789 CE3 TRP A 50 -2.813 4.470 -6.234 1.00 43.32 C ATOM 790 CZ2 TRP A 50 -1.017 2.603 -7.355 1.00 5.20 C ATOM 791 CZ3 TRP A 50 -3.035 3.110 -6.139 1.00 75.33 C ATOM 792 CH2 TRP A 50 -2.140 2.191 -6.697 1.00 51.44 C ATOM 0 H TRP A 50 1.037 8.609 -7.010 1.00 21.45 H new ATOM 0 HA TRP A 50 -1.411 9.276 -5.592 1.00 74.14 H new ATOM 0 HB2 TRP A 50 -2.624 7.338 -6.179 1.00 10.40 H new ATOM 0 HB3 TRP A 50 -2.096 8.031 -7.700 1.00 10.40 H new ATOM 0 HD1 TRP A 50 0.658 6.788 -8.265 1.00 35.32 H new ATOM 0 HE1 TRP A 50 1.024 4.242 -8.533 1.00 33.54 H new ATOM 0 HE3 TRP A 50 -3.508 5.172 -5.798 1.00 43.32 H new ATOM 0 HZ2 TRP A 50 -0.327 1.891 -7.783 1.00 5.20 H new ATOM 0 HZ3 TRP A 50 -3.914 2.750 -5.625 1.00 75.33 H new ATOM 0 HH2 TRP A 50 -2.342 1.134 -6.605 1.00 51.44 H new ATOM 803 N PHE A 51 -0.859 7.112 -4.043 1.00 50.11 N ATOM 804 CA PHE A 51 -0.276 6.310 -2.989 1.00 23.50 C ATOM 805 C PHE A 51 -1.295 5.353 -2.392 1.00 22.24 C ATOM 806 O PHE A 51 -2.502 5.557 -2.517 1.00 21.02 O ATOM 807 CB PHE A 51 0.335 7.209 -1.904 1.00 2.51 C ATOM 808 CG PHE A 51 -0.636 7.970 -1.033 1.00 4.34 C ATOM 809 CD1 PHE A 51 -1.155 9.185 -1.450 1.00 14.21 C ATOM 810 CD2 PHE A 51 -0.987 7.491 0.224 1.00 32.33 C ATOM 811 CE1 PHE A 51 -2.004 9.908 -0.636 1.00 51.41 C ATOM 812 CE2 PHE A 51 -1.842 8.209 1.040 1.00 53.24 C ATOM 813 CZ PHE A 51 -2.350 9.420 0.609 1.00 14.32 C ATOM 0 H PHE A 51 -1.879 7.143 -4.040 1.00 50.11 H new ATOM 0 HA PHE A 51 0.521 5.708 -3.426 1.00 23.50 H new ATOM 0 HB2 PHE A 51 0.958 6.590 -1.259 1.00 2.51 H new ATOM 0 HB3 PHE A 51 0.994 7.929 -2.389 1.00 2.51 H new ATOM 0 HD1 PHE A 51 -0.892 9.571 -2.424 1.00 14.21 H new ATOM 0 HD2 PHE A 51 -0.588 6.548 0.567 1.00 32.33 H new ATOM 0 HE1 PHE A 51 -2.398 10.856 -0.973 1.00 51.41 H new ATOM 0 HE2 PHE A 51 -2.112 7.824 2.012 1.00 53.24 H new ATOM 0 HZ PHE A 51 -3.017 9.984 1.245 1.00 14.32 H new ATOM 823 N VAL A 52 -0.797 4.291 -1.776 1.00 53.32 N ATOM 824 CA VAL A 52 -1.652 3.349 -1.072 1.00 30.21 C ATOM 825 C VAL A 52 -1.289 3.327 0.404 1.00 71.44 C ATOM 826 O VAL A 52 -0.124 3.515 0.782 1.00 24.35 O ATOM 827 CB VAL A 52 -1.571 1.915 -1.646 1.00 51.31 C ATOM 828 CG1 VAL A 52 -2.021 1.887 -3.094 1.00 44.13 C ATOM 829 CG2 VAL A 52 -0.169 1.344 -1.513 1.00 44.24 C ATOM 0 H VAL A 52 0.196 4.061 -1.750 1.00 53.32 H new ATOM 0 HA VAL A 52 -2.678 3.692 -1.207 1.00 30.21 H new ATOM 0 HB VAL A 52 -2.245 1.288 -1.063 1.00 51.31 H new ATOM 0 HG11 VAL A 52 -1.955 0.868 -3.476 1.00 44.13 H new ATOM 0 HG12 VAL A 52 -3.052 2.234 -3.161 1.00 44.13 H new ATOM 0 HG13 VAL A 52 -1.379 2.539 -3.687 1.00 44.13 H new ATOM 0 HG21 VAL A 52 -0.146 0.335 -1.926 1.00 44.24 H new ATOM 0 HG22 VAL A 52 0.534 1.975 -2.057 1.00 44.24 H new ATOM 0 HG23 VAL A 52 0.112 1.312 -0.460 1.00 44.24 H new ATOM 839 N LEU A 53 -2.280 3.106 1.244 1.00 21.42 N ATOM 840 CA LEU A 53 -2.061 3.173 2.670 1.00 44.12 C ATOM 841 C LEU A 53 -2.814 2.078 3.411 1.00 64.41 C ATOM 842 O LEU A 53 -3.959 1.724 3.074 1.00 60.42 O ATOM 843 CB LEU A 53 -2.426 4.563 3.223 1.00 72.10 C ATOM 844 CG LEU A 53 -3.920 4.900 3.341 1.00 60.00 C ATOM 845 CD1 LEU A 53 -4.094 6.305 3.889 1.00 3.42 C ATOM 846 CD2 LEU A 53 -4.624 4.779 2.005 1.00 43.55 C ATOM 0 H LEU A 53 -3.235 2.881 0.965 1.00 21.42 H new ATOM 0 HA LEU A 53 -0.997 3.008 2.840 1.00 44.12 H new ATOM 0 HB2 LEU A 53 -1.978 4.662 4.212 1.00 72.10 H new ATOM 0 HB3 LEU A 53 -1.959 5.314 2.585 1.00 72.10 H new ATOM 0 HG LEU A 53 -4.371 4.182 4.026 1.00 60.00 H new ATOM 0 HD11 LEU A 53 -5.156 6.535 3.969 1.00 3.42 H new ATOM 0 HD12 LEU A 53 -3.633 6.371 4.875 1.00 3.42 H new ATOM 0 HD13 LEU A 53 -3.618 7.019 3.217 1.00 3.42 H new ATOM 0 HD21 LEU A 53 -5.679 5.025 2.126 1.00 43.55 H new ATOM 0 HD22 LEU A 53 -4.171 5.467 1.291 1.00 43.55 H new ATOM 0 HD23 LEU A 53 -4.529 3.758 1.635 1.00 43.55 H new ATOM 858 N ASN A 54 -2.126 1.527 4.400 1.00 3.41 N ATOM 859 CA ASN A 54 -2.681 0.511 5.276 1.00 22.42 C ATOM 860 C ASN A 54 -2.528 0.973 6.720 1.00 1.44 C ATOM 861 O ASN A 54 -2.740 0.213 7.657 1.00 0.11 O ATOM 862 CB ASN A 54 -1.938 -0.820 5.093 1.00 10.12 C ATOM 863 CG ASN A 54 -1.861 -1.291 3.651 1.00 11.23 C ATOM 864 OD1 ASN A 54 -2.741 -1.021 2.842 1.00 12.21 O ATOM 865 ND2 ASN A 54 -0.794 -2.006 3.320 1.00 4.22 N ATOM 0 H ASN A 54 -1.161 1.775 4.617 1.00 3.41 H new ATOM 0 HA ASN A 54 -3.733 0.363 5.031 1.00 22.42 H new ATOM 0 HB2 ASN A 54 -0.926 -0.717 5.485 1.00 10.12 H new ATOM 0 HB3 ASN A 54 -2.434 -1.586 5.689 1.00 10.12 H new ATOM 0 HD21 ASN A 54 -0.687 -2.350 2.366 1.00 4.22 H new ATOM 0 HD22 ASN A 54 -0.081 -2.212 4.020 1.00 4.22 H new ATOM 872 N ALA A 55 -2.193 2.247 6.885 1.00 5.42 N ATOM 873 CA ALA A 55 -1.758 2.769 8.177 1.00 42.53 C ATOM 874 C ALA A 55 -2.915 2.997 9.149 1.00 65.53 C ATOM 875 O ALA A 55 -2.700 3.422 10.285 1.00 11.04 O ATOM 876 CB ALA A 55 -0.973 4.051 7.983 1.00 53.04 C ATOM 0 H ALA A 55 -2.214 2.941 6.138 1.00 5.42 H new ATOM 0 HA ALA A 55 -1.118 2.010 8.626 1.00 42.53 H new ATOM 0 HB1 ALA A 55 -0.653 4.432 8.953 1.00 53.04 H new ATOM 0 HB2 ALA A 55 -0.098 3.852 7.365 1.00 53.04 H new ATOM 0 HB3 ALA A 55 -1.603 4.793 7.492 1.00 53.04 H new ATOM 882 N GLU A 56 -4.127 2.719 8.715 1.00 4.30 N ATOM 883 CA GLU A 56 -5.278 2.804 9.599 1.00 25.01 C ATOM 884 C GLU A 56 -5.737 1.407 9.990 1.00 62.22 C ATOM 885 O GLU A 56 -6.146 1.169 11.123 1.00 21.32 O ATOM 886 CB GLU A 56 -6.439 3.555 8.941 1.00 71.23 C ATOM 887 CG GLU A 56 -6.077 4.940 8.423 1.00 1.41 C ATOM 888 CD GLU A 56 -5.326 4.890 7.110 1.00 54.41 C ATOM 889 OE1 GLU A 56 -5.929 4.477 6.100 1.00 73.20 O ATOM 890 OE2 GLU A 56 -4.131 5.248 7.084 1.00 53.23 O ATOM 0 H GLU A 56 -4.343 2.433 7.760 1.00 4.30 H new ATOM 0 HA GLU A 56 -4.973 3.357 10.487 1.00 25.01 H new ATOM 0 HB2 GLU A 56 -6.819 2.958 8.112 1.00 71.23 H new ATOM 0 HB3 GLU A 56 -7.250 3.651 9.663 1.00 71.23 H new ATOM 0 HG2 GLU A 56 -6.987 5.526 8.295 1.00 1.41 H new ATOM 0 HG3 GLU A 56 -5.468 5.455 9.166 1.00 1.41 H new ATOM 897 N SER A 57 -5.633 0.488 9.045 1.00 3.03 N ATOM 898 CA SER A 57 -6.113 -0.865 9.231 1.00 64.41 C ATOM 899 C SER A 57 -5.378 -1.812 8.285 1.00 35.23 C ATOM 900 O SER A 57 -5.323 -1.571 7.082 1.00 54.11 O ATOM 901 CB SER A 57 -7.621 -0.900 8.982 1.00 70.45 C ATOM 902 OG SER A 57 -7.963 -0.171 7.811 1.00 15.11 O ATOM 0 H SER A 57 -5.214 0.661 8.131 1.00 3.03 H new ATOM 0 HA SER A 57 -5.918 -1.192 10.252 1.00 64.41 H new ATOM 0 HB2 SER A 57 -7.952 -1.934 8.880 1.00 70.45 H new ATOM 0 HB3 SER A 57 -8.144 -0.481 9.841 1.00 70.45 H new ATOM 0 HG SER A 57 -8.865 0.200 7.909 1.00 15.11 H new ATOM 908 N ASN A 58 -4.788 -2.864 8.840 1.00 1.40 N ATOM 909 CA ASN A 58 -4.032 -3.841 8.050 1.00 42.12 C ATOM 910 C ASN A 58 -3.517 -4.950 8.952 1.00 54.11 C ATOM 911 O ASN A 58 -2.510 -5.591 8.659 1.00 43.12 O ATOM 912 CB ASN A 58 -2.847 -3.166 7.333 1.00 73.33 C ATOM 913 CG ASN A 58 -1.784 -2.621 8.282 1.00 15.03 C ATOM 914 OD1 ASN A 58 -2.050 -2.331 9.449 1.00 50.25 O ATOM 915 ND2 ASN A 58 -0.575 -2.439 7.766 1.00 43.23 N ATOM 0 H ASN A 58 -4.816 -3.067 9.839 1.00 1.40 H new ATOM 0 HA ASN A 58 -4.699 -4.263 7.299 1.00 42.12 H new ATOM 0 HB2 ASN A 58 -2.384 -3.886 6.659 1.00 73.33 H new ATOM 0 HB3 ASN A 58 -3.224 -2.350 6.717 1.00 73.33 H new ATOM 0 HD21 ASN A 58 0.171 -2.047 8.341 1.00 43.23 H new ATOM 0 HD22 ASN A 58 -0.392 -2.691 6.795 1.00 43.23 H new ATOM 922 N VAL A 59 -4.233 -5.202 10.034 1.00 54.51 N ATOM 923 CA VAL A 59 -3.713 -6.059 11.083 1.00 44.01 C ATOM 924 C VAL A 59 -4.489 -7.368 11.227 1.00 2.24 C ATOM 925 O VAL A 59 -3.894 -8.409 11.506 1.00 75.41 O ATOM 926 CB VAL A 59 -3.665 -5.300 12.425 1.00 52.22 C ATOM 927 CG1 VAL A 59 -5.020 -4.703 12.770 1.00 11.13 C ATOM 928 CG2 VAL A 59 -3.173 -6.197 13.550 1.00 73.04 C ATOM 0 H VAL A 59 -5.166 -4.829 10.208 1.00 54.51 H new ATOM 0 HA VAL A 59 -2.700 -6.334 10.790 1.00 44.01 H new ATOM 0 HB VAL A 59 -2.954 -4.482 12.310 1.00 52.22 H new ATOM 0 HG11 VAL A 59 -4.953 -4.175 13.721 1.00 11.13 H new ATOM 0 HG12 VAL A 59 -5.320 -4.006 11.988 1.00 11.13 H new ATOM 0 HG13 VAL A 59 -5.759 -5.500 12.849 1.00 11.13 H new ATOM 0 HG21 VAL A 59 -3.151 -5.632 14.482 1.00 73.04 H new ATOM 0 HG22 VAL A 59 -3.845 -7.048 13.657 1.00 73.04 H new ATOM 0 HG23 VAL A 59 -2.170 -6.554 13.318 1.00 73.04 H new ATOM 938 N GLU A 60 -5.800 -7.344 11.016 1.00 11.30 N ATOM 939 CA GLU A 60 -6.591 -8.555 11.183 1.00 73.30 C ATOM 940 C GLU A 60 -7.154 -8.964 9.847 1.00 54.23 C ATOM 941 O GLU A 60 -7.846 -9.970 9.722 1.00 32.03 O ATOM 942 CB GLU A 60 -7.733 -8.319 12.169 1.00 55.02 C ATOM 943 CG GLU A 60 -7.272 -7.831 13.529 1.00 60.13 C ATOM 944 CD GLU A 60 -8.423 -7.595 14.476 1.00 54.12 C ATOM 945 OE1 GLU A 60 -9.105 -6.558 14.344 1.00 2.12 O ATOM 946 OE2 GLU A 60 -8.657 -8.446 15.354 1.00 54.40 O ATOM 0 H GLU A 60 -6.328 -6.518 10.735 1.00 11.30 H new ATOM 0 HA GLU A 60 -5.952 -9.345 11.577 1.00 73.30 H new ATOM 0 HB2 GLU A 60 -8.422 -7.589 11.745 1.00 55.02 H new ATOM 0 HB3 GLU A 60 -8.290 -9.247 12.295 1.00 55.02 H new ATOM 0 HG2 GLU A 60 -6.592 -8.564 13.964 1.00 60.13 H new ATOM 0 HG3 GLU A 60 -6.709 -6.906 13.408 1.00 60.13 H new ATOM 953 N VAL A 61 -6.819 -8.178 8.846 1.00 32.20 N ATOM 954 CA VAL A 61 -7.474 -8.263 7.565 1.00 41.30 C ATOM 955 C VAL A 61 -6.513 -8.719 6.475 1.00 30.31 C ATOM 956 O VAL A 61 -6.847 -9.581 5.659 1.00 1.44 O ATOM 957 CB VAL A 61 -8.114 -6.899 7.216 1.00 13.24 C ATOM 958 CG1 VAL A 61 -9.025 -6.471 8.355 1.00 15.11 C ATOM 959 CG2 VAL A 61 -7.065 -5.825 6.951 1.00 63.43 C ATOM 0 H VAL A 61 -6.089 -7.467 8.900 1.00 32.20 H new ATOM 0 HA VAL A 61 -8.261 -9.015 7.627 1.00 41.30 H new ATOM 0 HB VAL A 61 -8.690 -7.018 6.298 1.00 13.24 H new ATOM 0 HG11 VAL A 61 -9.480 -5.510 8.116 1.00 15.11 H new ATOM 0 HG12 VAL A 61 -9.807 -7.217 8.496 1.00 15.11 H new ATOM 0 HG13 VAL A 61 -8.443 -6.379 9.272 1.00 15.11 H new ATOM 0 HG21 VAL A 61 -7.560 -4.884 6.710 1.00 63.43 H new ATOM 0 HG22 VAL A 61 -6.447 -5.693 7.839 1.00 63.43 H new ATOM 0 HG23 VAL A 61 -6.436 -6.129 6.114 1.00 63.43 H new ATOM 969 N ASP A 62 -5.308 -8.180 6.501 1.00 71.33 N ATOM 970 CA ASP A 62 -4.330 -8.464 5.475 1.00 55.23 C ATOM 971 C ASP A 62 -3.154 -9.196 6.104 1.00 13.42 C ATOM 972 O ASP A 62 -2.679 -8.807 7.174 1.00 63.24 O ATOM 973 CB ASP A 62 -3.873 -7.157 4.826 1.00 44.51 C ATOM 974 CG ASP A 62 -3.264 -7.358 3.445 1.00 73.25 C ATOM 975 OD1 ASP A 62 -2.465 -8.301 3.263 1.00 62.10 O ATOM 976 OD2 ASP A 62 -3.604 -6.581 2.524 1.00 54.34 O ATOM 0 H ASP A 62 -4.985 -7.540 7.227 1.00 71.33 H new ATOM 0 HA ASP A 62 -4.768 -9.095 4.701 1.00 55.23 H new ATOM 0 HB2 ASP A 62 -4.724 -6.481 4.746 1.00 44.51 H new ATOM 0 HB3 ASP A 62 -3.141 -6.673 5.473 1.00 44.51 H new ATOM 981 N LEU A 63 -2.710 -10.270 5.469 1.00 12.45 N ATOM 982 CA LEU A 63 -1.690 -11.126 6.056 1.00 33.12 C ATOM 983 C LEU A 63 -0.416 -11.130 5.217 1.00 31.43 C ATOM 984 O LEU A 63 0.625 -10.635 5.655 1.00 53.23 O ATOM 985 CB LEU A 63 -2.223 -12.557 6.233 1.00 11.02 C ATOM 986 CG LEU A 63 -3.135 -12.790 7.453 1.00 63.11 C ATOM 987 CD1 LEU A 63 -4.425 -11.987 7.359 1.00 51.51 C ATOM 988 CD2 LEU A 63 -3.454 -14.265 7.599 1.00 35.13 C ATOM 0 H LEU A 63 -3.038 -10.569 4.551 1.00 12.45 H new ATOM 0 HA LEU A 63 -1.441 -10.722 7.037 1.00 33.12 H new ATOM 0 HB2 LEU A 63 -2.774 -12.832 5.334 1.00 11.02 H new ATOM 0 HB3 LEU A 63 -1.372 -13.234 6.305 1.00 11.02 H new ATOM 0 HG LEU A 63 -2.593 -12.448 8.334 1.00 63.11 H new ATOM 0 HD11 LEU A 63 -5.039 -12.180 8.239 1.00 51.51 H new ATOM 0 HD12 LEU A 63 -4.189 -10.924 7.308 1.00 51.51 H new ATOM 0 HD13 LEU A 63 -4.972 -12.281 6.463 1.00 51.51 H new ATOM 0 HD21 LEU A 63 -4.099 -14.414 8.465 1.00 35.13 H new ATOM 0 HD22 LEU A 63 -3.964 -14.618 6.702 1.00 35.13 H new ATOM 0 HD23 LEU A 63 -2.529 -14.826 7.735 1.00 35.13 H new ATOM 1000 N THR A 64 -0.495 -11.669 4.005 1.00 34.21 N ATOM 1001 CA THR A 64 0.672 -11.762 3.138 1.00 42.35 C ATOM 1002 C THR A 64 0.811 -10.496 2.283 1.00 61.02 C ATOM 1003 O THR A 64 1.120 -10.546 1.079 1.00 11.21 O ATOM 1004 CB THR A 64 0.596 -13.020 2.252 1.00 71.35 C ATOM 1005 OG1 THR A 64 0.191 -14.135 3.057 1.00 5.12 O ATOM 1006 CG2 THR A 64 1.945 -13.330 1.614 1.00 61.22 C ATOM 0 H THR A 64 -1.353 -12.047 3.602 1.00 34.21 H new ATOM 0 HA THR A 64 1.559 -11.847 3.765 1.00 42.35 H new ATOM 0 HB THR A 64 -0.126 -12.838 1.456 1.00 71.35 H new ATOM 0 HG1 THR A 64 -0.432 -14.696 2.549 1.00 5.12 H new ATOM 0 HG21 THR A 64 1.858 -14.223 0.995 1.00 61.22 H new ATOM 0 HG22 THR A 64 2.257 -12.489 0.995 1.00 61.22 H new ATOM 0 HG23 THR A 64 2.686 -13.500 2.395 1.00 61.22 H new ATOM 1014 N ALA A 65 0.585 -9.360 2.937 1.00 12.03 N ATOM 1015 CA ALA A 65 0.773 -8.050 2.332 1.00 52.11 C ATOM 1016 C ALA A 65 2.185 -7.922 1.787 1.00 43.34 C ATOM 1017 O ALA A 65 2.400 -7.336 0.727 1.00 34.43 O ATOM 1018 CB ALA A 65 0.509 -6.964 3.365 1.00 61.42 C ATOM 0 H ALA A 65 0.265 -9.325 3.905 1.00 12.03 H new ATOM 0 HA ALA A 65 0.070 -7.935 1.507 1.00 52.11 H new ATOM 0 HB1 ALA A 65 0.651 -5.985 2.908 1.00 61.42 H new ATOM 0 HB2 ALA A 65 -0.515 -7.049 3.729 1.00 61.42 H new ATOM 0 HB3 ALA A 65 1.202 -7.079 4.199 1.00 61.42 H new ATOM 1024 N LEU A 66 3.123 -8.504 2.533 1.00 73.43 N ATOM 1025 CA LEU A 66 4.539 -8.544 2.167 1.00 74.41 C ATOM 1026 C LEU A 66 4.702 -8.878 0.702 1.00 72.25 C ATOM 1027 O LEU A 66 4.967 -8.015 -0.134 1.00 72.25 O ATOM 1028 CB LEU A 66 5.273 -9.643 2.943 1.00 60.12 C ATOM 1029 CG LEU A 66 5.515 -9.444 4.434 1.00 51.54 C ATOM 1030 CD1 LEU A 66 4.217 -9.227 5.194 1.00 21.13 C ATOM 1031 CD2 LEU A 66 6.237 -10.669 4.961 1.00 31.14 C ATOM 0 H LEU A 66 2.919 -8.967 3.419 1.00 73.43 H new ATOM 0 HA LEU A 66 4.950 -7.561 2.397 1.00 74.41 H new ATOM 0 HB2 LEU A 66 4.710 -10.568 2.819 1.00 60.12 H new ATOM 0 HB3 LEU A 66 6.242 -9.794 2.467 1.00 60.12 H new ATOM 0 HG LEU A 66 6.119 -8.549 4.581 1.00 51.54 H new ATOM 0 HD11 LEU A 66 4.434 -9.089 6.253 1.00 21.13 H new ATOM 0 HD12 LEU A 66 3.714 -8.340 4.809 1.00 21.13 H new ATOM 0 HD13 LEU A 66 3.571 -10.095 5.066 1.00 21.13 H new ATOM 0 HD21 LEU A 66 6.422 -10.551 6.029 1.00 31.14 H new ATOM 0 HD22 LEU A 66 5.622 -11.553 4.795 1.00 31.14 H new ATOM 0 HD23 LEU A 66 7.187 -10.784 4.439 1.00 31.14 H new ATOM 1043 N ASP A 67 4.508 -10.156 0.417 1.00 51.01 N ATOM 1044 CA ASP A 67 4.701 -10.690 -0.907 1.00 33.00 C ATOM 1045 C ASP A 67 3.867 -9.920 -1.905 1.00 62.24 C ATOM 1046 O ASP A 67 4.405 -9.152 -2.703 1.00 65.43 O ATOM 1047 CB ASP A 67 4.322 -12.172 -0.928 1.00 63.04 C ATOM 1048 CG ASP A 67 4.641 -12.835 -2.249 1.00 61.43 C ATOM 1049 OD1 ASP A 67 5.774 -13.339 -2.405 1.00 35.10 O ATOM 1050 OD2 ASP A 67 3.766 -12.863 -3.136 1.00 10.33 O ATOM 0 H ASP A 67 4.211 -10.848 1.105 1.00 51.01 H new ATOM 0 HA ASP A 67 5.751 -10.590 -1.183 1.00 33.00 H new ATOM 0 HB2 ASP A 67 4.852 -12.690 -0.128 1.00 63.04 H new ATOM 0 HB3 ASP A 67 3.256 -12.274 -0.723 1.00 63.04 H new ATOM 1055 N ALA A 68 2.553 -10.064 -1.798 1.00 43.23 N ATOM 1056 CA ALA A 68 1.649 -9.536 -2.805 1.00 45.54 C ATOM 1057 C ALA A 68 1.843 -8.038 -3.016 1.00 65.40 C ATOM 1058 O ALA A 68 2.416 -7.599 -4.027 1.00 25.21 O ATOM 1059 CB ALA A 68 0.206 -9.838 -2.428 1.00 52.11 C ATOM 0 H ALA A 68 2.092 -10.542 -1.024 1.00 43.23 H new ATOM 0 HA ALA A 68 1.883 -10.030 -3.748 1.00 45.54 H new ATOM 0 HB1 ALA A 68 -0.461 -9.437 -3.191 1.00 52.11 H new ATOM 0 HB2 ALA A 68 0.067 -10.917 -2.355 1.00 52.11 H new ATOM 0 HB3 ALA A 68 -0.023 -9.377 -1.467 1.00 52.11 H new ATOM 1065 N LEU A 69 1.418 -7.248 -2.042 1.00 42.34 N ATOM 1066 CA LEU A 69 1.292 -5.834 -2.279 1.00 32.02 C ATOM 1067 C LEU A 69 2.631 -5.131 -2.245 1.00 14.03 C ATOM 1068 O LEU A 69 2.823 -4.188 -3.001 1.00 72.32 O ATOM 1069 CB LEU A 69 0.275 -5.174 -1.329 1.00 3.54 C ATOM 1070 CG LEU A 69 0.682 -4.960 0.139 1.00 51.23 C ATOM 1071 CD1 LEU A 69 1.570 -3.732 0.304 1.00 40.00 C ATOM 1072 CD2 LEU A 69 -0.558 -4.818 1.006 1.00 52.22 C ATOM 0 H LEU A 69 1.162 -7.559 -1.105 1.00 42.34 H new ATOM 0 HA LEU A 69 0.899 -5.722 -3.290 1.00 32.02 H new ATOM 0 HB2 LEU A 69 0.012 -4.202 -1.746 1.00 3.54 H new ATOM 0 HB3 LEU A 69 -0.631 -5.780 -1.338 1.00 3.54 H new ATOM 0 HG LEU A 69 1.254 -5.832 0.455 1.00 51.23 H new ATOM 0 HD11 LEU A 69 1.836 -3.614 1.354 1.00 40.00 H new ATOM 0 HD12 LEU A 69 2.476 -3.856 -0.289 1.00 40.00 H new ATOM 0 HD13 LEU A 69 1.033 -2.846 -0.036 1.00 40.00 H new ATOM 0 HD21 LEU A 69 -0.261 -4.667 2.044 1.00 52.22 H new ATOM 0 HD22 LEU A 69 -1.143 -3.963 0.668 1.00 52.22 H new ATOM 0 HD23 LEU A 69 -1.161 -5.723 0.929 1.00 52.22 H new ATOM 1084 N ASP A 70 3.574 -5.578 -1.413 1.00 23.34 N ATOM 1085 CA ASP A 70 4.811 -4.825 -1.288 1.00 60.14 C ATOM 1086 C ASP A 70 5.673 -5.013 -2.504 1.00 71.33 C ATOM 1087 O ASP A 70 6.318 -4.076 -2.935 1.00 11.44 O ATOM 1088 CB ASP A 70 5.630 -5.164 -0.056 1.00 62.31 C ATOM 1089 CG ASP A 70 6.557 -4.015 0.316 1.00 10.54 C ATOM 1090 OD1 ASP A 70 6.101 -3.073 1.004 1.00 24.34 O ATOM 1091 OD2 ASP A 70 7.731 -4.028 -0.102 1.00 31.13 O ATOM 0 H ASP A 70 3.507 -6.420 -0.841 1.00 23.34 H new ATOM 0 HA ASP A 70 4.496 -3.786 -1.188 1.00 60.14 H new ATOM 0 HB2 ASP A 70 4.964 -5.384 0.779 1.00 62.31 H new ATOM 0 HB3 ASP A 70 6.217 -6.064 -0.241 1.00 62.31 H new ATOM 1096 N GLN A 71 5.694 -6.207 -3.082 1.00 12.55 N ATOM 1097 CA GLN A 71 6.508 -6.388 -4.266 1.00 20.33 C ATOM 1098 C GLN A 71 5.917 -5.607 -5.423 1.00 75.14 C ATOM 1099 O GLN A 71 6.653 -4.990 -6.176 1.00 73.23 O ATOM 1100 CB GLN A 71 6.679 -7.853 -4.647 1.00 3.02 C ATOM 1101 CG GLN A 71 5.499 -8.451 -5.382 1.00 24.24 C ATOM 1102 CD GLN A 71 5.697 -9.915 -5.629 1.00 41.33 C ATOM 1103 OE1 GLN A 71 6.154 -10.333 -6.694 1.00 44.14 O ATOM 1104 NE2 GLN A 71 5.405 -10.691 -4.613 1.00 13.42 N ATOM 0 H GLN A 71 5.180 -7.029 -2.765 1.00 12.55 H new ATOM 0 HA GLN A 71 7.503 -6.007 -4.034 1.00 20.33 H new ATOM 0 HB2 GLN A 71 7.568 -7.952 -5.270 1.00 3.02 H new ATOM 0 HB3 GLN A 71 6.859 -8.432 -3.741 1.00 3.02 H new ATOM 0 HG2 GLN A 71 4.590 -8.298 -4.800 1.00 24.24 H new ATOM 0 HG3 GLN A 71 5.360 -7.935 -6.332 1.00 24.24 H new ATOM 0 HE21 GLN A 71 5.029 -10.288 -3.755 1.00 13.42 H new ATOM 0 HE22 GLN A 71 5.554 -11.698 -4.681 1.00 13.42 H new ATOM 1113 N LEU A 72 4.588 -5.595 -5.562 1.00 0.41 N ATOM 1114 CA LEU A 72 4.001 -4.856 -6.668 1.00 42.41 C ATOM 1115 C LEU A 72 4.040 -3.351 -6.411 1.00 74.13 C ATOM 1116 O LEU A 72 4.184 -2.573 -7.343 1.00 44.52 O ATOM 1117 CB LEU A 72 2.588 -5.349 -7.016 1.00 32.51 C ATOM 1118 CG LEU A 72 1.533 -5.289 -5.912 1.00 73.10 C ATOM 1119 CD1 LEU A 72 0.979 -3.881 -5.757 1.00 12.14 C ATOM 1120 CD2 LEU A 72 0.422 -6.274 -6.226 1.00 45.51 C ATOM 0 H LEU A 72 3.927 -6.069 -4.947 1.00 0.41 H new ATOM 0 HA LEU A 72 4.615 -5.052 -7.547 1.00 42.41 H new ATOM 0 HB2 LEU A 72 2.225 -4.764 -7.861 1.00 32.51 H new ATOM 0 HB3 LEU A 72 2.665 -6.383 -7.353 1.00 32.51 H new ATOM 0 HG LEU A 72 1.998 -5.561 -4.964 1.00 73.10 H new ATOM 0 HD11 LEU A 72 0.231 -3.870 -4.964 1.00 12.14 H new ATOM 0 HD12 LEU A 72 1.789 -3.197 -5.501 1.00 12.14 H new ATOM 0 HD13 LEU A 72 0.520 -3.565 -6.694 1.00 12.14 H new ATOM 0 HD21 LEU A 72 -0.333 -6.234 -5.440 1.00 45.51 H new ATOM 0 HD22 LEU A 72 -0.035 -6.015 -7.181 1.00 45.51 H new ATOM 0 HD23 LEU A 72 0.834 -7.282 -6.282 1.00 45.51 H new ATOM 1132 N ARG A 73 3.942 -2.927 -5.152 1.00 2.44 N ATOM 1133 CA ARG A 73 4.096 -1.511 -4.855 1.00 54.13 C ATOM 1134 C ARG A 73 5.553 -1.117 -5.045 1.00 15.31 C ATOM 1135 O ARG A 73 5.846 -0.217 -5.796 1.00 64.55 O ATOM 1136 CB ARG A 73 3.605 -1.135 -3.444 1.00 71.34 C ATOM 1137 CG ARG A 73 4.333 -1.836 -2.313 1.00 30.41 C ATOM 1138 CD ARG A 73 4.319 -1.022 -1.034 1.00 31.32 C ATOM 1139 NE ARG A 73 4.969 0.270 -1.228 1.00 44.21 N ATOM 1140 CZ ARG A 73 6.276 0.428 -1.399 1.00 70.33 C ATOM 1141 NH1 ARG A 73 7.100 -0.603 -1.296 1.00 33.54 N ATOM 1142 NH2 ARG A 73 6.771 1.627 -1.653 1.00 51.34 N ATOM 0 H ARG A 73 3.762 -3.525 -4.346 1.00 2.44 H new ATOM 0 HA ARG A 73 3.466 -0.955 -5.549 1.00 54.13 H new ATOM 0 HB2 ARG A 73 3.709 -0.058 -3.313 1.00 71.34 H new ATOM 0 HB3 ARG A 73 2.542 -1.364 -3.371 1.00 71.34 H new ATOM 0 HG2 ARG A 73 3.870 -2.805 -2.130 1.00 30.41 H new ATOM 0 HG3 ARG A 73 5.364 -2.027 -2.610 1.00 30.41 H new ATOM 0 HD2 ARG A 73 3.290 -0.870 -0.707 1.00 31.32 H new ATOM 0 HD3 ARG A 73 4.827 -1.573 -0.243 1.00 31.32 H new ATOM 0 HE ARG A 73 4.382 1.104 -1.233 1.00 44.21 H new ATOM 0 HH11 ARG A 73 6.732 -1.530 -1.083 1.00 33.54 H new ATOM 0 HH12 ARG A 73 8.102 -0.470 -1.429 1.00 33.54 H new ATOM 0 HH21 ARG A 73 6.149 2.432 -1.718 1.00 51.34 H new ATOM 0 HH22 ARG A 73 7.775 1.747 -1.784 1.00 51.34 H new ATOM 1156 N THR A 74 6.452 -1.842 -4.401 1.00 32.21 N ATOM 1157 CA THR A 74 7.889 -1.629 -4.529 1.00 23.12 C ATOM 1158 C THR A 74 8.312 -1.567 -6.001 1.00 73.34 C ATOM 1159 O THR A 74 8.890 -0.576 -6.468 1.00 1.40 O ATOM 1160 CB THR A 74 8.636 -2.781 -3.799 1.00 45.03 C ATOM 1161 OG1 THR A 74 8.780 -2.486 -2.402 1.00 52.25 O ATOM 1162 CG2 THR A 74 9.996 -3.089 -4.405 1.00 4.42 C ATOM 0 H THR A 74 6.205 -2.603 -3.768 1.00 32.21 H new ATOM 0 HA THR A 74 8.148 -0.673 -4.074 1.00 23.12 H new ATOM 0 HB THR A 74 8.020 -3.671 -3.925 1.00 45.03 H new ATOM 0 HG1 THR A 74 8.339 -3.183 -1.873 1.00 52.25 H new ATOM 0 HG21 THR A 74 10.466 -3.901 -3.851 1.00 4.42 H new ATOM 0 HG22 THR A 74 9.872 -3.385 -5.447 1.00 4.42 H new ATOM 0 HG23 THR A 74 10.627 -2.202 -4.353 1.00 4.42 H new ATOM 1170 N GLU A 75 7.951 -2.605 -6.735 1.00 34.23 N ATOM 1171 CA GLU A 75 8.436 -2.808 -8.083 1.00 15.13 C ATOM 1172 C GLU A 75 7.800 -1.836 -9.081 1.00 33.32 C ATOM 1173 O GLU A 75 8.423 -1.468 -10.073 1.00 4.10 O ATOM 1174 CB GLU A 75 8.168 -4.255 -8.483 1.00 14.31 C ATOM 1175 CG GLU A 75 8.847 -4.680 -9.770 1.00 63.02 C ATOM 1176 CD GLU A 75 10.359 -4.585 -9.691 1.00 52.40 C ATOM 1177 OE1 GLU A 75 10.986 -5.506 -9.132 1.00 70.11 O ATOM 1178 OE2 GLU A 75 10.929 -3.600 -10.205 1.00 71.35 O ATOM 0 H GLU A 75 7.312 -3.330 -6.410 1.00 34.23 H new ATOM 0 HA GLU A 75 9.507 -2.607 -8.103 1.00 15.13 H new ATOM 0 HB2 GLU A 75 8.499 -4.910 -7.677 1.00 14.31 H new ATOM 0 HB3 GLU A 75 7.093 -4.398 -8.588 1.00 14.31 H new ATOM 0 HG2 GLU A 75 8.563 -5.706 -10.005 1.00 63.02 H new ATOM 0 HG3 GLU A 75 8.490 -4.055 -10.588 1.00 63.02 H new ATOM 1185 N LEU A 76 6.570 -1.412 -8.818 1.00 25.53 N ATOM 1186 CA LEU A 76 5.866 -0.522 -9.738 1.00 45.03 C ATOM 1187 C LEU A 76 5.991 0.942 -9.309 1.00 23.10 C ATOM 1188 O LEU A 76 5.906 1.850 -10.136 1.00 51.31 O ATOM 1189 CB LEU A 76 4.389 -0.925 -9.863 1.00 75.02 C ATOM 1190 CG LEU A 76 4.093 -2.141 -10.765 1.00 42.30 C ATOM 1191 CD1 LEU A 76 4.794 -3.404 -10.272 1.00 1.05 C ATOM 1192 CD2 LEU A 76 2.595 -2.380 -10.850 1.00 23.13 C ATOM 0 H LEU A 76 6.042 -1.666 -7.983 1.00 25.53 H new ATOM 0 HA LEU A 76 6.336 -0.622 -10.716 1.00 45.03 H new ATOM 0 HB2 LEU A 76 4.005 -1.136 -8.865 1.00 75.02 H new ATOM 0 HB3 LEU A 76 3.831 -0.070 -10.245 1.00 75.02 H new ATOM 0 HG LEU A 76 4.483 -1.912 -11.757 1.00 42.30 H new ATOM 0 HD11 LEU A 76 4.557 -4.235 -10.937 1.00 1.05 H new ATOM 0 HD12 LEU A 76 5.872 -3.242 -10.263 1.00 1.05 H new ATOM 0 HD13 LEU A 76 4.454 -3.639 -9.263 1.00 1.05 H new ATOM 0 HD21 LEU A 76 2.400 -3.241 -11.489 1.00 23.13 H new ATOM 0 HD22 LEU A 76 2.200 -2.572 -9.852 1.00 23.13 H new ATOM 0 HD23 LEU A 76 2.109 -1.499 -11.269 1.00 23.13 H new ATOM 1204 N LEU A 77 6.214 1.169 -8.021 1.00 74.13 N ATOM 1205 CA LEU A 77 6.390 2.520 -7.491 1.00 4.03 C ATOM 1206 C LEU A 77 7.702 3.093 -7.993 1.00 12.53 C ATOM 1207 O LEU A 77 7.792 4.273 -8.333 1.00 52.15 O ATOM 1208 CB LEU A 77 6.364 2.491 -5.956 1.00 20.20 C ATOM 1209 CG LEU A 77 6.236 3.838 -5.245 1.00 40.51 C ATOM 1210 CD1 LEU A 77 5.663 3.634 -3.848 1.00 35.34 C ATOM 1211 CD2 LEU A 77 7.588 4.536 -5.150 1.00 23.33 C ATOM 0 H LEU A 77 6.278 0.432 -7.319 1.00 74.13 H new ATOM 0 HA LEU A 77 5.573 3.155 -7.835 1.00 4.03 H new ATOM 0 HB2 LEU A 77 5.532 1.860 -5.642 1.00 20.20 H new ATOM 0 HB3 LEU A 77 7.278 2.009 -5.609 1.00 20.20 H new ATOM 0 HG LEU A 77 5.563 4.468 -5.827 1.00 40.51 H new ATOM 0 HD11 LEU A 77 5.574 4.598 -3.347 1.00 35.34 H new ATOM 0 HD12 LEU A 77 4.679 3.172 -3.922 1.00 35.34 H new ATOM 0 HD13 LEU A 77 6.326 2.986 -3.274 1.00 35.34 H new ATOM 0 HD21 LEU A 77 7.469 5.492 -4.640 1.00 23.33 H new ATOM 0 HD22 LEU A 77 8.282 3.910 -4.590 1.00 23.33 H new ATOM 0 HD23 LEU A 77 7.981 4.706 -6.152 1.00 23.33 H new ATOM 1223 N ARG A 78 8.711 2.236 -8.072 1.00 32.12 N ATOM 1224 CA ARG A 78 10.023 2.628 -8.580 1.00 62.12 C ATOM 1225 C ARG A 78 9.979 2.888 -10.096 1.00 44.22 C ATOM 1226 O ARG A 78 11.017 2.958 -10.753 1.00 25.41 O ATOM 1227 CB ARG A 78 11.042 1.528 -8.260 1.00 0.33 C ATOM 1228 CG ARG A 78 10.753 0.219 -8.972 1.00 1.12 C ATOM 1229 CD ARG A 78 11.627 -0.914 -8.462 1.00 63.31 C ATOM 1230 NE ARG A 78 13.055 -0.632 -8.623 1.00 34.53 N ATOM 1231 CZ ARG A 78 13.930 -1.503 -9.129 1.00 4.41 C ATOM 1232 NH1 ARG A 78 13.514 -2.671 -9.600 1.00 52.22 N ATOM 1233 NH2 ARG A 78 15.222 -1.199 -9.177 1.00 44.30 N ATOM 0 H ARG A 78 8.647 1.258 -7.789 1.00 32.12 H new ATOM 0 HA ARG A 78 10.321 3.556 -8.093 1.00 62.12 H new ATOM 0 HB2 ARG A 78 12.038 1.873 -8.538 1.00 0.33 H new ATOM 0 HB3 ARG A 78 11.053 1.354 -7.184 1.00 0.33 H new ATOM 0 HG2 ARG A 78 9.704 -0.043 -8.836 1.00 1.12 H new ATOM 0 HG3 ARG A 78 10.913 0.346 -10.043 1.00 1.12 H new ATOM 0 HD2 ARG A 78 11.411 -1.090 -7.408 1.00 63.31 H new ATOM 0 HD3 ARG A 78 11.378 -1.831 -8.996 1.00 63.31 H new ATOM 0 HE ARG A 78 13.400 0.282 -8.332 1.00 34.53 H new ATOM 0 HH11 ARG A 78 12.522 -2.906 -9.576 1.00 52.22 H new ATOM 0 HH12 ARG A 78 14.186 -3.334 -9.986 1.00 52.22 H new ATOM 0 HH21 ARG A 78 15.547 -0.298 -8.827 1.00 44.30 H new ATOM 0 HH22 ARG A 78 15.889 -1.867 -9.564 1.00 44.30 H new ATOM 1247 N ARG A 79 8.771 3.012 -10.649 1.00 33.11 N ATOM 1248 CA ARG A 79 8.601 3.298 -12.070 1.00 52.35 C ATOM 1249 C ARG A 79 7.843 4.619 -12.263 1.00 34.44 C ATOM 1250 O ARG A 79 7.695 5.094 -13.389 1.00 64.32 O ATOM 1251 CB ARG A 79 7.834 2.167 -12.776 1.00 12.40 C ATOM 1252 CG ARG A 79 8.200 0.763 -12.312 1.00 43.13 C ATOM 1253 CD ARG A 79 9.676 0.451 -12.513 1.00 24.14 C ATOM 1254 NE ARG A 79 10.026 0.277 -13.922 1.00 34.52 N ATOM 1255 CZ ARG A 79 11.172 0.698 -14.451 1.00 74.34 C ATOM 1256 NH1 ARG A 79 12.015 1.416 -13.719 1.00 51.51 N ATOM 1257 NH2 ARG A 79 11.468 0.419 -15.716 1.00 70.13 N ATOM 0 H ARG A 79 7.897 2.918 -10.132 1.00 33.11 H new ATOM 0 HA ARG A 79 9.594 3.378 -12.511 1.00 52.35 H new ATOM 0 HB2 ARG A 79 6.766 2.319 -12.621 1.00 12.40 H new ATOM 0 HB3 ARG A 79 8.014 2.239 -13.849 1.00 12.40 H new ATOM 0 HG2 ARG A 79 7.949 0.655 -11.257 1.00 43.13 H new ATOM 0 HG3 ARG A 79 7.600 0.035 -12.858 1.00 43.13 H new ATOM 0 HD2 ARG A 79 10.275 1.258 -12.090 1.00 24.14 H new ATOM 0 HD3 ARG A 79 9.930 -0.456 -11.964 1.00 24.14 H new ATOM 0 HE ARG A 79 9.356 -0.192 -14.532 1.00 34.52 H new ATOM 0 HH11 ARG A 79 11.784 1.644 -12.752 1.00 51.51 H new ATOM 0 HH12 ARG A 79 12.894 1.739 -14.123 1.00 51.51 H new ATOM 0 HH21 ARG A 79 10.816 -0.120 -16.286 1.00 70.13 H new ATOM 0 HH22 ARG A 79 12.348 0.744 -16.118 1.00 70.13 H new ATOM 1271 N GLY A 80 7.371 5.211 -11.165 1.00 73.51 N ATOM 1272 CA GLY A 80 6.565 6.420 -11.264 1.00 33.45 C ATOM 1273 C GLY A 80 6.550 7.229 -9.977 1.00 32.30 C ATOM 1274 O GLY A 80 7.370 7.006 -9.091 1.00 3.31 O ATOM 0 H GLY A 80 7.531 4.878 -10.214 1.00 73.51 H new ATOM 0 HA2 GLY A 80 6.949 7.041 -12.073 1.00 33.45 H new ATOM 0 HA3 GLY A 80 5.543 6.148 -11.528 1.00 33.45 H new ATOM 1278 N ILE A 81 5.615 8.169 -9.877 1.00 73.24 N ATOM 1279 CA ILE A 81 5.502 9.012 -8.690 1.00 41.04 C ATOM 1280 C ILE A 81 4.356 8.542 -7.786 1.00 72.24 C ATOM 1281 O ILE A 81 3.190 8.912 -7.949 1.00 14.11 O ATOM 1282 CB ILE A 81 5.349 10.508 -9.065 1.00 41.52 C ATOM 1283 CG1 ILE A 81 5.100 11.363 -7.819 1.00 21.55 C ATOM 1284 CG2 ILE A 81 4.245 10.710 -10.094 1.00 31.33 C ATOM 1285 CD1 ILE A 81 6.227 11.302 -6.811 1.00 13.13 C ATOM 0 H ILE A 81 4.925 8.366 -10.602 1.00 73.24 H new ATOM 0 HA ILE A 81 6.431 8.914 -8.128 1.00 41.04 H new ATOM 0 HB ILE A 81 6.286 10.834 -9.516 1.00 41.52 H new ATOM 0 HG12 ILE A 81 4.950 12.399 -8.123 1.00 21.55 H new ATOM 0 HG13 ILE A 81 4.177 11.035 -7.341 1.00 21.55 H new ATOM 0 HG21 ILE A 81 4.163 11.770 -10.336 1.00 31.33 H new ATOM 0 HG22 ILE A 81 4.483 10.149 -10.998 1.00 31.33 H new ATOM 0 HG23 ILE A 81 3.298 10.356 -9.686 1.00 31.33 H new ATOM 0 HD11 ILE A 81 5.984 11.931 -5.955 1.00 13.13 H new ATOM 0 HD12 ILE A 81 6.363 10.273 -6.479 1.00 13.13 H new ATOM 0 HD13 ILE A 81 7.148 11.659 -7.273 1.00 13.13 H new ATOM 1297 N VAL A 82 4.706 7.704 -6.837 1.00 11.43 N ATOM 1298 CA VAL A 82 3.736 7.104 -5.945 1.00 63.43 C ATOM 1299 C VAL A 82 4.406 6.783 -4.613 1.00 32.31 C ATOM 1300 O VAL A 82 5.629 6.729 -4.541 1.00 12.11 O ATOM 1301 CB VAL A 82 3.102 5.840 -6.609 1.00 24.54 C ATOM 1302 CG1 VAL A 82 4.132 5.077 -7.427 1.00 21.53 C ATOM 1303 CG2 VAL A 82 2.457 4.908 -5.593 1.00 55.00 C ATOM 0 H VAL A 82 5.669 7.418 -6.661 1.00 11.43 H new ATOM 0 HA VAL A 82 2.923 7.804 -5.751 1.00 63.43 H new ATOM 0 HB VAL A 82 2.316 6.204 -7.270 1.00 24.54 H new ATOM 0 HG11 VAL A 82 3.663 4.202 -7.878 1.00 21.53 H new ATOM 0 HG12 VAL A 82 4.524 5.723 -8.212 1.00 21.53 H new ATOM 0 HG13 VAL A 82 4.948 4.758 -6.778 1.00 21.53 H new ATOM 0 HG21 VAL A 82 2.032 4.046 -6.108 1.00 55.00 H new ATOM 0 HG22 VAL A 82 3.209 4.570 -4.880 1.00 55.00 H new ATOM 0 HG23 VAL A 82 1.667 5.439 -5.062 1.00 55.00 H new ATOM 1313 N PHE A 83 3.623 6.642 -3.553 1.00 5.41 N ATOM 1314 CA PHE A 83 4.156 6.265 -2.254 1.00 54.23 C ATOM 1315 C PHE A 83 3.271 5.208 -1.600 1.00 34.22 C ATOM 1316 O PHE A 83 2.253 4.805 -2.167 1.00 70.12 O ATOM 1317 CB PHE A 83 4.278 7.489 -1.347 1.00 32.42 C ATOM 1318 CG PHE A 83 5.252 8.525 -1.835 1.00 55.02 C ATOM 1319 CD1 PHE A 83 6.614 8.356 -1.640 1.00 25.15 C ATOM 1320 CD2 PHE A 83 4.809 9.670 -2.479 1.00 1.33 C ATOM 1321 CE1 PHE A 83 7.516 9.308 -2.079 1.00 61.32 C ATOM 1322 CE2 PHE A 83 5.705 10.624 -2.921 1.00 74.42 C ATOM 1323 CZ PHE A 83 7.059 10.444 -2.720 1.00 70.51 C ATOM 0 H PHE A 83 2.613 6.784 -3.569 1.00 5.41 H new ATOM 0 HA PHE A 83 5.150 5.843 -2.401 1.00 54.23 H new ATOM 0 HB2 PHE A 83 3.296 7.950 -1.244 1.00 32.42 H new ATOM 0 HB3 PHE A 83 4.582 7.161 -0.353 1.00 32.42 H new ATOM 0 HD1 PHE A 83 6.975 7.470 -1.139 1.00 25.15 H new ATOM 0 HD2 PHE A 83 3.751 9.818 -2.637 1.00 1.33 H new ATOM 0 HE1 PHE A 83 8.575 9.164 -1.921 1.00 61.32 H new ATOM 0 HE2 PHE A 83 5.347 11.510 -3.424 1.00 74.42 H new ATOM 0 HZ PHE A 83 7.760 11.190 -3.063 1.00 70.51 H new ATOM 1333 N ALA A 84 3.664 4.748 -0.416 1.00 44.12 N ATOM 1334 CA ALA A 84 2.884 3.758 0.321 1.00 20.11 C ATOM 1335 C ALA A 84 3.375 3.642 1.755 1.00 22.33 C ATOM 1336 O ALA A 84 4.575 3.786 2.025 1.00 52.53 O ATOM 1337 CB ALA A 84 2.941 2.405 -0.364 1.00 25.23 C ATOM 0 H ALA A 84 4.519 5.045 0.054 1.00 44.12 H new ATOM 0 HA ALA A 84 1.847 4.094 0.336 1.00 20.11 H new ATOM 0 HB1 ALA A 84 2.352 1.685 0.204 1.00 25.23 H new ATOM 0 HB2 ALA A 84 2.536 2.490 -1.372 1.00 25.23 H new ATOM 0 HB3 ALA A 84 3.976 2.067 -0.416 1.00 25.23 H new ATOM 1343 N MET A 85 2.458 3.373 2.673 1.00 21.22 N ATOM 1344 CA MET A 85 2.810 3.341 4.088 1.00 14.44 C ATOM 1345 C MET A 85 1.997 2.306 4.868 1.00 70.43 C ATOM 1346 O MET A 85 0.888 1.935 4.468 1.00 65.11 O ATOM 1347 CB MET A 85 2.597 4.722 4.693 1.00 14.22 C ATOM 1348 CG MET A 85 1.141 5.121 4.746 1.00 64.32 C ATOM 1349 SD MET A 85 0.876 6.730 5.498 1.00 45.42 S ATOM 1350 CE MET A 85 -0.890 6.640 5.711 1.00 54.23 C ATOM 0 H MET A 85 1.478 3.176 2.470 1.00 21.22 H new ATOM 0 HA MET A 85 3.858 3.051 4.160 1.00 14.44 H new ATOM 0 HB2 MET A 85 3.010 4.739 5.701 1.00 14.22 H new ATOM 0 HB3 MET A 85 3.150 5.458 4.109 1.00 14.22 H new ATOM 0 HG2 MET A 85 0.736 5.129 3.734 1.00 64.32 H new ATOM 0 HG3 MET A 85 0.585 4.369 5.306 1.00 64.32 H new ATOM 0 HE1 MET A 85 -1.246 7.554 6.187 1.00 54.23 H new ATOM 0 HE2 MET A 85 -1.369 6.528 4.738 1.00 54.23 H new ATOM 0 HE3 MET A 85 -1.138 5.784 6.338 1.00 54.23 H new ATOM 1360 N ALA A 86 2.558 1.865 5.991 1.00 72.54 N ATOM 1361 CA ALA A 86 1.921 0.883 6.863 1.00 73.34 C ATOM 1362 C ALA A 86 1.833 1.405 8.301 1.00 2.14 C ATOM 1363 O ALA A 86 1.905 2.620 8.529 1.00 34.02 O ATOM 1364 CB ALA A 86 2.702 -0.414 6.813 1.00 5.02 C ATOM 0 H ALA A 86 3.470 2.180 6.322 1.00 72.54 H new ATOM 0 HA ALA A 86 0.904 0.704 6.513 1.00 73.34 H new ATOM 0 HB1 ALA A 86 2.228 -1.149 7.464 1.00 5.02 H new ATOM 0 HB2 ALA A 86 2.717 -0.791 5.790 1.00 5.02 H new ATOM 0 HB3 ALA A 86 3.724 -0.237 7.149 1.00 5.02 H new ATOM 1370 N ARG A 87 1.682 0.498 9.276 1.00 64.43 N ATOM 1371 CA ARG A 87 1.506 0.921 10.666 1.00 15.02 C ATOM 1372 C ARG A 87 1.810 -0.182 11.684 1.00 11.21 C ATOM 1373 O ARG A 87 2.569 0.038 12.627 1.00 42.33 O ATOM 1374 CB ARG A 87 0.078 1.426 10.903 1.00 65.15 C ATOM 1375 CG ARG A 87 -0.999 0.366 10.694 1.00 54.21 C ATOM 1376 CD ARG A 87 -2.252 0.673 11.496 1.00 13.33 C ATOM 1377 NE ARG A 87 -1.984 0.742 12.930 1.00 45.02 N ATOM 1378 CZ ARG A 87 -2.058 1.865 13.643 1.00 50.13 C ATOM 1379 NH1 ARG A 87 -2.380 3.014 13.062 1.00 64.41 N ATOM 1380 NH2 ARG A 87 -1.816 1.844 14.941 1.00 64.24 N ATOM 0 H ARG A 87 1.678 -0.512 9.130 1.00 64.43 H new ATOM 0 HA ARG A 87 2.228 1.723 10.820 1.00 15.02 H new ATOM 0 HB2 ARG A 87 0.003 1.809 11.921 1.00 65.15 H new ATOM 0 HB3 ARG A 87 -0.116 2.263 10.233 1.00 65.15 H new ATOM 0 HG2 ARG A 87 -1.250 0.306 9.635 1.00 54.21 H new ATOM 0 HG3 ARG A 87 -0.611 -0.610 10.985 1.00 54.21 H new ATOM 0 HD2 ARG A 87 -2.673 1.621 11.161 1.00 13.33 H new ATOM 0 HD3 ARG A 87 -3.002 -0.095 11.304 1.00 13.33 H new ATOM 0 HE ARG A 87 -1.726 -0.118 13.413 1.00 45.02 H new ATOM 0 HH11 ARG A 87 -2.573 3.043 12.061 1.00 64.41 H new ATOM 0 HH12 ARG A 87 -2.434 3.868 13.617 1.00 64.41 H new ATOM 0 HH21 ARG A 87 -1.572 0.967 15.400 1.00 64.24 H new ATOM 0 HH22 ARG A 87 -1.873 2.705 15.484 1.00 64.24 H new ATOM 1394 N VAL A 88 1.225 -1.361 11.495 1.00 65.13 N ATOM 1395 CA VAL A 88 1.156 -2.357 12.558 1.00 73.30 C ATOM 1396 C VAL A 88 2.517 -2.995 12.838 1.00 15.53 C ATOM 1397 O VAL A 88 3.326 -3.193 11.933 1.00 15.12 O ATOM 1398 CB VAL A 88 0.097 -3.441 12.238 1.00 2.24 C ATOM 1399 CG1 VAL A 88 0.450 -4.205 10.974 1.00 50.33 C ATOM 1400 CG2 VAL A 88 -0.079 -4.397 13.408 1.00 75.21 C ATOM 0 H VAL A 88 0.793 -1.649 10.617 1.00 65.13 H new ATOM 0 HA VAL A 88 0.850 -1.834 13.464 1.00 73.30 H new ATOM 0 HB VAL A 88 -0.851 -2.930 12.068 1.00 2.24 H new ATOM 0 HG11 VAL A 88 -0.314 -4.958 10.779 1.00 50.33 H new ATOM 0 HG12 VAL A 88 0.501 -3.513 10.133 1.00 50.33 H new ATOM 0 HG13 VAL A 88 1.416 -4.693 11.102 1.00 50.33 H new ATOM 0 HG21 VAL A 88 -0.828 -5.147 13.155 1.00 75.21 H new ATOM 0 HG22 VAL A 88 0.870 -4.889 13.622 1.00 75.21 H new ATOM 0 HG23 VAL A 88 -0.405 -3.840 14.287 1.00 75.21 H new ATOM 1410 N LYS A 89 2.741 -3.330 14.109 1.00 63.14 N ATOM 1411 CA LYS A 89 4.028 -3.847 14.583 1.00 24.35 C ATOM 1412 C LYS A 89 4.316 -5.280 14.126 1.00 50.13 C ATOM 1413 O LYS A 89 5.214 -5.935 14.652 1.00 30.01 O ATOM 1414 CB LYS A 89 4.106 -3.741 16.113 1.00 73.15 C ATOM 1415 CG LYS A 89 2.772 -3.903 16.840 1.00 22.32 C ATOM 1416 CD LYS A 89 2.539 -5.323 17.350 1.00 52.42 C ATOM 1417 CE LYS A 89 2.019 -6.255 16.266 1.00 1.55 C ATOM 1418 NZ LYS A 89 1.678 -7.594 16.810 1.00 32.13 N ATOM 0 H LYS A 89 2.035 -3.251 14.841 1.00 63.14 H new ATOM 0 HA LYS A 89 4.801 -3.226 14.130 1.00 24.35 H new ATOM 0 HB2 LYS A 89 4.797 -4.500 16.480 1.00 73.15 H new ATOM 0 HB3 LYS A 89 4.529 -2.771 16.374 1.00 73.15 H new ATOM 0 HG2 LYS A 89 2.736 -3.210 17.681 1.00 22.32 H new ATOM 0 HG3 LYS A 89 1.961 -3.627 16.166 1.00 22.32 H new ATOM 0 HD2 LYS A 89 3.473 -5.720 17.748 1.00 52.42 H new ATOM 0 HD3 LYS A 89 1.826 -5.297 18.174 1.00 52.42 H new ATOM 0 HE2 LYS A 89 1.137 -5.816 15.801 1.00 1.55 H new ATOM 0 HE3 LYS A 89 2.772 -6.360 15.485 1.00 1.55 H new ATOM 0 HZ1 LYS A 89 1.327 -8.202 16.042 1.00 32.13 H new ATOM 0 HZ2 LYS A 89 2.526 -8.024 17.232 1.00 32.13 H new ATOM 0 HZ3 LYS A 89 0.942 -7.496 17.538 1.00 32.13 H new ATOM 1432 N GLN A 90 3.571 -5.760 13.144 1.00 22.23 N ATOM 1433 CA GLN A 90 3.855 -7.057 12.549 1.00 52.11 C ATOM 1434 C GLN A 90 4.302 -6.884 11.103 1.00 55.11 C ATOM 1435 O GLN A 90 5.363 -7.379 10.702 1.00 2.45 O ATOM 1436 CB GLN A 90 2.636 -7.990 12.628 1.00 44.22 C ATOM 1437 CG GLN A 90 1.379 -7.435 11.974 1.00 64.32 C ATOM 1438 CD GLN A 90 0.262 -8.454 11.876 1.00 23.25 C ATOM 1439 OE1 GLN A 90 -0.559 -8.586 12.783 1.00 20.14 O ATOM 1440 NE2 GLN A 90 0.222 -9.180 10.773 1.00 64.32 N ATOM 0 H GLN A 90 2.769 -5.274 12.743 1.00 22.23 H new ATOM 0 HA GLN A 90 4.662 -7.519 13.117 1.00 52.11 H new ATOM 0 HB2 GLN A 90 2.888 -8.939 12.155 1.00 44.22 H new ATOM 0 HB3 GLN A 90 2.423 -8.202 13.676 1.00 44.22 H new ATOM 0 HG2 GLN A 90 1.029 -6.575 12.544 1.00 64.32 H new ATOM 0 HG3 GLN A 90 1.625 -7.076 10.974 1.00 64.32 H new ATOM 0 HE21 GLN A 90 0.922 -9.040 10.044 1.00 64.32 H new ATOM 0 HE22 GLN A 90 -0.509 -9.881 10.650 1.00 64.32 H new ATOM 1449 N ASP A 91 3.520 -6.126 10.339 1.00 50.43 N ATOM 1450 CA ASP A 91 3.737 -6.013 8.910 1.00 31.44 C ATOM 1451 C ASP A 91 5.051 -5.307 8.618 1.00 30.43 C ATOM 1452 O ASP A 91 5.798 -5.741 7.753 1.00 71.32 O ATOM 1453 CB ASP A 91 2.554 -5.302 8.219 1.00 2.24 C ATOM 1454 CG ASP A 91 2.760 -3.811 8.002 1.00 51.51 C ATOM 1455 OD1 ASP A 91 3.377 -3.445 6.985 1.00 20.13 O ATOM 1456 OD2 ASP A 91 2.285 -3.004 8.840 1.00 3.44 O ATOM 0 H ASP A 91 2.732 -5.583 10.691 1.00 50.43 H new ATOM 0 HA ASP A 91 3.798 -7.021 8.499 1.00 31.44 H new ATOM 0 HB2 ASP A 91 2.374 -5.776 7.254 1.00 2.24 H new ATOM 0 HB3 ASP A 91 1.656 -5.449 8.819 1.00 2.24 H new ATOM 1461 N LEU A 92 5.365 -4.256 9.367 1.00 51.13 N ATOM 1462 CA LEU A 92 6.574 -3.490 9.095 1.00 30.53 C ATOM 1463 C LEU A 92 7.822 -4.351 9.275 1.00 0.22 C ATOM 1464 O LEU A 92 8.816 -4.158 8.584 1.00 3.30 O ATOM 1465 CB LEU A 92 6.635 -2.186 9.935 1.00 13.33 C ATOM 1466 CG LEU A 92 7.069 -2.255 11.424 1.00 22.40 C ATOM 1467 CD1 LEU A 92 6.343 -3.343 12.189 1.00 54.13 C ATOM 1468 CD2 LEU A 92 8.580 -2.404 11.564 1.00 15.11 C ATOM 0 H LEU A 92 4.810 -3.920 10.154 1.00 51.13 H new ATOM 0 HA LEU A 92 6.541 -3.182 8.050 1.00 30.53 H new ATOM 0 HB2 LEU A 92 7.316 -1.502 9.428 1.00 13.33 H new ATOM 0 HB3 LEU A 92 5.645 -1.731 9.904 1.00 13.33 H new ATOM 0 HG LEU A 92 6.782 -1.303 11.871 1.00 22.40 H new ATOM 0 HD11 LEU A 92 6.683 -3.349 13.225 1.00 54.13 H new ATOM 0 HD12 LEU A 92 5.270 -3.154 12.161 1.00 54.13 H new ATOM 0 HD13 LEU A 92 6.553 -4.310 11.733 1.00 54.13 H new ATOM 0 HD21 LEU A 92 8.845 -2.449 12.620 1.00 15.11 H new ATOM 0 HD22 LEU A 92 8.903 -3.320 11.070 1.00 15.11 H new ATOM 0 HD23 LEU A 92 9.074 -1.549 11.102 1.00 15.11 H new ATOM 1480 N ARG A 93 7.754 -5.334 10.167 1.00 51.04 N ATOM 1481 CA ARG A 93 8.909 -6.169 10.438 1.00 5.34 C ATOM 1482 C ARG A 93 9.126 -7.122 9.282 1.00 64.52 C ATOM 1483 O ARG A 93 10.193 -7.146 8.666 1.00 13.54 O ATOM 1484 CB ARG A 93 8.736 -6.967 11.737 1.00 51.33 C ATOM 1485 CG ARG A 93 8.587 -6.109 12.981 1.00 41.55 C ATOM 1486 CD ARG A 93 8.726 -6.940 14.249 1.00 54.32 C ATOM 1487 NE ARG A 93 10.078 -7.487 14.397 1.00 50.03 N ATOM 1488 CZ ARG A 93 10.584 -7.947 15.546 1.00 45.33 C ATOM 1489 NH1 ARG A 93 9.830 -8.004 16.638 1.00 25.30 N ATOM 1490 NH2 ARG A 93 11.841 -8.373 15.586 1.00 43.15 N ATOM 0 H ARG A 93 6.920 -5.567 10.706 1.00 51.04 H new ATOM 0 HA ARG A 93 9.776 -5.519 10.556 1.00 5.34 H new ATOM 0 HB2 ARG A 93 7.858 -7.606 11.643 1.00 51.33 H new ATOM 0 HB3 ARG A 93 9.596 -7.624 11.864 1.00 51.33 H new ATOM 0 HG2 ARG A 93 9.342 -5.323 12.975 1.00 41.55 H new ATOM 0 HG3 ARG A 93 7.614 -5.617 12.971 1.00 41.55 H new ATOM 0 HD2 ARG A 93 8.487 -6.323 15.115 1.00 54.32 H new ATOM 0 HD3 ARG A 93 8.004 -7.756 14.229 1.00 54.32 H new ATOM 0 HE ARG A 93 10.672 -7.519 13.569 1.00 50.03 H new ATOM 0 HH11 ARG A 93 8.858 -7.696 16.603 1.00 25.30 H new ATOM 0 HH12 ARG A 93 10.223 -8.356 17.511 1.00 25.30 H new ATOM 0 HH21 ARG A 93 12.415 -8.348 14.743 1.00 43.15 H new ATOM 0 HH22 ARG A 93 12.233 -8.725 16.460 1.00 43.15 H new ATOM 1504 N GLU A 94 8.093 -7.878 8.960 1.00 22.32 N ATOM 1505 CA GLU A 94 8.223 -8.909 7.952 1.00 33.32 C ATOM 1506 C GLU A 94 8.211 -8.335 6.529 1.00 5.03 C ATOM 1507 O GLU A 94 8.817 -8.917 5.633 1.00 53.52 O ATOM 1508 CB GLU A 94 7.154 -9.989 8.146 1.00 11.15 C ATOM 1509 CG GLU A 94 5.745 -9.460 8.350 1.00 42.34 C ATOM 1510 CD GLU A 94 4.757 -10.572 8.644 1.00 21.04 C ATOM 1511 OE1 GLU A 94 4.192 -11.144 7.689 1.00 43.11 O ATOM 1512 OE2 GLU A 94 4.548 -10.894 9.829 1.00 1.11 O ATOM 0 H GLU A 94 7.166 -7.798 9.377 1.00 22.32 H new ATOM 0 HA GLU A 94 9.199 -9.377 8.080 1.00 33.32 H new ATOM 0 HB2 GLU A 94 7.158 -10.645 7.276 1.00 11.15 H new ATOM 0 HB3 GLU A 94 7.426 -10.599 9.007 1.00 11.15 H new ATOM 0 HG2 GLU A 94 5.742 -8.745 9.173 1.00 42.34 H new ATOM 0 HG3 GLU A 94 5.428 -8.920 7.458 1.00 42.34 H new ATOM 1519 N SER A 95 7.552 -7.196 6.316 1.00 45.04 N ATOM 1520 CA SER A 95 7.557 -6.556 4.999 1.00 61.30 C ATOM 1521 C SER A 95 8.923 -5.942 4.704 1.00 40.52 C ATOM 1522 O SER A 95 9.451 -6.089 3.600 1.00 41.33 O ATOM 1523 CB SER A 95 6.468 -5.482 4.892 1.00 23.32 C ATOM 1524 OG SER A 95 5.179 -6.040 5.072 1.00 0.44 O ATOM 0 H SER A 95 7.014 -6.702 7.028 1.00 45.04 H new ATOM 0 HA SER A 95 7.347 -7.329 4.260 1.00 61.30 H new ATOM 0 HB2 SER A 95 6.641 -4.709 5.641 1.00 23.32 H new ATOM 0 HB3 SER A 95 6.525 -4.999 3.917 1.00 23.32 H new ATOM 0 HG SER A 95 4.979 -6.100 6.030 1.00 0.44 H new ATOM 1530 N LEU A 96 9.504 -5.267 5.697 1.00 22.40 N ATOM 1531 CA LEU A 96 10.852 -4.720 5.560 1.00 64.22 C ATOM 1532 C LEU A 96 11.859 -5.852 5.382 1.00 11.54 C ATOM 1533 O LEU A 96 12.909 -5.681 4.765 1.00 4.14 O ATOM 1534 CB LEU A 96 11.215 -3.875 6.787 1.00 11.31 C ATOM 1535 CG LEU A 96 10.862 -2.377 6.712 1.00 31.10 C ATOM 1536 CD1 LEU A 96 11.784 -1.658 5.740 1.00 14.13 C ATOM 1537 CD2 LEU A 96 9.408 -2.167 6.307 1.00 22.34 C ATOM 0 H LEU A 96 9.064 -5.087 6.600 1.00 22.40 H new ATOM 0 HA LEU A 96 10.881 -4.079 4.679 1.00 64.22 H new ATOM 0 HB2 LEU A 96 10.715 -4.301 7.656 1.00 11.31 H new ATOM 0 HB3 LEU A 96 12.287 -3.966 6.960 1.00 11.31 H new ATOM 0 HG LEU A 96 11.000 -1.957 7.708 1.00 31.10 H new ATOM 0 HD11 LEU A 96 11.519 -0.601 5.701 1.00 14.13 H new ATOM 0 HD12 LEU A 96 12.816 -1.761 6.074 1.00 14.13 H new ATOM 0 HD13 LEU A 96 11.679 -2.095 4.747 1.00 14.13 H new ATOM 0 HD21 LEU A 96 9.193 -1.099 6.264 1.00 22.34 H new ATOM 0 HD22 LEU A 96 9.235 -2.612 5.327 1.00 22.34 H new ATOM 0 HD23 LEU A 96 8.754 -2.639 7.040 1.00 22.34 H new ATOM 1549 N ARG A 97 11.523 -7.007 5.935 1.00 20.24 N ATOM 1550 CA ARG A 97 12.344 -8.198 5.794 1.00 14.21 C ATOM 1551 C ARG A 97 12.175 -8.792 4.392 1.00 72.34 C ATOM 1552 O ARG A 97 13.150 -9.184 3.750 1.00 51.20 O ATOM 1553 CB ARG A 97 11.932 -9.222 6.858 1.00 20.44 C ATOM 1554 CG ARG A 97 13.060 -10.101 7.380 1.00 74.13 C ATOM 1555 CD ARG A 97 13.657 -10.984 6.300 1.00 14.21 C ATOM 1556 NE ARG A 97 14.427 -12.081 6.877 1.00 52.11 N ATOM 1557 CZ ARG A 97 15.722 -12.291 6.659 1.00 12.22 C ATOM 1558 NH1 ARG A 97 16.425 -11.451 5.904 1.00 23.05 N ATOM 1559 NH2 ARG A 97 16.319 -13.333 7.219 1.00 20.25 N ATOM 0 H ARG A 97 10.679 -7.144 6.491 1.00 20.24 H new ATOM 0 HA ARG A 97 13.393 -7.936 5.932 1.00 14.21 H new ATOM 0 HB2 ARG A 97 11.488 -8.690 7.699 1.00 20.44 H new ATOM 0 HB3 ARG A 97 11.156 -9.864 6.441 1.00 20.44 H new ATOM 0 HG2 ARG A 97 13.842 -9.470 7.802 1.00 74.13 H new ATOM 0 HG3 ARG A 97 12.684 -10.727 8.189 1.00 74.13 H new ATOM 0 HD2 ARG A 97 12.860 -11.386 5.674 1.00 14.21 H new ATOM 0 HD3 ARG A 97 14.300 -10.387 5.653 1.00 14.21 H new ATOM 0 HE ARG A 97 13.938 -12.732 7.491 1.00 52.11 H new ATOM 0 HH11 ARG A 97 15.971 -10.638 5.487 1.00 23.05 H new ATOM 0 HH12 ARG A 97 17.418 -11.620 5.742 1.00 23.05 H new ATOM 0 HH21 ARG A 97 15.786 -13.968 7.813 1.00 20.25 H new ATOM 0 HH22 ARG A 97 17.312 -13.500 7.056 1.00 20.25 H new ATOM 1573 N ALA A 98 10.931 -8.841 3.925 1.00 1.11 N ATOM 1574 CA ALA A 98 10.602 -9.457 2.640 1.00 1.42 C ATOM 1575 C ALA A 98 11.240 -8.714 1.471 1.00 33.35 C ATOM 1576 O ALA A 98 11.989 -9.305 0.691 1.00 42.31 O ATOM 1577 CB ALA A 98 9.092 -9.525 2.458 1.00 42.53 C ATOM 0 H ALA A 98 10.126 -8.458 4.421 1.00 1.11 H new ATOM 0 HA ALA A 98 11.010 -10.468 2.649 1.00 1.42 H new ATOM 0 HB1 ALA A 98 8.862 -9.986 1.497 1.00 42.53 H new ATOM 0 HB2 ALA A 98 8.655 -10.120 3.260 1.00 42.53 H new ATOM 0 HB3 ALA A 98 8.676 -8.518 2.486 1.00 42.53 H new ATOM 1583 N ALA A 99 10.940 -7.426 1.348 1.00 31.13 N ATOM 1584 CA ALA A 99 11.464 -6.630 0.246 1.00 53.34 C ATOM 1585 C ALA A 99 12.972 -6.456 0.378 1.00 60.14 C ATOM 1586 O ALA A 99 13.447 -5.644 1.165 1.00 52.10 O ATOM 1587 CB ALA A 99 10.774 -5.275 0.178 1.00 41.45 C ATOM 0 H ALA A 99 10.340 -6.913 1.994 1.00 31.13 H new ATOM 0 HA ALA A 99 11.259 -7.163 -0.682 1.00 53.34 H new ATOM 0 HB1 ALA A 99 11.183 -4.700 -0.653 1.00 41.45 H new ATOM 0 HB2 ALA A 99 9.704 -5.419 0.028 1.00 41.45 H new ATOM 0 HB3 ALA A 99 10.940 -4.735 1.110 1.00 41.45 H new ATOM 1593 N SER A 100 13.717 -7.229 -0.395 1.00 42.33 N ATOM 1594 CA SER A 100 15.170 -7.219 -0.314 1.00 61.53 C ATOM 1595 C SER A 100 15.770 -6.298 -1.375 1.00 4.42 C ATOM 1596 O SER A 100 16.885 -6.517 -1.848 1.00 65.03 O ATOM 1597 CB SER A 100 15.697 -8.642 -0.482 1.00 71.22 C ATOM 1598 OG SER A 100 15.068 -9.524 0.435 1.00 33.13 O ATOM 0 H SER A 100 13.339 -7.874 -1.089 1.00 42.33 H new ATOM 0 HA SER A 100 15.466 -6.837 0.663 1.00 61.53 H new ATOM 0 HB2 SER A 100 15.518 -8.983 -1.502 1.00 71.22 H new ATOM 0 HB3 SER A 100 16.776 -8.656 -0.325 1.00 71.22 H new ATOM 0 HG SER A 100 15.418 -10.431 0.310 1.00 33.13 H new ATOM 1604 N LEU A 101 15.025 -5.261 -1.725 1.00 43.31 N ATOM 1605 CA LEU A 101 15.469 -4.289 -2.714 1.00 23.41 C ATOM 1606 C LEU A 101 15.707 -2.942 -2.031 1.00 41.14 C ATOM 1607 O LEU A 101 15.980 -1.926 -2.676 1.00 23.34 O ATOM 1608 CB LEU A 101 14.405 -4.158 -3.808 1.00 24.44 C ATOM 1609 CG LEU A 101 14.822 -3.362 -5.044 1.00 43.54 C ATOM 1610 CD1 LEU A 101 15.926 -4.084 -5.801 1.00 60.03 C ATOM 1611 CD2 LEU A 101 13.623 -3.126 -5.946 1.00 32.34 C ATOM 0 H LEU A 101 14.102 -5.069 -1.335 1.00 43.31 H new ATOM 0 HA LEU A 101 16.402 -4.620 -3.169 1.00 23.41 H new ATOM 0 HB2 LEU A 101 14.111 -5.159 -4.125 1.00 24.44 H new ATOM 0 HB3 LEU A 101 13.522 -3.688 -3.376 1.00 24.44 H new ATOM 0 HG LEU A 101 15.209 -2.396 -4.719 1.00 43.54 H new ATOM 0 HD11 LEU A 101 16.208 -3.500 -6.677 1.00 60.03 H new ATOM 0 HD12 LEU A 101 16.793 -4.206 -5.152 1.00 60.03 H new ATOM 0 HD13 LEU A 101 15.569 -5.064 -6.117 1.00 60.03 H new ATOM 0 HD21 LEU A 101 13.934 -2.558 -6.823 1.00 32.34 H new ATOM 0 HD22 LEU A 101 13.211 -4.084 -6.262 1.00 32.34 H new ATOM 0 HD23 LEU A 101 12.863 -2.566 -5.402 1.00 32.34 H new ATOM 1623 N LEU A 102 15.645 -2.962 -0.707 1.00 35.34 N ATOM 1624 CA LEU A 102 15.677 -1.745 0.097 1.00 44.35 C ATOM 1625 C LEU A 102 17.072 -1.146 0.159 1.00 71.33 C ATOM 1626 O LEU A 102 17.279 -0.103 0.771 1.00 14.41 O ATOM 1627 CB LEU A 102 15.191 -2.039 1.513 1.00 12.30 C ATOM 1628 CG LEU A 102 13.777 -2.593 1.603 1.00 5.44 C ATOM 1629 CD1 LEU A 102 13.440 -2.941 3.040 1.00 0.32 C ATOM 1630 CD2 LEU A 102 12.778 -1.597 1.047 1.00 21.32 C ATOM 0 H LEU A 102 15.571 -3.819 -0.159 1.00 35.34 H new ATOM 0 HA LEU A 102 15.016 -1.022 -0.381 1.00 44.35 H new ATOM 0 HB2 LEU A 102 15.875 -2.751 1.976 1.00 12.30 H new ATOM 0 HB3 LEU A 102 15.244 -1.121 2.098 1.00 12.30 H new ATOM 0 HG LEU A 102 13.721 -3.502 1.004 1.00 5.44 H new ATOM 0 HD11 LEU A 102 12.425 -3.336 3.090 1.00 0.32 H new ATOM 0 HD12 LEU A 102 14.140 -3.691 3.406 1.00 0.32 H new ATOM 0 HD13 LEU A 102 13.512 -2.046 3.658 1.00 0.32 H new ATOM 0 HD21 LEU A 102 11.772 -2.011 1.120 1.00 21.32 H new ATOM 0 HD22 LEU A 102 12.831 -0.670 1.619 1.00 21.32 H new ATOM 0 HD23 LEU A 102 13.011 -1.392 0.002 1.00 21.32 H new ATOM 1642 N ASP A 103 18.025 -1.798 -0.473 1.00 75.32 N ATOM 1643 CA ASP A 103 19.390 -1.314 -0.465 1.00 65.55 C ATOM 1644 C ASP A 103 19.613 -0.326 -1.602 1.00 72.12 C ATOM 1645 O ASP A 103 20.725 0.150 -1.815 1.00 62.40 O ATOM 1646 CB ASP A 103 20.373 -2.477 -0.563 1.00 34.35 C ATOM 1647 CG ASP A 103 20.238 -3.444 0.596 1.00 45.44 C ATOM 1648 OD1 ASP A 103 20.479 -3.041 1.755 1.00 12.33 O ATOM 1649 OD2 ASP A 103 19.872 -4.613 0.356 1.00 13.54 O ATOM 0 H ASP A 103 17.881 -2.661 -0.997 1.00 75.32 H new ATOM 0 HA ASP A 103 19.565 -0.797 0.478 1.00 65.55 H new ATOM 0 HB2 ASP A 103 20.209 -3.010 -1.499 1.00 34.35 H new ATOM 0 HB3 ASP A 103 21.391 -2.088 -0.592 1.00 34.35 H new ATOM 1654 N LYS A 104 18.547 -0.028 -2.335 1.00 64.44 N ATOM 1655 CA LYS A 104 18.605 0.991 -3.374 1.00 73.20 C ATOM 1656 C LYS A 104 17.335 1.836 -3.400 1.00 12.42 C ATOM 1657 O LYS A 104 17.378 3.001 -3.786 1.00 50.43 O ATOM 1658 CB LYS A 104 18.878 0.368 -4.743 1.00 71.00 C ATOM 1659 CG LYS A 104 17.905 -0.731 -5.142 1.00 20.24 C ATOM 1660 CD LYS A 104 18.495 -1.598 -6.237 1.00 2.21 C ATOM 1661 CE LYS A 104 19.701 -2.368 -5.728 1.00 63.22 C ATOM 1662 NZ LYS A 104 20.424 -3.072 -6.821 1.00 21.01 N ATOM 0 H LYS A 104 17.636 -0.475 -2.230 1.00 64.44 H new ATOM 0 HA LYS A 104 19.436 1.654 -3.135 1.00 73.20 H new ATOM 0 HB2 LYS A 104 18.848 1.154 -5.498 1.00 71.00 H new ATOM 0 HB3 LYS A 104 19.889 -0.040 -4.747 1.00 71.00 H new ATOM 0 HG2 LYS A 104 17.667 -1.345 -4.274 1.00 20.24 H new ATOM 0 HG3 LYS A 104 16.970 -0.289 -5.486 1.00 20.24 H new ATOM 0 HD2 LYS A 104 17.740 -2.295 -6.601 1.00 2.21 H new ATOM 0 HD3 LYS A 104 18.787 -0.975 -7.082 1.00 2.21 H new ATOM 0 HE2 LYS A 104 20.383 -1.681 -5.228 1.00 63.22 H new ATOM 0 HE3 LYS A 104 19.377 -3.095 -4.983 1.00 63.22 H new ATOM 0 HZ1 LYS A 104 21.239 -3.583 -6.425 1.00 21.01 H new ATOM 0 HZ2 LYS A 104 19.782 -3.748 -7.283 1.00 21.01 H new ATOM 0 HZ3 LYS A 104 20.757 -2.378 -7.520 1.00 21.01 H new ATOM 1676 N ILE A 105 16.205 1.260 -2.997 1.00 32.30 N ATOM 1677 CA ILE A 105 14.990 2.054 -2.842 1.00 4.12 C ATOM 1678 C ILE A 105 14.982 2.733 -1.478 1.00 53.10 C ATOM 1679 O ILE A 105 14.289 3.728 -1.274 1.00 30.25 O ATOM 1680 CB ILE A 105 13.702 1.219 -3.035 1.00 35.42 C ATOM 1681 CG1 ILE A 105 13.705 -0.014 -2.132 1.00 2.01 C ATOM 1682 CG2 ILE A 105 13.551 0.821 -4.497 1.00 52.03 C ATOM 1683 CD1 ILE A 105 12.504 -0.915 -2.332 1.00 71.14 C ATOM 0 H ILE A 105 16.105 0.269 -2.776 1.00 32.30 H new ATOM 0 HA ILE A 105 14.996 2.809 -3.628 1.00 4.12 H new ATOM 0 HB ILE A 105 12.847 1.833 -2.751 1.00 35.42 H new ATOM 0 HG12 ILE A 105 14.614 -0.587 -2.317 1.00 2.01 H new ATOM 0 HG13 ILE A 105 13.738 0.308 -1.091 1.00 2.01 H new ATOM 0 HG21 ILE A 105 12.641 0.234 -4.622 1.00 52.03 H new ATOM 0 HG22 ILE A 105 13.492 1.718 -5.114 1.00 52.03 H new ATOM 0 HG23 ILE A 105 14.412 0.226 -4.803 1.00 52.03 H new ATOM 0 HD11 ILE A 105 12.574 -1.769 -1.658 1.00 71.14 H new ATOM 0 HD12 ILE A 105 11.592 -0.358 -2.119 1.00 71.14 H new ATOM 0 HD13 ILE A 105 12.481 -1.267 -3.363 1.00 71.14 H new ATOM 1695 N GLY A 106 15.789 2.194 -0.561 1.00 34.24 N ATOM 1696 CA GLY A 106 15.962 2.789 0.756 1.00 30.03 C ATOM 1697 C GLY A 106 14.657 3.051 1.476 1.00 13.41 C ATOM 1698 O GLY A 106 13.918 2.119 1.811 1.00 20.31 O ATOM 0 H GLY A 106 16.332 1.344 -0.712 1.00 34.24 H new ATOM 0 HA2 GLY A 106 16.578 2.129 1.366 1.00 30.03 H new ATOM 0 HA3 GLY A 106 16.506 3.728 0.653 1.00 30.03 H new ATOM 1702 N GLU A 107 14.366 4.328 1.698 1.00 3.01 N ATOM 1703 CA GLU A 107 13.145 4.734 2.373 1.00 73.44 C ATOM 1704 C GLU A 107 12.010 4.826 1.363 1.00 54.43 C ATOM 1705 O GLU A 107 11.503 5.907 1.062 1.00 73.11 O ATOM 1706 CB GLU A 107 13.352 6.073 3.085 1.00 55.41 C ATOM 1707 CG GLU A 107 14.549 6.075 4.022 1.00 4.41 C ATOM 1708 CD GLU A 107 14.737 7.398 4.728 1.00 51.53 C ATOM 1709 OE1 GLU A 107 15.327 8.322 4.128 1.00 42.04 O ATOM 1710 OE2 GLU A 107 14.308 7.520 5.894 1.00 14.02 O ATOM 0 H GLU A 107 14.966 5.103 1.417 1.00 3.01 H new ATOM 0 HA GLU A 107 12.884 3.990 3.125 1.00 73.44 H new ATOM 0 HB2 GLU A 107 13.481 6.857 2.339 1.00 55.41 H new ATOM 0 HB3 GLU A 107 12.454 6.318 3.653 1.00 55.41 H new ATOM 0 HG2 GLU A 107 14.425 5.287 4.764 1.00 4.41 H new ATOM 0 HG3 GLU A 107 15.449 5.840 3.455 1.00 4.41 H new ATOM 1717 N ASP A 108 11.650 3.673 0.826 1.00 24.34 N ATOM 1718 CA ASP A 108 10.646 3.574 -0.228 1.00 63.24 C ATOM 1719 C ASP A 108 9.242 3.383 0.354 1.00 12.34 C ATOM 1720 O ASP A 108 8.267 3.957 -0.135 1.00 25.41 O ATOM 1721 CB ASP A 108 11.011 2.410 -1.152 1.00 62.44 C ATOM 1722 CG ASP A 108 9.933 2.101 -2.160 1.00 63.04 C ATOM 1723 OD1 ASP A 108 9.763 2.886 -3.116 1.00 42.04 O ATOM 1724 OD2 ASP A 108 9.257 1.068 -1.995 1.00 44.53 O ATOM 0 H ASP A 108 12.044 2.775 1.107 1.00 24.34 H new ATOM 0 HA ASP A 108 10.635 4.505 -0.796 1.00 63.24 H new ATOM 0 HB2 ASP A 108 11.936 2.646 -1.678 1.00 62.44 H new ATOM 0 HB3 ASP A 108 11.204 1.522 -0.550 1.00 62.44 H new ATOM 1729 N HIS A 109 9.148 2.585 1.409 1.00 64.31 N ATOM 1730 CA HIS A 109 7.871 2.339 2.074 1.00 14.21 C ATOM 1731 C HIS A 109 7.984 2.646 3.565 1.00 3.13 C ATOM 1732 O HIS A 109 8.933 2.217 4.223 1.00 50.33 O ATOM 1733 CB HIS A 109 7.360 0.901 1.819 1.00 23.31 C ATOM 1734 CG HIS A 109 8.315 -0.217 2.151 1.00 41.12 C ATOM 1735 ND1 HIS A 109 7.941 -1.546 2.134 1.00 3.14 N ATOM 1736 CD2 HIS A 109 9.623 -0.209 2.496 1.00 40.22 C ATOM 1737 CE1 HIS A 109 8.969 -2.299 2.462 1.00 31.51 C ATOM 1738 NE2 HIS A 109 10.007 -1.516 2.686 1.00 1.04 N ATOM 0 H HIS A 109 9.940 2.095 1.825 1.00 64.31 H new ATOM 0 HA HIS A 109 7.128 3.012 1.645 1.00 14.21 H new ATOM 0 HB2 HIS A 109 6.448 0.755 2.398 1.00 23.31 H new ATOM 0 HB3 HIS A 109 7.087 0.817 0.767 1.00 23.31 H new ATOM 0 HD1 HIS A 109 7.010 -1.891 1.902 1.00 3.14 H new ATOM 0 HD2 HIS A 109 10.251 0.663 2.603 1.00 40.22 H new ATOM 0 HE1 HIS A 109 8.964 -3.376 2.535 1.00 31.51 H new ATOM 1747 N ILE A 110 7.024 3.404 4.087 1.00 43.44 N ATOM 1748 CA ILE A 110 7.117 3.926 5.451 1.00 74.55 C ATOM 1749 C ILE A 110 5.834 3.662 6.255 1.00 34.30 C ATOM 1750 O ILE A 110 5.184 2.634 6.073 1.00 51.50 O ATOM 1751 CB ILE A 110 7.450 5.445 5.468 1.00 23.51 C ATOM 1752 CG1 ILE A 110 6.395 6.282 4.717 1.00 52.44 C ATOM 1753 CG2 ILE A 110 8.836 5.691 4.895 1.00 60.42 C ATOM 1754 CD1 ILE A 110 6.510 6.249 3.204 1.00 25.24 C ATOM 0 H ILE A 110 6.174 3.671 3.590 1.00 43.44 H new ATOM 0 HA ILE A 110 7.937 3.389 5.928 1.00 74.55 H new ATOM 0 HB ILE A 110 7.434 5.769 6.509 1.00 23.51 H new ATOM 0 HG12 ILE A 110 5.404 5.928 4.999 1.00 52.44 H new ATOM 0 HG13 ILE A 110 6.470 7.317 5.050 1.00 52.44 H new ATOM 0 HG21 ILE A 110 9.053 6.759 4.914 1.00 60.42 H new ATOM 0 HG22 ILE A 110 9.576 5.159 5.493 1.00 60.42 H new ATOM 0 HG23 ILE A 110 8.874 5.332 3.867 1.00 60.42 H new ATOM 0 HD11 ILE A 110 5.726 6.867 2.766 1.00 25.24 H new ATOM 0 HD12 ILE A 110 7.485 6.634 2.905 1.00 25.24 H new ATOM 0 HD13 ILE A 110 6.402 5.223 2.853 1.00 25.24 H new ATOM 1766 N PHE A 111 5.472 4.594 7.138 1.00 42.32 N ATOM 1767 CA PHE A 111 4.375 4.404 8.076 1.00 12.24 C ATOM 1768 C PHE A 111 3.386 5.552 7.953 1.00 12.51 C ATOM 1769 O PHE A 111 3.536 6.404 7.081 1.00 51.34 O ATOM 1770 CB PHE A 111 4.893 4.370 9.519 1.00 42.14 C ATOM 1771 CG PHE A 111 5.764 3.200 9.850 1.00 44.13 C ATOM 1772 CD1 PHE A 111 7.120 3.229 9.572 1.00 33.01 C ATOM 1773 CD2 PHE A 111 5.231 2.081 10.461 1.00 25.42 C ATOM 1774 CE1 PHE A 111 7.929 2.163 9.897 1.00 51.21 C ATOM 1775 CE2 PHE A 111 6.033 1.009 10.787 1.00 24.12 C ATOM 1776 CZ PHE A 111 7.386 1.051 10.504 1.00 70.42 C ATOM 0 H PHE A 111 5.934 5.500 7.220 1.00 42.32 H new ATOM 0 HA PHE A 111 3.891 3.456 7.839 1.00 12.24 H new ATOM 0 HB2 PHE A 111 5.452 5.286 9.710 1.00 42.14 H new ATOM 0 HB3 PHE A 111 4.039 4.371 10.196 1.00 42.14 H new ATOM 0 HD1 PHE A 111 7.548 4.098 9.095 1.00 33.01 H new ATOM 0 HD2 PHE A 111 4.175 2.046 10.685 1.00 25.42 H new ATOM 0 HE1 PHE A 111 8.986 2.198 9.677 1.00 51.21 H new ATOM 0 HE2 PHE A 111 5.606 0.138 11.262 1.00 24.12 H new ATOM 0 HZ PHE A 111 8.017 0.212 10.759 1.00 70.42 H new ATOM 1786 N MET A 112 2.376 5.546 8.819 1.00 23.44 N ATOM 1787 CA MET A 112 1.456 6.680 8.969 1.00 24.40 C ATOM 1788 C MET A 112 2.221 8.007 9.025 1.00 45.32 C ATOM 1789 O MET A 112 2.842 8.329 10.037 1.00 34.24 O ATOM 1790 CB MET A 112 0.626 6.503 10.249 1.00 25.32 C ATOM 1791 CG MET A 112 -0.187 7.729 10.645 1.00 12.11 C ATOM 1792 SD MET A 112 -1.970 7.478 10.504 1.00 11.15 S ATOM 1793 CE MET A 112 -2.141 7.288 8.736 1.00 12.11 C ATOM 0 H MET A 112 2.169 4.761 9.436 1.00 23.44 H new ATOM 0 HA MET A 112 0.795 6.705 8.102 1.00 24.40 H new ATOM 0 HB2 MET A 112 -0.052 5.660 10.114 1.00 25.32 H new ATOM 0 HB3 MET A 112 1.296 6.245 11.069 1.00 25.32 H new ATOM 0 HG2 MET A 112 0.055 8.001 11.673 1.00 12.11 H new ATOM 0 HG3 MET A 112 0.106 8.570 10.016 1.00 12.11 H new ATOM 0 HE1 MET A 112 -2.329 8.261 8.282 1.00 12.11 H new ATOM 0 HE2 MET A 112 -1.224 6.867 8.325 1.00 12.11 H new ATOM 0 HE3 MET A 112 -2.975 6.620 8.521 1.00 12.11 H new ATOM 1803 N THR A 113 2.173 8.759 7.928 1.00 51.52 N ATOM 1804 CA THR A 113 2.888 10.033 7.823 1.00 62.41 C ATOM 1805 C THR A 113 2.741 10.632 6.417 1.00 4.33 C ATOM 1806 O THR A 113 2.876 11.840 6.230 1.00 3.11 O ATOM 1807 CB THR A 113 4.395 9.878 8.161 1.00 65.15 C ATOM 1808 OG1 THR A 113 4.999 11.161 8.331 1.00 1.34 O ATOM 1809 CG2 THR A 113 5.136 9.117 7.066 1.00 61.14 C ATOM 0 H THR A 113 1.643 8.508 7.093 1.00 51.52 H new ATOM 0 HA THR A 113 2.438 10.707 8.552 1.00 62.41 H new ATOM 0 HB THR A 113 4.466 9.311 9.089 1.00 65.15 H new ATOM 0 HG1 THR A 113 5.949 11.050 8.545 1.00 1.34 H new ATOM 0 HG21 THR A 113 6.189 9.026 7.334 1.00 61.14 H new ATOM 0 HG22 THR A 113 4.702 8.123 6.957 1.00 61.14 H new ATOM 0 HG23 THR A 113 5.047 9.657 6.124 1.00 61.14 H new ATOM 1817 N LEU A 114 2.441 9.776 5.435 1.00 3.03 N ATOM 1818 CA LEU A 114 2.322 10.194 4.034 1.00 34.24 C ATOM 1819 C LEU A 114 1.358 11.381 3.821 1.00 51.42 C ATOM 1820 O LEU A 114 1.648 12.240 2.989 1.00 31.32 O ATOM 1821 CB LEU A 114 1.908 9.004 3.166 1.00 64.31 C ATOM 1822 CG LEU A 114 2.770 8.786 1.928 1.00 51.45 C ATOM 1823 CD1 LEU A 114 3.214 7.337 1.852 1.00 1.44 C ATOM 1824 CD2 LEU A 114 2.009 9.175 0.672 1.00 41.44 C ATOM 0 H LEU A 114 2.275 8.781 5.587 1.00 3.03 H new ATOM 0 HA LEU A 114 3.307 10.550 3.732 1.00 34.24 H new ATOM 0 HB2 LEU A 114 1.936 8.101 3.775 1.00 64.31 H new ATOM 0 HB3 LEU A 114 0.874 9.144 2.851 1.00 64.31 H new ATOM 0 HG LEU A 114 3.653 9.420 2.002 1.00 51.45 H new ATOM 0 HD11 LEU A 114 3.829 7.191 0.964 1.00 1.44 H new ATOM 0 HD12 LEU A 114 3.794 7.087 2.740 1.00 1.44 H new ATOM 0 HD13 LEU A 114 2.338 6.691 1.797 1.00 1.44 H new ATOM 0 HD21 LEU A 114 2.641 9.012 -0.201 1.00 41.44 H new ATOM 0 HD22 LEU A 114 1.110 8.565 0.588 1.00 41.44 H new ATOM 0 HD23 LEU A 114 1.730 10.227 0.727 1.00 41.44 H new ATOM 1836 N PRO A 115 0.201 11.456 4.532 1.00 53.13 N ATOM 1837 CA PRO A 115 -0.692 12.629 4.473 1.00 65.12 C ATOM 1838 C PRO A 115 0.063 13.952 4.623 1.00 14.43 C ATOM 1839 O PRO A 115 -0.260 14.941 3.963 1.00 42.40 O ATOM 1840 CB PRO A 115 -1.657 12.435 5.659 1.00 13.25 C ATOM 1841 CG PRO A 115 -1.156 11.243 6.409 1.00 22.30 C ATOM 1842 CD PRO A 115 -0.365 10.420 5.401 1.00 31.31 C ATOM 0 HA PRO A 115 -1.195 12.689 3.508 1.00 65.12 H new ATOM 0 HB2 PRO A 115 -1.673 13.319 6.297 1.00 13.25 H new ATOM 0 HB3 PRO A 115 -2.677 12.275 5.310 1.00 13.25 H new ATOM 0 HG2 PRO A 115 -0.527 11.544 7.247 1.00 22.30 H new ATOM 0 HG3 PRO A 115 -1.983 10.665 6.822 1.00 22.30 H new ATOM 0 HD2 PRO A 115 0.410 9.823 5.881 1.00 31.31 H new ATOM 0 HD3 PRO A 115 -1.003 9.729 4.849 1.00 31.31 H new ATOM 1850 N THR A 116 1.068 13.963 5.486 1.00 44.52 N ATOM 1851 CA THR A 116 1.896 15.141 5.685 1.00 12.13 C ATOM 1852 C THR A 116 3.049 15.156 4.683 1.00 53.20 C ATOM 1853 O THR A 116 3.419 16.209 4.156 1.00 53.24 O ATOM 1854 CB THR A 116 2.462 15.166 7.117 1.00 54.41 C ATOM 1855 OG1 THR A 116 1.407 14.907 8.056 1.00 52.35 O ATOM 1856 CG2 THR A 116 3.108 16.506 7.428 1.00 2.55 C ATOM 0 H THR A 116 1.330 13.163 6.063 1.00 44.52 H new ATOM 0 HA THR A 116 1.274 16.023 5.531 1.00 12.13 H new ATOM 0 HB THR A 116 3.226 14.393 7.197 1.00 54.41 H new ATOM 0 HG1 THR A 116 1.769 14.921 8.967 1.00 52.35 H new ATOM 0 HG21 THR A 116 3.499 16.494 8.446 1.00 2.55 H new ATOM 0 HG22 THR A 116 3.924 16.688 6.728 1.00 2.55 H new ATOM 0 HG23 THR A 116 2.366 17.298 7.334 1.00 2.55 H new ATOM 1864 N ALA A 117 3.591 13.970 4.415 1.00 51.22 N ATOM 1865 CA ALA A 117 4.718 13.814 3.505 1.00 74.33 C ATOM 1866 C ALA A 117 4.420 14.393 2.125 1.00 64.43 C ATOM 1867 O ALA A 117 5.208 15.174 1.603 1.00 41.31 O ATOM 1868 CB ALA A 117 5.105 12.348 3.391 1.00 12.13 C ATOM 0 H ALA A 117 3.261 13.095 4.822 1.00 51.22 H new ATOM 0 HA ALA A 117 5.556 14.374 3.921 1.00 74.33 H new ATOM 0 HB1 ALA A 117 5.948 12.246 2.708 1.00 12.13 H new ATOM 0 HB2 ALA A 117 5.386 11.968 4.373 1.00 12.13 H new ATOM 0 HB3 ALA A 117 4.259 11.777 3.010 1.00 12.13 H new ATOM 1874 N VAL A 118 3.281 14.024 1.546 1.00 5.44 N ATOM 1875 CA VAL A 118 2.915 14.495 0.209 1.00 72.12 C ATOM 1876 C VAL A 118 2.871 16.020 0.169 1.00 55.32 C ATOM 1877 O VAL A 118 3.580 16.653 -0.617 1.00 62.35 O ATOM 1878 CB VAL A 118 1.546 13.940 -0.240 1.00 73.14 C ATOM 1879 CG1 VAL A 118 1.188 14.439 -1.633 1.00 44.43 C ATOM 1880 CG2 VAL A 118 1.546 12.425 -0.204 1.00 61.53 C ATOM 0 H VAL A 118 2.596 13.403 1.977 1.00 5.44 H new ATOM 0 HA VAL A 118 3.680 14.129 -0.476 1.00 72.12 H new ATOM 0 HB VAL A 118 0.790 14.303 0.457 1.00 73.14 H new ATOM 0 HG11 VAL A 118 0.219 14.034 -1.927 1.00 44.43 H new ATOM 0 HG12 VAL A 118 1.140 15.528 -1.628 1.00 44.43 H new ATOM 0 HG13 VAL A 118 1.948 14.113 -2.343 1.00 44.43 H new ATOM 0 HG21 VAL A 118 0.572 12.053 -0.524 1.00 61.53 H new ATOM 0 HG22 VAL A 118 2.317 12.045 -0.874 1.00 61.53 H new ATOM 0 HG23 VAL A 118 1.748 12.085 0.812 1.00 61.53 H new ATOM 1890 N GLN A 119 2.058 16.593 1.049 1.00 0.34 N ATOM 1891 CA GLN A 119 1.875 18.039 1.126 1.00 11.03 C ATOM 1892 C GLN A 119 3.214 18.773 1.259 1.00 62.41 C ATOM 1893 O GLN A 119 3.382 19.877 0.743 1.00 12.12 O ATOM 1894 CB GLN A 119 0.950 18.372 2.306 1.00 42.32 C ATOM 1895 CG GLN A 119 0.839 19.857 2.616 1.00 64.44 C ATOM 1896 CD GLN A 119 1.430 20.225 3.967 1.00 74.14 C ATOM 1897 OE1 GLN A 119 0.995 21.182 4.606 1.00 53.52 O ATOM 1898 NE2 GLN A 119 2.427 19.475 4.414 1.00 34.51 N ATOM 0 H GLN A 119 1.507 16.069 1.729 1.00 0.34 H new ATOM 0 HA GLN A 119 1.416 18.380 0.198 1.00 11.03 H new ATOM 0 HB2 GLN A 119 -0.045 17.982 2.093 1.00 42.32 H new ATOM 0 HB3 GLN A 119 1.312 17.854 3.194 1.00 42.32 H new ATOM 0 HG2 GLN A 119 1.347 20.425 1.836 1.00 64.44 H new ATOM 0 HG3 GLN A 119 -0.210 20.151 2.592 1.00 64.44 H new ATOM 0 HE21 GLN A 119 2.763 18.689 3.858 1.00 34.51 H new ATOM 0 HE22 GLN A 119 2.859 19.684 5.314 1.00 34.51 H new ATOM 1907 N ALA A 120 4.167 18.151 1.939 1.00 22.21 N ATOM 1908 CA ALA A 120 5.472 18.758 2.138 1.00 72.43 C ATOM 1909 C ALA A 120 6.390 18.521 0.939 1.00 14.23 C ATOM 1910 O ALA A 120 7.048 19.440 0.456 1.00 12.34 O ATOM 1911 CB ALA A 120 6.113 18.224 3.410 1.00 32.02 C ATOM 0 H ALA A 120 4.060 17.228 2.361 1.00 22.21 H new ATOM 0 HA ALA A 120 5.328 19.834 2.237 1.00 72.43 H new ATOM 0 HB1 ALA A 120 7.090 18.687 3.547 1.00 32.02 H new ATOM 0 HB2 ALA A 120 5.477 18.459 4.264 1.00 32.02 H new ATOM 0 HB3 ALA A 120 6.231 17.143 3.332 1.00 32.02 H new ATOM 1917 N PHE A 121 6.407 17.296 0.435 1.00 42.53 N ATOM 1918 CA PHE A 121 7.344 16.920 -0.619 1.00 32.11 C ATOM 1919 C PHE A 121 6.825 17.276 -2.012 1.00 22.23 C ATOM 1920 O PHE A 121 7.430 16.905 -3.018 1.00 55.40 O ATOM 1921 CB PHE A 121 7.670 15.424 -0.549 1.00 52.22 C ATOM 1922 CG PHE A 121 8.381 15.022 0.713 1.00 34.23 C ATOM 1923 CD1 PHE A 121 9.413 15.796 1.220 1.00 33.20 C ATOM 1924 CD2 PHE A 121 8.013 13.876 1.398 1.00 4.25 C ATOM 1925 CE1 PHE A 121 10.063 15.432 2.383 1.00 44.35 C ATOM 1926 CE2 PHE A 121 8.658 13.508 2.562 1.00 12.01 C ATOM 1927 CZ PHE A 121 9.686 14.287 3.055 1.00 4.13 C ATOM 0 H PHE A 121 5.785 16.546 0.736 1.00 42.53 H new ATOM 0 HA PHE A 121 8.254 17.495 -0.449 1.00 32.11 H new ATOM 0 HB2 PHE A 121 6.744 14.855 -0.632 1.00 52.22 H new ATOM 0 HB3 PHE A 121 8.288 15.155 -1.406 1.00 52.22 H new ATOM 0 HD1 PHE A 121 9.712 16.694 0.700 1.00 33.20 H new ATOM 0 HD2 PHE A 121 7.211 13.262 1.017 1.00 4.25 H new ATOM 0 HE1 PHE A 121 10.866 16.043 2.767 1.00 44.35 H new ATOM 0 HE2 PHE A 121 8.359 12.612 3.086 1.00 12.01 H new ATOM 0 HZ PHE A 121 10.194 14.001 3.964 1.00 4.13 H new ATOM 1937 N ARG A 122 5.700 17.978 -2.083 1.00 23.12 N ATOM 1938 CA ARG A 122 5.212 18.477 -3.364 1.00 34.23 C ATOM 1939 C ARG A 122 5.598 19.938 -3.580 1.00 65.34 C ATOM 1940 O ARG A 122 5.264 20.526 -4.611 1.00 54.11 O ATOM 1941 CB ARG A 122 3.696 18.304 -3.488 1.00 70.31 C ATOM 1942 CG ARG A 122 3.248 16.856 -3.646 1.00 24.42 C ATOM 1943 CD ARG A 122 3.789 16.213 -4.920 1.00 42.33 C ATOM 1944 NE ARG A 122 5.235 15.974 -4.866 1.00 54.22 N ATOM 1945 CZ ARG A 122 5.913 15.285 -5.783 1.00 61.33 C ATOM 1946 NH1 ARG A 122 5.285 14.746 -6.824 1.00 21.42 N ATOM 1947 NH2 ARG A 122 7.225 15.132 -5.655 1.00 55.33 N ATOM 0 H ARG A 122 5.115 18.212 -1.281 1.00 23.12 H new ATOM 0 HA ARG A 122 5.690 17.881 -4.142 1.00 34.23 H new ATOM 0 HB2 ARG A 122 3.219 18.727 -2.604 1.00 70.31 H new ATOM 0 HB3 ARG A 122 3.344 18.878 -4.345 1.00 70.31 H new ATOM 0 HG2 ARG A 122 3.581 16.280 -2.783 1.00 24.42 H new ATOM 0 HG3 ARG A 122 2.159 16.815 -3.656 1.00 24.42 H new ATOM 0 HD2 ARG A 122 3.275 15.267 -5.091 1.00 42.33 H new ATOM 0 HD3 ARG A 122 3.563 16.856 -5.770 1.00 42.33 H new ATOM 0 HE ARG A 122 5.754 16.359 -4.077 1.00 54.22 H new ATOM 0 HH11 ARG A 122 4.276 14.858 -6.925 1.00 21.42 H new ATOM 0 HH12 ARG A 122 5.812 14.220 -7.521 1.00 21.42 H new ATOM 0 HH21 ARG A 122 7.711 15.541 -4.857 1.00 55.33 H new ATOM 0 HH22 ARG A 122 7.748 14.605 -6.355 1.00 55.33 H new ATOM 1961 N ARG A 123 6.292 20.531 -2.611 1.00 4.01 N ATOM 1962 CA ARG A 123 6.784 21.900 -2.771 1.00 52.20 C ATOM 1963 C ARG A 123 8.142 22.099 -2.083 1.00 53.13 C ATOM 1964 O ARG A 123 8.897 22.999 -2.452 1.00 34.04 O ATOM 1965 CB ARG A 123 5.761 22.929 -2.246 1.00 23.44 C ATOM 1966 CG ARG A 123 5.935 23.318 -0.782 1.00 75.00 C ATOM 1967 CD ARG A 123 5.548 22.199 0.166 1.00 62.24 C ATOM 1968 NE ARG A 123 6.046 22.444 1.517 1.00 43.21 N ATOM 1969 CZ ARG A 123 5.280 22.441 2.606 1.00 64.43 C ATOM 1970 NH1 ARG A 123 3.980 22.194 2.509 1.00 54.21 N ATOM 1971 NH2 ARG A 123 5.816 22.673 3.794 1.00 3.32 N ATOM 0 H ARG A 123 6.525 20.094 -1.719 1.00 4.01 H new ATOM 0 HA ARG A 123 6.920 22.065 -3.840 1.00 52.20 H new ATOM 0 HB2 ARG A 123 5.828 23.830 -2.856 1.00 23.44 H new ATOM 0 HB3 ARG A 123 4.758 22.525 -2.383 1.00 23.44 H new ATOM 0 HG2 ARG A 123 6.974 23.597 -0.605 1.00 75.00 H new ATOM 0 HG3 ARG A 123 5.327 24.197 -0.568 1.00 75.00 H new ATOM 0 HD2 ARG A 123 4.463 22.100 0.190 1.00 62.24 H new ATOM 0 HD3 ARG A 123 5.946 21.254 -0.204 1.00 62.24 H new ATOM 0 HE ARG A 123 7.042 22.629 1.633 1.00 43.21 H new ATOM 0 HH11 ARG A 123 3.563 22.005 1.597 1.00 54.21 H new ATOM 0 HH12 ARG A 123 3.397 22.193 3.346 1.00 54.21 H new ATOM 0 HH21 ARG A 123 6.816 22.854 3.876 1.00 3.32 H new ATOM 0 HH22 ARG A 123 5.229 22.671 4.628 1.00 3.32 H new ATOM 1985 N ARG A 124 8.437 21.254 -1.088 1.00 65.51 N ATOM 1986 CA ARG A 124 9.674 21.338 -0.313 1.00 73.12 C ATOM 1987 C ARG A 124 9.705 22.631 0.503 1.00 2.12 C ATOM 1988 O ARG A 124 10.570 23.489 0.235 1.00 1.25 O ATOM 1989 CB ARG A 124 10.908 21.244 -1.224 1.00 22.15 C ATOM 1990 CG ARG A 124 11.015 19.937 -2.000 1.00 74.52 C ATOM 1991 CD ARG A 124 11.164 18.743 -1.071 1.00 1.23 C ATOM 1992 NE ARG A 124 12.304 18.899 -0.165 1.00 52.32 N ATOM 1993 CZ ARG A 124 12.867 17.900 0.513 1.00 40.02 C ATOM 1994 NH1 ARG A 124 12.480 16.647 0.313 1.00 3.04 N ATOM 1995 NH2 ARG A 124 13.855 18.161 1.363 1.00 42.31 N ATOM 0 H ARG A 124 7.822 20.493 -0.800 1.00 65.51 H new ATOM 0 HA ARG A 124 9.700 20.492 0.373 1.00 73.12 H new ATOM 0 HB2 ARG A 124 10.887 22.073 -1.932 1.00 22.15 H new ATOM 0 HB3 ARG A 124 11.804 21.367 -0.616 1.00 22.15 H new ATOM 0 HG2 ARG A 124 10.128 19.808 -2.619 1.00 74.52 H new ATOM 0 HG3 ARG A 124 11.870 19.983 -2.674 1.00 74.52 H new ATOM 0 HD2 ARG A 124 10.251 18.619 -0.489 1.00 1.23 H new ATOM 0 HD3 ARG A 124 11.291 17.836 -1.662 1.00 1.23 H new ATOM 0 HE ARG A 124 12.693 19.834 -0.045 1.00 52.32 H new ATOM 0 HH11 ARG A 124 11.746 16.442 -0.365 1.00 3.04 H new ATOM 0 HH12 ARG A 124 12.917 15.889 0.837 1.00 3.04 H new ATOM 0 HH21 ARG A 124 14.177 19.120 1.492 1.00 42.31 H new ATOM 0 HH22 ARG A 124 14.292 17.402 1.886 1.00 42.31 H new TER 2009 ARG A 124