USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 693 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 59 ASN : amide:sc= -4.27! C(o=-15!,f=-27!) USER MOD Set 1.2: A 62 GLN : amide:sc= -10.8! C(o=-15!,f=-19!) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 20 ASN : amide:sc= -0.0891 K(o=-0.089,f=-2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -137:sc= 0 (180deg=-0.0423) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0648 USER MOD Single : A 10 ASN : amide:sc= -0.0161 X(o=-0.016,f=-0.016) USER MOD Single : A 13 ASN :FLIP amide:sc= -1.55 F(o=-4.6,f=-1.5) USER MOD Single : A 14 HIS : no HE2:sc= -7.23! C(o=-7.2!,f=-7.4!) USER MOD Single : A 25 THR OG1 : rot -88:sc= 0.669 USER MOD Single : A 26 ASN : amide:sc= -2.96! C(o=-3!,f=-16!) USER MOD Single : A 29 MET CE :methyl -175:sc= 0 (180deg=-0.0531) USER MOD Single : A 31 SER OG : rot 68:sc= 0.0464 USER MOD Single : A 32 MET CE :methyl -121:sc= -1.25 (180deg=-3.22!) USER MOD Single : A 35 ASN : amide:sc= -0.0333 K(o=-0.033,f=-2.4!) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.469 F(o=-1.4!,f=-0.47) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HE2:sc= -9.93! C(o=-9.9!,f=-16!) USER MOD Single : A 71 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.32) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -19:sc= -2.17! USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.232 K(o=-0.23,f=-2.5!) USER MOD Single : A 81 MET CE :methyl -113:sc= -7.05! (180deg=-12.8!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.648 5.437 -6.237 1.00 0.00 N ATOM 2 CA MET A 1 -18.815 6.162 -4.956 1.00 0.00 C ATOM 3 C MET A 1 -20.300 6.494 -4.785 1.00 0.00 C ATOM 4 O MET A 1 -20.852 7.349 -5.434 1.00 0.00 O ATOM 5 CB MET A 1 -17.975 7.446 -5.031 1.00 0.00 C ATOM 6 CG MET A 1 -16.506 7.057 -4.838 1.00 0.00 C ATOM 7 SD MET A 1 -15.551 8.591 -4.611 1.00 0.00 S ATOM 8 CE MET A 1 -14.798 8.600 -6.252 1.00 0.00 C ATOM 0 H1 MET A 1 -17.997 4.637 -6.101 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.571 5.081 -6.558 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.258 6.083 -6.953 1.00 0.00 H new ATOM 0 HA MET A 1 -18.486 5.565 -4.106 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.116 7.939 -5.993 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.287 8.152 -4.262 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.394 6.405 -3.972 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.140 6.503 -5.703 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.151 9.472 -6.351 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.208 7.694 -6.386 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.580 8.640 -7.011 1.00 0.00 H new ATOM 20 N ALA A 2 -20.935 5.791 -3.890 1.00 0.00 N ATOM 21 CA ALA A 2 -22.375 6.009 -3.623 1.00 0.00 C ATOM 22 C ALA A 2 -22.492 6.963 -2.429 1.00 0.00 C ATOM 23 O ALA A 2 -21.711 6.871 -1.512 1.00 0.00 O ATOM 24 CB ALA A 2 -22.989 4.659 -3.213 1.00 0.00 C ATOM 0 H ALA A 2 -20.504 5.061 -3.323 1.00 0.00 H new ATOM 0 HA ALA A 2 -22.879 6.417 -4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -24.052 4.789 -3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -22.860 3.940 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.491 4.290 -2.317 1.00 0.00 H new ATOM 30 N PRO A 3 -23.456 7.846 -2.474 1.00 0.00 N ATOM 31 CA PRO A 3 -23.685 8.828 -1.395 1.00 0.00 C ATOM 32 C PRO A 3 -24.484 8.199 -0.256 1.00 0.00 C ATOM 33 O PRO A 3 -24.461 8.694 0.863 1.00 0.00 O ATOM 34 CB PRO A 3 -24.546 9.915 -2.060 1.00 0.00 C ATOM 35 CG PRO A 3 -25.344 9.116 -3.115 1.00 0.00 C ATOM 36 CD PRO A 3 -24.418 7.977 -3.575 1.00 0.00 C ATOM 0 HA PRO A 3 -22.751 9.201 -0.975 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -25.203 10.407 -1.342 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -23.935 10.693 -2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -26.266 8.721 -2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -25.627 9.752 -3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -24.971 7.052 -3.736 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -23.921 8.219 -4.514 1.00 0.00 H new ATOM 44 N ALA A 4 -25.181 7.134 -0.520 1.00 0.00 N ATOM 45 CA ALA A 4 -25.973 6.500 0.570 1.00 0.00 C ATOM 46 C ALA A 4 -26.221 5.029 0.202 1.00 0.00 C ATOM 47 O ALA A 4 -25.534 4.500 -0.642 1.00 0.00 O ATOM 48 CB ALA A 4 -27.296 7.234 0.786 1.00 0.00 C ATOM 0 H ALA A 4 -25.238 6.678 -1.430 1.00 0.00 H new ATOM 0 HA ALA A 4 -25.415 6.558 1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -27.854 6.750 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -27.097 8.271 1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -27.882 7.206 -0.133 1.00 0.00 H new ATOM 54 N GLN A 5 -27.173 4.374 0.813 1.00 0.00 N ATOM 55 CA GLN A 5 -27.494 2.950 0.534 1.00 0.00 C ATOM 56 C GLN A 5 -27.794 2.773 -0.957 1.00 0.00 C ATOM 57 O GLN A 5 -28.097 3.752 -1.626 1.00 0.00 O ATOM 58 CB GLN A 5 -28.675 2.531 1.401 1.00 0.00 C ATOM 59 CG GLN A 5 -28.283 2.659 2.888 1.00 0.00 C ATOM 60 CD GLN A 5 -29.511 2.580 3.789 1.00 0.00 C ATOM 61 OE1 GLN A 5 -30.631 2.564 3.302 1.00 0.00 O ATOM 62 NE2 GLN A 5 -29.317 2.529 5.077 1.00 0.00 N ATOM 0 H GLN A 5 -27.767 4.794 1.528 1.00 0.00 H new ATOM 0 HA GLN A 5 -26.645 2.312 0.778 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -29.540 3.158 1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -28.961 1.504 1.175 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -27.583 1.866 3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -27.769 3.606 3.051 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -28.368 2.544 5.451 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -30.114 2.474 5.711 1.00 0.00 H new ATOM 71 N PRO A 6 -27.719 1.587 -1.480 1.00 0.00 N ATOM 72 CA PRO A 6 -27.357 0.369 -0.725 1.00 0.00 C ATOM 73 C PRO A 6 -25.896 0.012 -1.031 1.00 0.00 C ATOM 74 O PRO A 6 -25.016 0.799 -0.787 1.00 0.00 O ATOM 75 CB PRO A 6 -28.362 -0.563 -1.393 1.00 0.00 C ATOM 76 CG PRO A 6 -28.196 -0.292 -2.910 1.00 0.00 C ATOM 77 CD PRO A 6 -27.974 1.237 -2.889 1.00 0.00 C ATOM 0 HA PRO A 6 -27.402 0.388 0.364 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -28.157 -1.606 -1.152 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -29.379 -0.353 -1.061 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -27.350 -0.830 -3.339 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -29.079 -0.577 -3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -27.131 1.518 -3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -28.848 1.764 -3.271 1.00 0.00 H new ATOM 85 N LEU A 7 -25.612 -1.147 -1.558 1.00 0.00 N ATOM 86 CA LEU A 7 -24.202 -1.530 -1.869 1.00 0.00 C ATOM 87 C LEU A 7 -23.373 -1.679 -0.573 1.00 0.00 C ATOM 88 O LEU A 7 -23.773 -1.228 0.494 1.00 0.00 O ATOM 89 CB LEU A 7 -23.544 -0.490 -2.797 1.00 0.00 C ATOM 90 CG LEU A 7 -22.678 -1.202 -3.839 1.00 0.00 C ATOM 91 CD1 LEU A 7 -23.462 -1.313 -5.147 1.00 0.00 C ATOM 92 CD2 LEU A 7 -21.394 -0.399 -4.071 1.00 0.00 C ATOM 0 H LEU A 7 -26.307 -1.857 -1.790 1.00 0.00 H new ATOM 0 HA LEU A 7 -24.224 -2.492 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -24.311 0.105 -3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -22.934 0.199 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 7 -22.416 -2.199 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -22.852 -1.819 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -24.375 -1.884 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -23.719 -0.315 -5.503 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -20.777 -0.906 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -21.648 0.598 -4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -20.842 -0.317 -3.135 1.00 0.00 H new ATOM 104 N SER A 8 -22.234 -2.302 -0.662 1.00 0.00 N ATOM 105 CA SER A 8 -21.371 -2.491 0.532 1.00 0.00 C ATOM 106 C SER A 8 -20.890 -1.148 1.125 1.00 0.00 C ATOM 107 O SER A 8 -20.613 -0.251 0.372 1.00 0.00 O ATOM 108 CB SER A 8 -20.163 -3.325 0.127 1.00 0.00 C ATOM 109 OG SER A 8 -19.817 -2.955 -1.212 1.00 0.00 O ATOM 0 H SER A 8 -21.859 -2.694 -1.526 1.00 0.00 H new ATOM 0 HA SER A 8 -21.958 -2.994 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 8 -19.328 -3.144 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.394 -4.389 0.184 1.00 0.00 H new ATOM 0 HG SER A 8 -19.039 -3.474 -1.504 1.00 0.00 H new ATOM 115 N GLU A 9 -20.819 -1.085 2.429 1.00 0.00 N ATOM 116 CA GLU A 9 -20.365 0.173 3.080 1.00 0.00 C ATOM 117 C GLU A 9 -18.833 0.147 3.132 1.00 0.00 C ATOM 118 O GLU A 9 -18.249 1.210 3.253 1.00 0.00 O ATOM 119 CB GLU A 9 -20.933 0.270 4.508 1.00 0.00 C ATOM 120 CG GLU A 9 -22.452 0.299 4.455 1.00 0.00 C ATOM 121 CD GLU A 9 -23.025 -0.252 5.768 1.00 0.00 C ATOM 122 OE1 GLU A 9 -22.290 -0.292 6.756 1.00 0.00 O ATOM 123 OE2 GLU A 9 -24.185 -0.623 5.778 1.00 0.00 O ATOM 0 H GLU A 9 -21.055 -1.846 3.065 1.00 0.00 H new ATOM 0 HA GLU A 9 -20.716 1.036 2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -20.597 -0.580 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -20.559 1.169 4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -22.801 1.319 4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -22.808 -0.296 3.614 1.00 0.00 H new ATOM 130 N ASN A 10 -18.215 -0.986 3.048 1.00 0.00 N ATOM 131 CA ASN A 10 -16.712 -1.053 3.094 1.00 0.00 C ATOM 132 C ASN A 10 -16.148 -1.265 1.699 1.00 0.00 C ATOM 133 O ASN A 10 -16.294 -2.329 1.142 1.00 0.00 O ATOM 134 CB ASN A 10 -16.354 -2.217 4.037 1.00 0.00 C ATOM 135 CG ASN A 10 -14.961 -2.748 3.699 1.00 0.00 C ATOM 136 OD1 ASN A 10 -14.836 -3.908 3.349 1.00 0.00 O ATOM 137 ND2 ASN A 10 -13.897 -2.008 3.773 1.00 0.00 N ATOM 0 H ASN A 10 -18.680 -1.888 2.948 1.00 0.00 H new ATOM 0 HA ASN A 10 -16.280 -0.122 3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -16.383 -1.880 5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -17.090 -3.015 3.941 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -12.985 -2.401 3.541 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -13.973 -1.033 4.063 1.00 0.00 H new ATOM 144 N PRO A 11 -15.517 -0.278 1.143 1.00 0.00 N ATOM 145 CA PRO A 11 -14.922 -0.343 -0.195 1.00 0.00 C ATOM 146 C PRO A 11 -13.871 -1.455 -0.312 1.00 0.00 C ATOM 147 O PRO A 11 -13.450 -2.035 0.662 1.00 0.00 O ATOM 148 CB PRO A 11 -14.190 1.012 -0.302 1.00 0.00 C ATOM 149 CG PRO A 11 -14.689 2.008 0.766 1.00 0.00 C ATOM 150 CD PRO A 11 -15.313 1.040 1.782 1.00 0.00 C ATOM 0 HA PRO A 11 -15.673 -0.540 -0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.117 0.858 -0.185 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.345 1.433 -1.295 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.878 2.595 1.197 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.416 2.715 0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.663 0.938 2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -16.264 1.434 2.140 1.00 0.00 H new ATOM 158 N PRO A 12 -13.508 -1.683 -1.545 1.00 0.00 N ATOM 159 CA PRO A 12 -12.499 -2.713 -1.882 1.00 0.00 C ATOM 160 C PRO A 12 -11.154 -2.183 -1.334 1.00 0.00 C ATOM 161 O PRO A 12 -11.043 -1.006 -1.005 1.00 0.00 O ATOM 162 CB PRO A 12 -12.434 -2.871 -3.389 1.00 0.00 C ATOM 163 CG PRO A 12 -13.057 -1.520 -3.869 1.00 0.00 C ATOM 164 CD PRO A 12 -14.002 -0.997 -2.750 1.00 0.00 C ATOM 0 HA PRO A 12 -12.740 -3.686 -1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.412 -3.001 -3.744 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.004 -3.732 -3.736 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.273 -0.792 -4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.610 -1.665 -4.797 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.945 0.087 -2.648 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.044 -1.243 -2.955 1.00 0.00 H new ATOM 172 N ASN A 13 -10.152 -2.989 -1.219 1.00 0.00 N ATOM 173 CA ASN A 13 -8.880 -2.469 -0.663 1.00 0.00 C ATOM 174 C ASN A 13 -8.198 -1.402 -1.504 1.00 0.00 C ATOM 175 O ASN A 13 -8.387 -0.225 -1.210 1.00 0.00 O ATOM 176 CB ASN A 13 -7.942 -3.683 -0.424 1.00 0.00 C ATOM 177 CG ASN A 13 -8.701 -4.684 0.447 1.00 0.00 C ATOM 178 OD1 ASN A 13 -9.467 -4.268 1.422 1.00 0.00 O flip ATOM 179 ND2 ASN A 13 -8.621 -5.876 0.265 1.00 0.00 N flip ATOM 0 H ASN A 13 -10.152 -3.975 -1.481 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.114 -1.951 0.267 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.656 -4.139 -1.372 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.022 -3.366 0.068 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.034 -6.239 -0.486 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.141 -6.519 0.862 1.00 0.00 H new ATOM 186 N HIS A 14 -7.414 -1.721 -2.485 1.00 0.00 N ATOM 187 CA HIS A 14 -6.680 -0.744 -3.340 1.00 0.00 C ATOM 188 C HIS A 14 -5.983 0.342 -2.462 1.00 0.00 C ATOM 189 O HIS A 14 -5.625 1.421 -2.899 1.00 0.00 O ATOM 190 CB HIS A 14 -7.574 -0.034 -4.346 1.00 0.00 C ATOM 191 CG HIS A 14 -8.874 0.446 -3.755 1.00 0.00 C ATOM 192 ND1 HIS A 14 -8.935 1.721 -3.197 1.00 0.00 N ATOM 193 CD2 HIS A 14 -10.126 -0.056 -3.587 1.00 0.00 C ATOM 194 CE1 HIS A 14 -10.169 1.943 -2.728 1.00 0.00 C ATOM 195 NE2 HIS A 14 -10.951 0.879 -2.941 1.00 0.00 N ATOM 0 H HIS A 14 -7.238 -2.690 -2.749 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.946 -1.332 -3.890 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -7.036 0.818 -4.762 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.787 -0.711 -5.173 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.160 2.383 -3.153 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.442 -1.038 -3.906 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.489 2.854 -2.245 1.00 0.00 H new ATOM 204 N ILE A 15 -5.800 0.017 -1.194 1.00 0.00 N ATOM 205 CA ILE A 15 -5.224 0.909 -0.154 1.00 0.00 C ATOM 206 C ILE A 15 -4.467 -0.065 0.778 1.00 0.00 C ATOM 207 O ILE A 15 -5.106 -0.902 1.341 1.00 0.00 O ATOM 208 CB ILE A 15 -6.249 1.724 0.650 1.00 0.00 C ATOM 209 CG1 ILE A 15 -6.350 3.108 -0.035 1.00 0.00 C ATOM 210 CG2 ILE A 15 -5.717 1.832 2.062 1.00 0.00 C ATOM 211 CD1 ILE A 15 -6.834 4.183 0.911 1.00 0.00 C ATOM 0 H ILE A 15 -6.051 -0.902 -0.829 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.605 1.675 -0.621 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.240 1.271 0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.373 3.388 -0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.030 3.042 -0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.416 2.405 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.601 0.834 2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.750 2.335 2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.888 5.135 0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.823 3.919 1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.141 4.271 1.747 1.00 0.00 H new ATOM 223 N LEU A 16 -3.184 0.121 0.852 1.00 0.00 N ATOM 224 CA LEU A 16 -2.306 -0.752 1.705 1.00 0.00 C ATOM 225 C LEU A 16 -1.475 0.148 2.660 1.00 0.00 C ATOM 226 O LEU A 16 -0.612 0.909 2.290 1.00 0.00 O ATOM 227 CB LEU A 16 -1.384 -1.445 0.703 1.00 0.00 C ATOM 228 CG LEU A 16 -2.215 -2.334 -0.243 1.00 0.00 C ATOM 229 CD1 LEU A 16 -2.867 -1.513 -1.351 1.00 0.00 C ATOM 230 CD2 LEU A 16 -1.283 -3.330 -0.903 1.00 0.00 C ATOM 0 H LEU A 16 -2.686 0.856 0.349 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.863 -1.462 2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.833 -0.701 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.647 -2.050 1.231 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.992 -2.824 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.445 -2.171 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.528 -0.766 -0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.095 -1.014 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.852 -3.970 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.520 -2.795 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.805 -3.943 -0.139 1.00 0.00 H new ATOM 242 N PHE A 17 -1.859 -0.001 3.934 1.00 0.00 N ATOM 243 CA PHE A 17 -1.360 0.770 5.070 1.00 0.00 C ATOM 244 C PHE A 17 -0.731 -0.255 6.040 1.00 0.00 C ATOM 245 O PHE A 17 -1.364 -1.219 6.307 1.00 0.00 O ATOM 246 CB PHE A 17 -2.371 1.661 5.747 1.00 0.00 C ATOM 247 CG PHE A 17 -1.816 1.932 7.136 1.00 0.00 C ATOM 248 CD1 PHE A 17 -0.649 2.697 7.253 1.00 0.00 C ATOM 249 CD2 PHE A 17 -2.465 1.420 8.261 1.00 0.00 C ATOM 250 CE1 PHE A 17 -0.119 2.954 8.516 1.00 0.00 C ATOM 251 CE2 PHE A 17 -1.928 1.683 9.533 1.00 0.00 C ATOM 252 CZ PHE A 17 -0.765 2.443 9.655 1.00 0.00 C ATOM 0 H PHE A 17 -2.556 -0.693 4.209 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.630 1.495 4.709 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.508 2.589 5.192 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.345 1.176 5.803 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.163 3.085 6.370 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.365 0.832 8.156 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.781 3.541 8.619 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.416 1.297 10.416 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.356 2.641 10.635 1.00 0.00 H new ATOM 262 N LEU A 18 0.463 0.041 6.385 1.00 0.00 N ATOM 263 CA LEU A 18 1.198 -0.788 7.306 1.00 0.00 C ATOM 264 C LEU A 18 2.590 -0.230 7.300 1.00 0.00 C ATOM 265 O LEU A 18 2.850 0.811 6.693 1.00 0.00 O ATOM 266 CB LEU A 18 1.005 -2.275 7.325 1.00 0.00 C ATOM 267 CG LEU A 18 -0.107 -2.622 8.353 1.00 0.00 C ATOM 268 CD1 LEU A 18 -0.267 -4.119 8.352 1.00 0.00 C ATOM 269 CD2 LEU A 18 0.425 -2.249 9.757 1.00 0.00 C ATOM 0 H LEU A 18 0.972 0.858 6.048 1.00 0.00 H new ATOM 0 HA LEU A 18 0.744 -0.719 8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.727 -2.632 6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.936 -2.773 7.594 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.037 -2.105 8.114 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.042 -4.403 9.064 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.551 -4.454 7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.676 -4.586 8.637 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.332 -2.480 10.506 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.329 -2.820 9.967 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.653 -1.184 9.788 1.00 0.00 H new ATOM 281 N THR A 19 3.400 -0.806 8.026 1.00 0.00 N ATOM 282 CA THR A 19 4.729 -0.325 8.215 1.00 0.00 C ATOM 283 C THR A 19 5.641 -1.538 8.257 1.00 0.00 C ATOM 284 O THR A 19 5.245 -2.683 8.075 1.00 0.00 O ATOM 285 CB THR A 19 4.790 0.270 9.650 1.00 0.00 C ATOM 286 OG1 THR A 19 4.784 -0.864 10.534 1.00 0.00 O ATOM 287 CG2 THR A 19 3.563 1.093 9.981 1.00 0.00 C ATOM 0 H THR A 19 3.188 -1.660 8.542 1.00 0.00 H new ATOM 0 HA THR A 19 5.006 0.389 7.440 1.00 0.00 H new ATOM 0 HB THR A 19 5.665 0.913 9.742 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.823 -0.555 11.463 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.652 1.487 10.993 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.478 1.920 9.276 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.675 0.465 9.913 1.00 0.00 H new ATOM 295 N ASN A 20 6.805 -1.233 8.421 1.00 0.00 N ATOM 296 CA ASN A 20 7.970 -2.183 8.527 1.00 0.00 C ATOM 297 C ASN A 20 8.879 -1.791 7.346 1.00 0.00 C ATOM 298 O ASN A 20 9.186 -2.555 6.473 1.00 0.00 O ATOM 299 CB ASN A 20 7.640 -3.636 8.611 1.00 0.00 C ATOM 300 CG ASN A 20 7.176 -3.967 10.052 1.00 0.00 C ATOM 301 OD1 ASN A 20 6.184 -3.472 10.530 1.00 0.00 O ATOM 302 ND2 ASN A 20 7.881 -4.809 10.780 1.00 0.00 N ATOM 0 H ASN A 20 7.094 -0.258 8.503 1.00 0.00 H new ATOM 0 HA ASN A 20 8.469 -2.073 9.490 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.856 -3.886 7.897 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.512 -4.236 8.349 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.586 -5.033 11.730 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.722 -5.237 10.393 1.00 0.00 H new ATOM 309 N LEU A 21 9.267 -0.536 7.391 1.00 0.00 N ATOM 310 CA LEU A 21 10.173 -0.031 6.335 1.00 0.00 C ATOM 311 C LEU A 21 11.432 0.493 7.067 1.00 0.00 C ATOM 312 O LEU A 21 11.288 1.336 7.914 1.00 0.00 O ATOM 313 CB LEU A 21 9.503 1.100 5.551 1.00 0.00 C ATOM 314 CG LEU A 21 8.043 1.276 5.952 1.00 0.00 C ATOM 315 CD1 LEU A 21 7.472 2.588 5.412 1.00 0.00 C ATOM 316 CD2 LEU A 21 7.180 0.148 5.358 1.00 0.00 C ATOM 0 H LEU A 21 8.996 0.141 8.104 1.00 0.00 H new ATOM 0 HA LEU A 21 10.424 -0.813 5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.042 2.031 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.564 0.889 4.483 1.00 0.00 H new ATOM 0 HG LEU A 21 8.017 1.265 7.042 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.429 2.683 5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.044 3.425 5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.535 2.592 4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.141 0.290 5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.253 0.168 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.534 -0.814 5.727 1.00 0.00 H new ATOM 328 N PRO A 22 12.583 0.000 6.745 1.00 0.00 N ATOM 329 CA PRO A 22 13.865 0.416 7.365 1.00 0.00 C ATOM 330 C PRO A 22 14.119 1.916 7.186 1.00 0.00 C ATOM 331 O PRO A 22 13.290 2.664 6.728 1.00 0.00 O ATOM 332 CB PRO A 22 14.961 -0.341 6.613 1.00 0.00 C ATOM 333 CG PRO A 22 14.329 -0.777 5.270 1.00 0.00 C ATOM 334 CD PRO A 22 12.877 -1.036 5.740 1.00 0.00 C ATOM 0 HA PRO A 22 13.846 0.204 8.434 1.00 0.00 H new ATOM 0 HB2 PRO A 22 15.831 0.294 6.447 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.301 -1.205 7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.390 -0.001 4.507 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.800 -1.668 4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 22 12.180 -0.977 4.904 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.778 -2.034 6.168 1.00 0.00 H new ATOM 342 N GLU A 23 15.276 2.425 7.540 1.00 0.00 N ATOM 343 CA GLU A 23 15.601 3.870 7.402 1.00 0.00 C ATOM 344 C GLU A 23 16.132 4.151 5.998 1.00 0.00 C ATOM 345 O GLU A 23 16.457 5.275 5.630 1.00 0.00 O ATOM 346 CB GLU A 23 16.681 4.218 8.450 1.00 0.00 C ATOM 347 CG GLU A 23 16.784 5.732 8.610 1.00 0.00 C ATOM 348 CD GLU A 23 18.244 6.177 8.414 1.00 0.00 C ATOM 349 OE1 GLU A 23 19.141 5.461 8.830 1.00 0.00 O ATOM 350 OE2 GLU A 23 18.481 7.227 7.853 1.00 0.00 O ATOM 0 H GLU A 23 16.035 1.869 7.934 1.00 0.00 H new ATOM 0 HA GLU A 23 14.709 4.475 7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.432 3.759 9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 23 17.644 3.810 8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.142 6.229 7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.433 6.027 9.599 1.00 0.00 H new ATOM 357 N GLU A 24 16.219 3.116 5.210 1.00 0.00 N ATOM 358 CA GLU A 24 16.717 3.248 3.803 1.00 0.00 C ATOM 359 C GLU A 24 15.517 3.271 2.846 1.00 0.00 C ATOM 360 O GLU A 24 15.692 2.977 1.670 1.00 0.00 O ATOM 361 CB GLU A 24 17.616 2.066 3.480 1.00 0.00 C ATOM 362 CG GLU A 24 18.593 2.483 2.366 1.00 0.00 C ATOM 363 CD GLU A 24 19.735 1.492 2.226 1.00 0.00 C ATOM 364 OE1 GLU A 24 20.036 0.857 3.225 1.00 0.00 O ATOM 365 OE2 GLU A 24 20.305 1.354 1.163 1.00 0.00 O ATOM 0 H GLU A 24 15.963 2.167 5.482 1.00 0.00 H new ATOM 0 HA GLU A 24 17.284 4.172 3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.166 1.755 4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.019 1.213 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.057 2.558 1.420 1.00 0.00 H new ATOM 0 HG3 GLU A 24 18.994 3.473 2.584 1.00 0.00 H new ATOM 372 N THR A 25 14.369 3.604 3.348 1.00 0.00 N ATOM 373 CA THR A 25 13.138 3.665 2.533 1.00 0.00 C ATOM 374 C THR A 25 12.681 5.120 2.299 1.00 0.00 C ATOM 375 O THR A 25 12.977 6.012 3.050 1.00 0.00 O ATOM 376 CB THR A 25 11.997 2.995 3.324 1.00 0.00 C ATOM 377 OG1 THR A 25 12.040 3.421 4.673 1.00 0.00 O ATOM 378 CG2 THR A 25 12.101 1.477 3.254 1.00 0.00 C ATOM 0 H THR A 25 14.231 3.846 4.329 1.00 0.00 H new ATOM 0 HA THR A 25 13.350 3.178 1.581 1.00 0.00 H new ATOM 0 HB THR A 25 11.047 3.290 2.878 1.00 0.00 H new ATOM 0 HG1 THR A 25 12.627 2.827 5.185 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.284 1.030 3.820 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.040 1.156 2.214 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.053 1.158 3.677 1.00 0.00 H new ATOM 386 N ASN A 26 11.946 5.325 1.229 1.00 0.00 N ATOM 387 CA ASN A 26 11.504 6.747 1.021 1.00 0.00 C ATOM 388 C ASN A 26 10.229 6.797 0.173 1.00 0.00 C ATOM 389 O ASN A 26 9.715 5.833 -0.367 1.00 0.00 O ATOM 390 CB ASN A 26 12.647 7.595 0.455 1.00 0.00 C ATOM 391 CG ASN A 26 12.903 7.339 -1.020 1.00 0.00 C ATOM 392 OD1 ASN A 26 12.185 7.750 -1.922 1.00 0.00 O ATOM 393 ND2 ASN A 26 13.948 6.640 -1.380 1.00 0.00 N ATOM 0 H ASN A 26 11.651 4.634 0.540 1.00 0.00 H new ATOM 0 HA ASN A 26 11.249 7.188 1.984 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.415 8.650 0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 26 13.558 7.389 1.017 1.00 0.00 H new ATOM 0 HD21 ASN A 26 14.128 6.464 -2.368 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.583 6.271 -0.672 1.00 0.00 H new ATOM 400 N GLU A 27 9.636 7.966 -0.002 1.00 0.00 N ATOM 401 CA GLU A 27 8.404 8.122 -0.807 1.00 0.00 C ATOM 402 C GLU A 27 8.738 7.996 -2.307 1.00 0.00 C ATOM 403 O GLU A 27 7.886 7.544 -3.012 1.00 0.00 O ATOM 404 CB GLU A 27 7.730 9.472 -0.633 1.00 0.00 C ATOM 405 CG GLU A 27 6.605 9.604 -1.685 1.00 0.00 C ATOM 406 CD GLU A 27 5.884 10.916 -1.427 1.00 0.00 C ATOM 407 OE1 GLU A 27 5.022 10.964 -0.583 1.00 0.00 O ATOM 408 OE2 GLU A 27 6.233 11.872 -2.116 1.00 0.00 O ATOM 0 H GLU A 27 9.981 8.837 0.401 1.00 0.00 H new ATOM 0 HA GLU A 27 7.730 7.340 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.319 9.562 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.457 10.275 -0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.020 9.587 -2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.912 8.766 -1.611 1.00 0.00 H new ATOM 415 N LEU A 28 9.880 8.339 -2.811 1.00 0.00 N ATOM 416 CA LEU A 28 10.186 8.170 -4.286 1.00 0.00 C ATOM 417 C LEU A 28 10.446 6.661 -4.521 1.00 0.00 C ATOM 418 O LEU A 28 10.262 6.097 -5.565 1.00 0.00 O ATOM 419 CB LEU A 28 11.424 8.970 -4.666 1.00 0.00 C ATOM 420 CG LEU A 28 12.269 8.264 -5.737 1.00 0.00 C ATOM 421 CD1 LEU A 28 12.994 9.284 -6.628 1.00 0.00 C ATOM 422 CD2 LEU A 28 13.326 7.350 -5.097 1.00 0.00 C ATOM 0 H LEU A 28 10.644 8.740 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 28 9.356 8.529 -4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.121 9.951 -5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.033 9.137 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 28 11.582 7.668 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.585 8.757 -7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 28 12.261 9.919 -7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.652 9.900 -6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.909 6.864 -5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.988 7.945 -4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.832 6.592 -4.489 1.00 0.00 H new ATOM 434 N MET A 29 10.888 6.023 -3.453 1.00 0.00 N ATOM 435 CA MET A 29 11.190 4.566 -3.462 1.00 0.00 C ATOM 436 C MET A 29 9.884 3.797 -3.602 1.00 0.00 C ATOM 437 O MET A 29 9.623 3.005 -4.515 1.00 0.00 O ATOM 438 CB MET A 29 11.774 4.187 -2.085 1.00 0.00 C ATOM 439 CG MET A 29 12.542 2.885 -2.139 1.00 0.00 C ATOM 440 SD MET A 29 11.815 1.734 -0.959 1.00 0.00 S ATOM 441 CE MET A 29 12.852 0.325 -1.413 1.00 0.00 C ATOM 0 H MET A 29 11.053 6.476 -2.554 1.00 0.00 H new ATOM 0 HA MET A 29 11.878 4.336 -4.275 1.00 0.00 H new ATOM 0 HB2 MET A 29 12.433 4.983 -1.738 1.00 0.00 H new ATOM 0 HB3 MET A 29 10.966 4.102 -1.358 1.00 0.00 H new ATOM 0 HG2 MET A 29 12.506 2.467 -3.145 1.00 0.00 H new ATOM 0 HG3 MET A 29 13.592 3.056 -1.902 1.00 0.00 H new ATOM 0 HE1 MET A 29 12.525 -0.559 -0.865 1.00 0.00 H new ATOM 0 HE2 MET A 29 12.767 0.141 -2.484 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.891 0.542 -1.164 1.00 0.00 H new ATOM 451 N LEU A 30 9.022 4.053 -2.643 1.00 0.00 N ATOM 452 CA LEU A 30 7.678 3.396 -2.609 1.00 0.00 C ATOM 453 C LEU A 30 6.880 3.975 -3.755 1.00 0.00 C ATOM 454 O LEU A 30 5.981 3.420 -4.344 1.00 0.00 O ATOM 455 CB LEU A 30 7.014 3.616 -1.243 1.00 0.00 C ATOM 456 CG LEU A 30 7.364 2.496 -0.257 1.00 0.00 C ATOM 457 CD1 LEU A 30 6.482 2.705 0.989 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.145 1.097 -0.822 1.00 0.00 C ATOM 0 H LEU A 30 9.198 4.699 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 30 7.748 2.315 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.333 4.575 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.932 3.666 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 30 8.428 2.554 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.697 1.927 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.692 3.682 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.431 2.654 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.413 0.355 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.097 0.975 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.768 0.960 -1.706 1.00 0.00 H new ATOM 470 N SER A 31 7.203 5.190 -4.155 1.00 0.00 N ATOM 471 CA SER A 31 6.520 5.879 -5.270 1.00 0.00 C ATOM 472 C SER A 31 6.792 5.099 -6.574 1.00 0.00 C ATOM 473 O SER A 31 5.844 4.817 -7.255 1.00 0.00 O ATOM 474 CB SER A 31 7.039 7.291 -5.522 1.00 0.00 C ATOM 475 OG SER A 31 6.746 7.666 -6.876 1.00 0.00 O ATOM 0 H SER A 31 7.946 5.741 -3.725 1.00 0.00 H new ATOM 0 HA SER A 31 5.466 5.928 -4.995 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.573 7.992 -4.829 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.114 7.334 -5.344 1.00 0.00 H new ATOM 0 HG SER A 31 5.777 7.760 -6.987 1.00 0.00 H new ATOM 481 N MET A 32 8.028 4.800 -6.834 1.00 0.00 N ATOM 482 CA MET A 32 8.444 4.040 -8.055 1.00 0.00 C ATOM 483 C MET A 32 8.096 2.562 -7.977 1.00 0.00 C ATOM 484 O MET A 32 7.745 1.869 -8.928 1.00 0.00 O ATOM 485 CB MET A 32 9.986 4.130 -8.073 1.00 0.00 C ATOM 486 CG MET A 32 10.461 5.324 -8.874 1.00 0.00 C ATOM 487 SD MET A 32 12.217 5.075 -9.300 1.00 0.00 S ATOM 488 CE MET A 32 12.743 6.767 -8.876 1.00 0.00 C ATOM 0 H MET A 32 8.806 5.060 -6.227 1.00 0.00 H new ATOM 0 HA MET A 32 7.942 4.455 -8.929 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.360 4.203 -7.052 1.00 0.00 H new ATOM 0 HB3 MET A 32 10.400 3.216 -8.499 1.00 0.00 H new ATOM 0 HG2 MET A 32 9.864 5.435 -9.779 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.338 6.240 -8.297 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.181 7.242 -9.754 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.880 7.344 -8.544 1.00 0.00 H new ATOM 0 HE3 MET A 32 13.483 6.728 -8.077 1.00 0.00 H new ATOM 498 N LEU A 33 8.164 2.019 -6.786 1.00 0.00 N ATOM 499 CA LEU A 33 7.867 0.551 -6.553 1.00 0.00 C ATOM 500 C LEU A 33 6.354 0.405 -6.738 1.00 0.00 C ATOM 501 O LEU A 33 5.848 -0.534 -7.285 1.00 0.00 O ATOM 502 CB LEU A 33 8.191 0.187 -5.099 1.00 0.00 C ATOM 503 CG LEU A 33 9.565 -0.448 -4.997 1.00 0.00 C ATOM 504 CD1 LEU A 33 10.041 -0.559 -3.538 1.00 0.00 C ATOM 505 CD2 LEU A 33 9.496 -1.834 -5.642 1.00 0.00 C ATOM 0 H LEU A 33 8.417 2.534 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 33 8.446 -0.083 -7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.152 1.082 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.438 -0.501 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 33 10.288 0.182 -5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.029 -1.019 -3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.092 0.436 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.340 -1.172 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.473 -2.313 -5.582 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.761 -2.443 -5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.205 -1.735 -6.688 1.00 0.00 H new ATOM 517 N PHE A 34 5.698 1.428 -6.244 1.00 0.00 N ATOM 518 CA PHE A 34 4.197 1.420 -6.441 1.00 0.00 C ATOM 519 C PHE A 34 3.891 1.896 -7.854 1.00 0.00 C ATOM 520 O PHE A 34 2.898 1.594 -8.461 1.00 0.00 O ATOM 521 CB PHE A 34 3.481 2.179 -5.350 1.00 0.00 C ATOM 522 CG PHE A 34 3.746 1.436 -4.045 1.00 0.00 C ATOM 523 CD1 PHE A 34 3.656 0.027 -3.978 1.00 0.00 C ATOM 524 CD2 PHE A 34 4.090 2.095 -2.872 1.00 0.00 C ATOM 525 CE1 PHE A 34 3.906 -0.672 -2.777 1.00 0.00 C ATOM 526 CE2 PHE A 34 4.338 1.409 -1.693 1.00 0.00 C ATOM 527 CZ PHE A 34 4.252 0.013 -1.620 1.00 0.00 C ATOM 0 H PHE A 34 6.095 2.223 -5.744 1.00 0.00 H new ATOM 0 HA PHE A 34 3.807 0.407 -6.348 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.845 3.205 -5.291 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.412 2.231 -5.554 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.390 -0.528 -4.866 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.166 3.172 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.827 -1.749 -2.758 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.605 1.966 -0.807 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.448 -0.512 -0.697 1.00 0.00 H new ATOM 537 N ASN A 35 4.792 2.655 -8.393 1.00 0.00 N ATOM 538 CA ASN A 35 4.724 3.202 -9.765 1.00 0.00 C ATOM 539 C ASN A 35 4.720 2.007 -10.745 1.00 0.00 C ATOM 540 O ASN A 35 4.017 2.087 -11.717 1.00 0.00 O ATOM 541 CB ASN A 35 5.906 4.073 -10.142 1.00 0.00 C ATOM 542 CG ASN A 35 5.655 4.657 -11.546 1.00 0.00 C ATOM 543 OD1 ASN A 35 4.491 4.852 -11.855 1.00 0.00 O ATOM 544 ND2 ASN A 35 6.648 4.926 -12.348 1.00 0.00 N ATOM 0 H ASN A 35 5.636 2.937 -7.895 1.00 0.00 H new ATOM 0 HA ASN A 35 3.828 3.821 -9.814 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.032 4.875 -9.415 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.826 3.488 -10.134 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.465 5.315 -13.273 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.607 4.748 -12.050 1.00 0.00 H new ATOM 551 N GLN A 36 5.471 1.009 -10.401 1.00 0.00 N ATOM 552 CA GLN A 36 5.534 -0.265 -11.167 1.00 0.00 C ATOM 553 C GLN A 36 4.089 -0.553 -11.656 1.00 0.00 C ATOM 554 O GLN A 36 3.852 -1.051 -12.722 1.00 0.00 O ATOM 555 CB GLN A 36 5.868 -1.399 -10.191 1.00 0.00 C ATOM 556 CG GLN A 36 7.347 -1.425 -9.856 1.00 0.00 C ATOM 557 CD GLN A 36 8.099 -1.587 -11.196 1.00 0.00 C ATOM 558 OE1 GLN A 36 8.510 -0.546 -11.874 1.00 0.00 O flip ATOM 559 NE2 GLN A 36 8.333 -2.688 -11.659 1.00 0.00 N flip ATOM 0 H GLN A 36 6.075 1.023 -9.579 1.00 0.00 H new ATOM 0 HA GLN A 36 6.263 -0.198 -11.975 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.289 -1.276 -9.276 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.576 -2.354 -10.627 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.647 -0.506 -9.352 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.577 -2.249 -9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.030 -3.525 -11.162 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.832 -2.773 -12.544 1.00 0.00 H new ATOM 568 N PHE A 37 3.161 -0.184 -10.785 1.00 0.00 N ATOM 569 CA PHE A 37 1.679 -0.302 -10.967 1.00 0.00 C ATOM 570 C PHE A 37 1.080 0.990 -11.525 1.00 0.00 C ATOM 571 O PHE A 37 1.146 2.059 -10.950 1.00 0.00 O ATOM 572 CB PHE A 37 1.076 -0.721 -9.588 1.00 0.00 C ATOM 573 CG PHE A 37 1.834 -2.008 -9.241 1.00 0.00 C ATOM 574 CD1 PHE A 37 1.357 -3.240 -9.737 1.00 0.00 C ATOM 575 CD2 PHE A 37 2.976 -1.897 -8.455 1.00 0.00 C ATOM 576 CE1 PHE A 37 2.093 -4.391 -9.408 1.00 0.00 C ATOM 577 CE2 PHE A 37 3.674 -3.085 -8.156 1.00 0.00 C ATOM 578 CZ PHE A 37 3.241 -4.323 -8.629 1.00 0.00 C ATOM 0 H PHE A 37 3.407 0.227 -9.885 1.00 0.00 H new ATOM 0 HA PHE A 37 1.433 -1.062 -11.709 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.228 0.050 -8.833 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.002 -0.894 -9.656 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.465 -3.296 -10.343 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.315 -0.939 -8.088 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.758 -5.352 -9.770 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.564 -3.035 -7.547 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.793 -5.221 -8.392 1.00 0.00 H new ATOM 588 N PRO A 38 0.478 0.878 -12.697 1.00 0.00 N ATOM 589 CA PRO A 38 -0.146 2.035 -13.378 1.00 0.00 C ATOM 590 C PRO A 38 -1.161 2.714 -12.449 1.00 0.00 C ATOM 591 O PRO A 38 -1.495 3.867 -12.568 1.00 0.00 O ATOM 592 CB PRO A 38 -0.863 1.425 -14.581 1.00 0.00 C ATOM 593 CG PRO A 38 -0.896 -0.107 -14.441 1.00 0.00 C ATOM 594 CD PRO A 38 0.318 -0.338 -13.513 1.00 0.00 C ATOM 0 HA PRO A 38 0.583 2.794 -13.664 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.878 1.816 -14.648 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.352 1.705 -15.502 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.827 -0.462 -14.000 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.785 -0.612 -15.400 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.157 -1.209 -12.878 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.218 -0.531 -14.097 1.00 0.00 H new ATOM 602 N GLY A 39 -1.644 1.950 -11.513 1.00 0.00 N ATOM 603 CA GLY A 39 -2.645 2.419 -10.505 1.00 0.00 C ATOM 604 C GLY A 39 -2.033 3.358 -9.448 1.00 0.00 C ATOM 605 O GLY A 39 -2.797 3.956 -8.738 1.00 0.00 O ATOM 0 H GLY A 39 -1.375 0.973 -11.398 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.456 2.936 -11.018 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.084 1.555 -10.006 1.00 0.00 H new ATOM 609 N PHE A 40 -0.748 3.406 -9.427 1.00 0.00 N ATOM 610 CA PHE A 40 0.068 4.234 -8.503 1.00 0.00 C ATOM 611 C PHE A 40 -0.693 5.508 -8.230 1.00 0.00 C ATOM 612 O PHE A 40 -0.775 6.360 -9.091 1.00 0.00 O ATOM 613 CB PHE A 40 1.341 4.618 -9.290 1.00 0.00 C ATOM 614 CG PHE A 40 2.002 5.814 -8.687 1.00 0.00 C ATOM 615 CD1 PHE A 40 2.369 5.770 -7.347 1.00 0.00 C ATOM 616 CD2 PHE A 40 2.231 6.933 -9.477 1.00 0.00 C ATOM 617 CE1 PHE A 40 2.989 6.899 -6.801 1.00 0.00 C ATOM 618 CE2 PHE A 40 2.849 8.061 -8.936 1.00 0.00 C ATOM 619 CZ PHE A 40 3.225 8.037 -7.596 1.00 0.00 C ATOM 0 H PHE A 40 -0.177 2.857 -10.069 1.00 0.00 H new ATOM 0 HA PHE A 40 0.293 3.711 -7.574 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.036 3.778 -9.296 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.082 4.826 -10.328 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.181 4.892 -6.746 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.930 6.930 -10.514 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.288 6.898 -5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.032 8.934 -9.544 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.704 8.902 -7.161 1.00 0.00 H new ATOM 629 N LYS A 41 -1.259 5.638 -7.057 1.00 0.00 N ATOM 630 CA LYS A 41 -2.051 6.858 -6.749 1.00 0.00 C ATOM 631 C LYS A 41 -1.642 7.601 -5.498 1.00 0.00 C ATOM 632 O LYS A 41 -1.409 8.804 -5.556 1.00 0.00 O ATOM 633 CB LYS A 41 -3.519 6.389 -6.634 1.00 0.00 C ATOM 634 CG LYS A 41 -4.273 7.091 -5.531 1.00 0.00 C ATOM 635 CD LYS A 41 -4.544 8.566 -5.897 1.00 0.00 C ATOM 636 CE LYS A 41 -5.209 8.630 -7.273 1.00 0.00 C ATOM 637 NZ LYS A 41 -5.972 9.919 -7.409 1.00 0.00 N ATOM 0 H LYS A 41 -1.205 4.952 -6.304 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.883 7.583 -7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.027 6.563 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.539 5.314 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.218 6.579 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.699 7.042 -4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.187 9.027 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.610 9.128 -5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.454 8.559 -8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.882 7.783 -7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.422 9.959 -8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.703 9.969 -6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.319 10.722 -7.305 1.00 0.00 H new ATOM 651 N GLU A 42 -1.550 6.963 -4.375 1.00 0.00 N ATOM 652 CA GLU A 42 -1.178 7.628 -3.119 1.00 0.00 C ATOM 653 C GLU A 42 -0.022 6.807 -2.525 1.00 0.00 C ATOM 654 O GLU A 42 -0.120 5.611 -2.528 1.00 0.00 O ATOM 655 CB GLU A 42 -2.360 7.670 -2.134 1.00 0.00 C ATOM 656 CG GLU A 42 -2.301 8.892 -1.220 1.00 0.00 C ATOM 657 CD GLU A 42 -3.632 9.658 -1.248 1.00 0.00 C ATOM 658 OE1 GLU A 42 -3.781 10.416 -2.180 1.00 0.00 O ATOM 659 OE2 GLU A 42 -4.432 9.448 -0.339 1.00 0.00 O ATOM 0 H GLU A 42 -1.727 5.963 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.888 8.662 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.296 7.680 -2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.359 6.764 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.078 8.579 -0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.491 9.549 -1.536 1.00 0.00 H new ATOM 666 N VAL A 43 0.958 7.509 -2.065 1.00 0.00 N ATOM 667 CA VAL A 43 2.185 6.964 -1.463 1.00 0.00 C ATOM 668 C VAL A 43 2.598 7.915 -0.325 1.00 0.00 C ATOM 669 O VAL A 43 2.913 9.068 -0.526 1.00 0.00 O ATOM 670 CB VAL A 43 3.300 6.793 -2.477 1.00 0.00 C ATOM 671 CG1 VAL A 43 2.888 5.618 -3.392 1.00 0.00 C ATOM 672 CG2 VAL A 43 3.479 8.024 -3.350 1.00 0.00 C ATOM 0 H VAL A 43 0.951 8.529 -2.087 1.00 0.00 H new ATOM 0 HA VAL A 43 1.991 5.964 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 43 4.238 6.621 -1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.661 5.453 -4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.766 4.716 -2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.946 5.855 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.289 7.852 -4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.555 8.222 -3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.722 8.882 -2.723 1.00 0.00 H new ATOM 682 N ARG A 44 2.525 7.337 0.833 1.00 0.00 N ATOM 683 CA ARG A 44 2.796 8.013 2.125 1.00 0.00 C ATOM 684 C ARG A 44 3.927 7.247 2.839 1.00 0.00 C ATOM 685 O ARG A 44 3.662 6.344 3.582 1.00 0.00 O ATOM 686 CB ARG A 44 1.592 8.055 3.047 1.00 0.00 C ATOM 687 CG ARG A 44 1.366 9.497 3.549 1.00 0.00 C ATOM 688 CD ARG A 44 1.315 10.470 2.388 1.00 0.00 C ATOM 689 NE ARG A 44 0.721 9.879 1.158 1.00 0.00 N ATOM 690 CZ ARG A 44 0.045 10.662 0.378 1.00 0.00 C ATOM 691 NH1 ARG A 44 -0.976 11.357 0.817 1.00 0.00 N ATOM 692 NH2 ARG A 44 0.353 10.801 -0.894 1.00 0.00 N ATOM 0 H ARG A 44 2.271 6.355 0.941 1.00 0.00 H new ATOM 0 HA ARG A 44 3.067 9.045 1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.706 7.701 2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.747 7.386 3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.435 9.548 4.113 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.168 9.779 4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.735 11.345 2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.325 10.816 2.167 1.00 0.00 H new ATOM 0 HE ARG A 44 0.842 8.891 0.937 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.256 11.289 1.795 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.490 11.966 0.180 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.140 10.286 -1.287 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.196 11.424 -1.486 1.00 0.00 H new ATOM 706 N LEU A 45 5.101 7.695 2.539 1.00 0.00 N ATOM 707 CA LEU A 45 6.363 7.165 3.127 1.00 0.00 C ATOM 708 C LEU A 45 7.337 8.359 3.227 1.00 0.00 C ATOM 709 O LEU A 45 8.036 8.570 2.240 1.00 0.00 O ATOM 710 CB LEU A 45 7.030 6.125 2.221 1.00 0.00 C ATOM 711 CG LEU A 45 8.385 5.747 2.834 1.00 0.00 C ATOM 712 CD1 LEU A 45 8.173 5.480 4.324 1.00 0.00 C ATOM 713 CD2 LEU A 45 8.838 4.440 2.167 1.00 0.00 C ATOM 0 H LEU A 45 5.251 8.451 1.871 1.00 0.00 H new ATOM 0 HA LEU A 45 6.135 6.697 4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.397 5.243 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.167 6.528 1.218 1.00 0.00 H new ATOM 0 HG LEU A 45 9.122 6.537 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.123 5.209 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.782 6.378 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.463 4.663 4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.801 4.137 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.101 3.660 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.934 4.594 1.092 1.00 0.00 H new ATOM 725 N VAL A 46 7.361 9.087 4.297 1.00 0.00 N ATOM 726 CA VAL A 46 8.263 10.285 4.349 1.00 0.00 C ATOM 727 C VAL A 46 9.472 10.089 5.250 1.00 0.00 C ATOM 728 O VAL A 46 9.289 9.822 6.415 1.00 0.00 O ATOM 729 CB VAL A 46 7.386 11.501 4.793 1.00 0.00 C ATOM 730 CG1 VAL A 46 6.999 11.487 6.262 1.00 0.00 C ATOM 731 CG2 VAL A 46 8.111 12.813 4.455 1.00 0.00 C ATOM 0 H VAL A 46 6.806 8.917 5.136 1.00 0.00 H new ATOM 0 HA VAL A 46 8.693 10.460 3.363 1.00 0.00 H new ATOM 0 HB VAL A 46 6.452 11.421 4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.392 12.364 6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.427 10.585 6.479 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.900 11.502 6.876 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.497 13.658 4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.066 12.846 4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.285 12.866 3.380 1.00 0.00 H new ATOM 741 N PRO A 47 10.639 10.221 4.701 1.00 0.00 N ATOM 742 CA PRO A 47 11.951 10.094 5.343 1.00 0.00 C ATOM 743 C PRO A 47 11.952 10.546 6.800 1.00 0.00 C ATOM 744 O PRO A 47 12.780 10.039 7.547 1.00 0.00 O ATOM 745 CB PRO A 47 12.858 10.944 4.433 1.00 0.00 C ATOM 746 CG PRO A 47 12.324 10.543 3.034 1.00 0.00 C ATOM 747 CD PRO A 47 10.791 10.537 3.280 1.00 0.00 C ATOM 0 HA PRO A 47 12.289 9.061 5.424 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.752 12.012 4.625 1.00 0.00 H new ATOM 0 HB3 PRO A 47 13.913 10.701 4.558 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.613 11.258 2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.693 9.567 2.718 1.00 0.00 H new ATOM 0 HD2 PRO A 47 10.349 11.504 3.041 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.293 9.796 2.655 1.00 0.00 H new ATOM 755 N GLY A 48 11.079 11.439 7.195 1.00 0.00 N ATOM 756 CA GLY A 48 11.133 11.797 8.656 1.00 0.00 C ATOM 757 C GLY A 48 10.795 10.473 9.383 1.00 0.00 C ATOM 758 O GLY A 48 11.423 10.046 10.322 1.00 0.00 O ATOM 0 H GLY A 48 10.377 11.909 6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.118 12.167 8.939 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.416 12.580 8.901 1.00 0.00 H new ATOM 762 N ARG A 49 9.761 9.848 8.857 1.00 0.00 N ATOM 763 CA ARG A 49 9.270 8.545 9.335 1.00 0.00 C ATOM 764 C ARG A 49 10.164 7.463 8.672 1.00 0.00 C ATOM 765 O ARG A 49 10.979 6.937 9.373 1.00 0.00 O ATOM 766 CB ARG A 49 7.828 8.310 8.835 1.00 0.00 C ATOM 767 CG ARG A 49 6.928 9.190 9.717 1.00 0.00 C ATOM 768 CD ARG A 49 5.529 9.145 9.058 1.00 0.00 C ATOM 769 NE ARG A 49 5.147 10.559 8.782 1.00 0.00 N ATOM 770 CZ ARG A 49 4.072 11.104 9.247 1.00 0.00 C ATOM 771 NH1 ARG A 49 3.883 11.106 10.527 1.00 0.00 N ATOM 772 NH2 ARG A 49 3.226 11.628 8.415 1.00 0.00 N ATOM 0 H ARG A 49 9.223 10.224 8.076 1.00 0.00 H new ATOM 0 HA ARG A 49 9.295 8.509 10.424 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.730 8.581 7.784 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.551 7.259 8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.892 8.814 10.739 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.305 10.211 9.766 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.552 8.562 8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.804 8.669 9.718 1.00 0.00 H new ATOM 0 HE ARG A 49 5.764 11.123 8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.575 10.683 11.145 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.042 11.530 10.918 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.415 11.605 7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.371 12.063 8.763 1.00 0.00 H new ATOM 786 N HIS A 50 9.889 7.223 7.415 1.00 0.00 N ATOM 787 CA HIS A 50 10.544 6.150 6.546 1.00 0.00 C ATOM 788 C HIS A 50 10.166 4.817 7.259 1.00 0.00 C ATOM 789 O HIS A 50 10.772 3.803 7.059 1.00 0.00 O ATOM 790 CB HIS A 50 12.044 6.257 6.380 1.00 0.00 C ATOM 791 CG HIS A 50 12.821 6.187 7.676 1.00 0.00 C ATOM 792 ND1 HIS A 50 12.718 5.119 8.532 1.00 0.00 N ATOM 793 CD2 HIS A 50 13.717 7.016 8.322 1.00 0.00 C ATOM 794 CE1 HIS A 50 13.510 5.306 9.619 1.00 0.00 C ATOM 795 NE2 HIS A 50 14.150 6.478 9.525 1.00 0.00 N ATOM 0 H HIS A 50 9.187 7.760 6.906 1.00 0.00 H new ATOM 0 HA HIS A 50 10.186 6.242 5.521 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.383 5.456 5.723 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.276 7.198 5.881 1.00 0.00 H new ATOM 0 HD1 HIS A 50 12.130 4.301 8.374 1.00 0.00 H new ATOM 0 HD2 HIS A 50 14.042 7.971 7.936 1.00 0.00 H new ATOM 0 HE1 HIS A 50 13.609 4.611 10.440 1.00 0.00 H new ATOM 804 N ASP A 51 9.144 4.929 8.087 1.00 0.00 N ATOM 805 CA ASP A 51 8.703 3.736 8.854 1.00 0.00 C ATOM 806 C ASP A 51 7.201 3.480 8.881 1.00 0.00 C ATOM 807 O ASP A 51 6.778 2.682 9.692 1.00 0.00 O ATOM 808 CB ASP A 51 9.195 3.804 10.317 1.00 0.00 C ATOM 809 CG ASP A 51 8.432 4.912 11.017 1.00 0.00 C ATOM 810 OD1 ASP A 51 8.862 6.052 10.900 1.00 0.00 O ATOM 811 OD2 ASP A 51 7.439 4.649 11.664 1.00 0.00 O ATOM 0 H ASP A 51 8.612 5.783 8.255 1.00 0.00 H new ATOM 0 HA ASP A 51 9.154 2.908 8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.029 2.851 10.819 1.00 0.00 H new ATOM 0 HB3 ASP A 51 10.267 4.000 10.350 1.00 0.00 H new ATOM 816 N ILE A 52 6.396 4.094 8.045 1.00 0.00 N ATOM 817 CA ILE A 52 4.955 3.859 7.993 1.00 0.00 C ATOM 818 C ILE A 52 4.590 4.120 6.514 1.00 0.00 C ATOM 819 O ILE A 52 4.805 5.172 5.967 1.00 0.00 O ATOM 820 CB ILE A 52 4.098 4.750 8.860 1.00 0.00 C ATOM 821 CG1 ILE A 52 4.417 6.243 8.701 1.00 0.00 C ATOM 822 CG2 ILE A 52 4.212 4.374 10.355 1.00 0.00 C ATOM 823 CD1 ILE A 52 3.076 6.975 8.639 1.00 0.00 C ATOM 0 H ILE A 52 6.721 4.784 7.367 1.00 0.00 H new ATOM 0 HA ILE A 52 4.756 2.856 8.371 1.00 0.00 H new ATOM 0 HB ILE A 52 3.078 4.583 8.513 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.015 6.602 9.538 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.997 6.420 7.795 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.581 5.038 10.946 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.887 3.343 10.497 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.248 4.476 10.678 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.250 8.045 8.526 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.501 6.609 7.789 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.520 6.794 9.559 1.00 0.00 H new ATOM 835 N ALA A 53 4.072 3.102 5.889 1.00 0.00 N ATOM 836 CA ALA A 53 3.744 3.144 4.450 1.00 0.00 C ATOM 837 C ALA A 53 2.217 3.039 4.229 1.00 0.00 C ATOM 838 O ALA A 53 1.589 2.032 4.574 1.00 0.00 O ATOM 839 CB ALA A 53 4.458 1.980 3.780 1.00 0.00 C ATOM 0 H ALA A 53 3.857 2.212 6.339 1.00 0.00 H new ATOM 0 HA ALA A 53 4.069 4.091 4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.236 1.982 2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.533 2.080 3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.117 1.043 4.219 1.00 0.00 H new ATOM 845 N PHE A 54 1.731 4.108 3.681 1.00 0.00 N ATOM 846 CA PHE A 54 0.291 4.286 3.267 1.00 0.00 C ATOM 847 C PHE A 54 0.252 4.490 1.728 1.00 0.00 C ATOM 848 O PHE A 54 0.531 5.536 1.197 1.00 0.00 O ATOM 849 CB PHE A 54 -0.353 5.509 3.895 1.00 0.00 C ATOM 850 CG PHE A 54 -1.828 5.328 4.214 1.00 0.00 C ATOM 851 CD1 PHE A 54 -2.820 5.547 3.238 1.00 0.00 C ATOM 852 CD2 PHE A 54 -2.196 4.938 5.502 1.00 0.00 C ATOM 853 CE1 PHE A 54 -4.186 5.376 3.555 1.00 0.00 C ATOM 854 CE2 PHE A 54 -3.562 4.771 5.794 1.00 0.00 C ATOM 855 CZ PHE A 54 -4.564 4.987 4.831 1.00 0.00 C ATOM 0 H PHE A 54 2.304 4.929 3.485 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.255 3.401 3.594 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.180 5.758 4.813 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.238 6.356 3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.534 5.848 2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.446 4.768 6.261 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.939 5.549 2.800 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.850 4.467 6.789 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.606 4.853 5.080 1.00 0.00 H new ATOM 865 N VAL A 55 -0.081 3.383 1.070 1.00 0.00 N ATOM 866 CA VAL A 55 -0.090 3.257 -0.396 1.00 0.00 C ATOM 867 C VAL A 55 -1.412 2.800 -0.987 1.00 0.00 C ATOM 868 O VAL A 55 -1.891 1.688 -1.003 1.00 0.00 O ATOM 869 CB VAL A 55 0.980 2.169 -0.708 1.00 0.00 C ATOM 870 CG1 VAL A 55 1.175 1.948 -2.178 1.00 0.00 C ATOM 871 CG2 VAL A 55 2.315 2.614 -0.072 1.00 0.00 C ATOM 0 H VAL A 55 -0.360 2.525 1.546 1.00 0.00 H new ATOM 0 HA VAL A 55 0.100 4.237 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 55 0.633 1.223 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.932 1.179 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.235 1.627 -2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.500 2.877 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.082 1.867 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.618 3.572 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.188 2.718 1.006 1.00 0.00 H new ATOM 881 N GLU A 56 -2.040 3.808 -1.566 1.00 0.00 N ATOM 882 CA GLU A 56 -3.355 3.777 -2.219 1.00 0.00 C ATOM 883 C GLU A 56 -3.201 3.657 -3.755 1.00 0.00 C ATOM 884 O GLU A 56 -2.830 4.572 -4.438 1.00 0.00 O ATOM 885 CB GLU A 56 -4.065 5.117 -1.969 1.00 0.00 C ATOM 886 CG GLU A 56 -5.590 5.014 -2.065 1.00 0.00 C ATOM 887 CD GLU A 56 -6.123 6.117 -2.986 1.00 0.00 C ATOM 888 OE1 GLU A 56 -5.822 7.263 -2.686 1.00 0.00 O ATOM 889 OE2 GLU A 56 -6.795 5.767 -3.930 1.00 0.00 O ATOM 0 H GLU A 56 -1.623 4.738 -1.599 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.910 2.928 -1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.793 5.487 -0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.710 5.851 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.875 4.035 -2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.034 5.108 -1.074 1.00 0.00 H new ATOM 896 N PHE A 57 -3.464 2.463 -4.212 1.00 0.00 N ATOM 897 CA PHE A 57 -3.320 2.033 -5.620 1.00 0.00 C ATOM 898 C PHE A 57 -4.686 1.976 -6.352 1.00 0.00 C ATOM 899 O PHE A 57 -5.393 1.037 -6.131 1.00 0.00 O ATOM 900 CB PHE A 57 -2.791 0.604 -5.794 1.00 0.00 C ATOM 901 CG PHE A 57 -1.594 0.224 -4.988 1.00 0.00 C ATOM 902 CD1 PHE A 57 -1.636 0.039 -3.604 1.00 0.00 C ATOM 903 CD2 PHE A 57 -0.373 0.022 -5.679 1.00 0.00 C ATOM 904 CE1 PHE A 57 -0.507 -0.348 -2.883 1.00 0.00 C ATOM 905 CE2 PHE A 57 0.776 -0.364 -4.984 1.00 0.00 C ATOM 906 CZ PHE A 57 0.681 -0.543 -3.613 1.00 0.00 C ATOM 0 H PHE A 57 -3.800 1.715 -3.606 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.628 2.774 -6.020 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.597 -0.088 -5.551 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.551 0.457 -6.847 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.566 0.200 -3.079 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.331 0.167 -6.748 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.542 -0.492 -1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.712 -0.519 -5.501 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.566 -0.849 -3.075 1.00 0.00 H new ATOM 916 N ASP A 58 -4.893 2.980 -7.119 1.00 0.00 N ATOM 917 CA ASP A 58 -6.128 3.187 -7.942 1.00 0.00 C ATOM 918 C ASP A 58 -7.003 1.955 -7.998 1.00 0.00 C ATOM 919 O ASP A 58 -8.198 2.074 -7.749 1.00 0.00 O ATOM 920 CB ASP A 58 -5.691 3.566 -9.374 1.00 0.00 C ATOM 921 CG ASP A 58 -5.783 5.087 -9.550 1.00 0.00 C ATOM 922 OD1 ASP A 58 -6.881 5.629 -9.632 1.00 0.00 O ATOM 923 OD2 ASP A 58 -4.746 5.744 -9.605 1.00 0.00 O ATOM 0 H ASP A 58 -4.213 3.732 -7.228 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.718 3.977 -7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.670 3.229 -9.556 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.327 3.065 -10.104 1.00 0.00 H new ATOM 928 N ASN A 59 -6.506 0.770 -8.290 1.00 0.00 N ATOM 929 CA ASN A 59 -7.402 -0.438 -8.298 1.00 0.00 C ATOM 930 C ASN A 59 -6.683 -1.624 -7.612 1.00 0.00 C ATOM 931 O ASN A 59 -5.515 -1.824 -7.777 1.00 0.00 O ATOM 932 CB ASN A 59 -7.912 -0.782 -9.680 1.00 0.00 C ATOM 933 CG ASN A 59 -6.930 -1.596 -10.517 1.00 0.00 C ATOM 934 OD1 ASN A 59 -6.427 -2.636 -10.185 1.00 0.00 O ATOM 935 ND2 ASN A 59 -6.613 -1.110 -11.692 1.00 0.00 N ATOM 0 H ASN A 59 -5.529 0.588 -8.521 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.297 -0.202 -7.723 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.843 -1.341 -9.584 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.148 0.141 -10.210 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.959 -1.612 -12.292 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.021 -0.230 -12.007 1.00 0.00 H new ATOM 942 N GLU A 60 -7.437 -2.356 -6.857 1.00 0.00 N ATOM 943 CA GLU A 60 -6.995 -3.551 -6.076 1.00 0.00 C ATOM 944 C GLU A 60 -6.278 -4.639 -6.936 1.00 0.00 C ATOM 945 O GLU A 60 -5.564 -5.473 -6.463 1.00 0.00 O ATOM 946 CB GLU A 60 -8.122 -4.148 -5.246 1.00 0.00 C ATOM 947 CG GLU A 60 -9.447 -4.198 -5.979 1.00 0.00 C ATOM 948 CD GLU A 60 -9.313 -4.968 -7.311 1.00 0.00 C ATOM 949 OE1 GLU A 60 -8.786 -6.056 -7.292 1.00 0.00 O ATOM 950 OE2 GLU A 60 -9.749 -4.437 -8.306 1.00 0.00 O ATOM 0 H GLU A 60 -8.431 -2.159 -6.737 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.241 -3.173 -5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.845 -5.158 -4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.241 -3.563 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.197 -4.679 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.797 -3.184 -6.174 1.00 0.00 H new ATOM 957 N VAL A 61 -6.438 -4.678 -8.245 1.00 0.00 N ATOM 958 CA VAL A 61 -5.716 -5.714 -9.078 1.00 0.00 C ATOM 959 C VAL A 61 -4.227 -5.256 -9.064 1.00 0.00 C ATOM 960 O VAL A 61 -3.295 -6.013 -8.926 1.00 0.00 O ATOM 961 CB VAL A 61 -6.268 -5.693 -10.492 1.00 0.00 C ATOM 962 CG1 VAL A 61 -5.724 -6.927 -11.233 1.00 0.00 C ATOM 963 CG2 VAL A 61 -7.803 -5.730 -10.501 1.00 0.00 C ATOM 0 H VAL A 61 -7.034 -4.041 -8.773 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.833 -6.729 -8.698 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.957 -4.769 -10.980 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.106 -6.936 -12.254 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.635 -6.888 -11.254 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.045 -7.832 -10.717 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.161 -5.714 -11.530 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.148 -6.641 -10.011 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.191 -4.862 -9.968 1.00 0.00 H new ATOM 973 N GLN A 62 -4.119 -3.951 -9.207 1.00 0.00 N ATOM 974 CA GLN A 62 -2.761 -3.355 -9.178 1.00 0.00 C ATOM 975 C GLN A 62 -2.304 -3.218 -7.724 1.00 0.00 C ATOM 976 O GLN A 62 -1.105 -3.332 -7.496 1.00 0.00 O ATOM 977 CB GLN A 62 -2.638 -1.961 -9.827 1.00 0.00 C ATOM 978 CG GLN A 62 -3.453 -1.781 -11.107 1.00 0.00 C ATOM 979 CD GLN A 62 -4.016 -0.336 -11.105 1.00 0.00 C ATOM 980 OE1 GLN A 62 -4.672 -0.001 -10.145 1.00 0.00 O ATOM 981 NE2 GLN A 62 -3.780 0.461 -12.106 1.00 0.00 N ATOM 0 H GLN A 62 -4.893 -3.299 -9.338 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.143 -4.035 -9.764 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.952 -1.209 -9.103 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.588 -1.770 -10.050 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.829 -1.948 -11.985 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.264 -2.508 -11.150 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.221 0.137 -12.895 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.154 1.410 -12.101 1.00 0.00 H new ATOM 990 N ALA A 63 -3.161 -2.988 -6.797 1.00 0.00 N ATOM 991 CA ALA A 63 -2.644 -2.845 -5.403 1.00 0.00 C ATOM 992 C ALA A 63 -2.282 -4.268 -4.935 1.00 0.00 C ATOM 993 O ALA A 63 -1.344 -4.514 -4.213 1.00 0.00 O ATOM 994 CB ALA A 63 -3.790 -2.348 -4.543 1.00 0.00 C ATOM 0 H ALA A 63 -4.169 -2.892 -6.920 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.793 -2.166 -5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.449 -2.231 -3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.138 -1.387 -4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.608 -3.068 -4.575 1.00 0.00 H new ATOM 1000 N GLY A 64 -3.095 -5.171 -5.400 1.00 0.00 N ATOM 1001 CA GLY A 64 -2.979 -6.638 -5.088 1.00 0.00 C ATOM 1002 C GLY A 64 -1.750 -7.103 -5.826 1.00 0.00 C ATOM 1003 O GLY A 64 -0.988 -7.956 -5.378 1.00 0.00 O ATOM 0 H GLY A 64 -3.877 -4.948 -6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.881 -6.806 -4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.865 -7.182 -5.416 1.00 0.00 H new ATOM 1007 N ALA A 65 -1.479 -6.576 -6.989 1.00 0.00 N ATOM 1008 CA ALA A 65 -0.287 -6.964 -7.790 1.00 0.00 C ATOM 1009 C ALA A 65 0.928 -6.500 -6.975 1.00 0.00 C ATOM 1010 O ALA A 65 1.780 -7.265 -6.615 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.307 -6.381 -9.194 1.00 0.00 C ATOM 0 H ALA A 65 -2.060 -5.864 -7.432 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.261 -8.041 -7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.587 -6.697 -9.732 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.193 -6.734 -9.722 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.329 -5.293 -9.136 1.00 0.00 H new ATOM 1017 N ALA A 66 1.020 -5.221 -6.649 1.00 0.00 N ATOM 1018 CA ALA A 66 2.122 -4.640 -5.844 1.00 0.00 C ATOM 1019 C ALA A 66 2.223 -5.353 -4.507 1.00 0.00 C ATOM 1020 O ALA A 66 3.303 -5.654 -4.034 1.00 0.00 O ATOM 1021 CB ALA A 66 1.763 -3.172 -5.516 1.00 0.00 C ATOM 0 H ALA A 66 0.325 -4.531 -6.934 1.00 0.00 H new ATOM 0 HA ALA A 66 3.051 -4.730 -6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.562 -2.726 -4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.642 -2.611 -6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.832 -3.143 -4.950 1.00 0.00 H new ATOM 1027 N ARG A 67 1.116 -5.649 -3.882 1.00 0.00 N ATOM 1028 CA ARG A 67 1.118 -6.356 -2.569 1.00 0.00 C ATOM 1029 C ARG A 67 1.693 -7.755 -2.799 1.00 0.00 C ATOM 1030 O ARG A 67 2.673 -8.139 -2.214 1.00 0.00 O ATOM 1031 CB ARG A 67 -0.293 -6.400 -2.002 1.00 0.00 C ATOM 1032 CG ARG A 67 -0.386 -6.779 -0.521 1.00 0.00 C ATOM 1033 CD ARG A 67 0.946 -7.001 0.171 1.00 0.00 C ATOM 1034 NE ARG A 67 0.932 -8.350 0.842 1.00 0.00 N ATOM 1035 CZ ARG A 67 0.642 -8.444 2.114 1.00 0.00 C ATOM 1036 NH1 ARG A 67 1.542 -8.115 3.014 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -0.538 -8.860 2.456 1.00 0.00 N ATOM 0 H ARG A 67 0.186 -5.424 -4.236 1.00 0.00 H new ATOM 0 HA ARG A 67 1.734 -5.834 -1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.754 -5.422 -2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.879 -7.114 -2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.925 -5.992 0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.981 -7.688 -0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.759 -6.949 -0.553 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.123 -6.217 0.907 1.00 0.00 H new ATOM 0 HE ARG A 67 1.149 -9.189 0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.462 -7.788 2.719 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.320 -8.187 4.007 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.220 -9.107 1.738 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.784 -8.941 3.443 1.00 0.00 H new ATOM 1051 N ASP A 68 1.107 -8.554 -3.666 1.00 0.00 N ATOM 1052 CA ASP A 68 1.613 -9.934 -3.938 1.00 0.00 C ATOM 1053 C ASP A 68 3.052 -9.943 -4.489 1.00 0.00 C ATOM 1054 O ASP A 68 3.791 -10.892 -4.381 1.00 0.00 O ATOM 1055 CB ASP A 68 0.648 -10.703 -4.865 1.00 0.00 C ATOM 1056 CG ASP A 68 -0.399 -11.457 -4.043 1.00 0.00 C ATOM 1057 OD1 ASP A 68 -1.315 -10.810 -3.582 1.00 0.00 O ATOM 1058 OD2 ASP A 68 -0.237 -12.644 -3.914 1.00 0.00 O ATOM 0 H ASP A 68 0.281 -8.297 -4.206 1.00 0.00 H new ATOM 0 HA ASP A 68 1.650 -10.452 -2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.154 -10.007 -5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.209 -11.405 -5.482 1.00 0.00 H new ATOM 1063 N ALA A 69 3.459 -8.853 -5.095 1.00 0.00 N ATOM 1064 CA ALA A 69 4.847 -8.839 -5.637 1.00 0.00 C ATOM 1065 C ALA A 69 5.808 -8.558 -4.460 1.00 0.00 C ATOM 1066 O ALA A 69 6.782 -9.289 -4.344 1.00 0.00 O ATOM 1067 CB ALA A 69 5.034 -7.818 -6.751 1.00 0.00 C ATOM 0 H ALA A 69 2.911 -8.004 -5.233 1.00 0.00 H new ATOM 0 HA ALA A 69 5.061 -9.807 -6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.064 -7.853 -7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.357 -8.049 -7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.815 -6.820 -6.371 1.00 0.00 H new ATOM 1073 N LEU A 70 5.554 -7.565 -3.641 1.00 0.00 N ATOM 1074 CA LEU A 70 6.508 -7.325 -2.509 1.00 0.00 C ATOM 1075 C LEU A 70 5.789 -7.792 -1.221 1.00 0.00 C ATOM 1076 O LEU A 70 5.860 -7.144 -0.207 1.00 0.00 O ATOM 1077 CB LEU A 70 6.994 -5.885 -2.405 1.00 0.00 C ATOM 1078 CG LEU A 70 5.852 -4.935 -2.759 1.00 0.00 C ATOM 1079 CD1 LEU A 70 5.923 -3.594 -2.022 1.00 0.00 C ATOM 1080 CD2 LEU A 70 5.912 -4.703 -4.277 1.00 0.00 C ATOM 0 H LEU A 70 4.758 -6.930 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 70 7.424 -7.891 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.350 -5.682 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.836 -5.725 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 70 4.912 -5.391 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.081 -2.969 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.882 -3.767 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.856 -3.090 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.110 -4.027 -4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.874 -4.263 -4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.795 -5.655 -4.795 1.00 0.00 H new ATOM 1092 N GLN A 71 5.116 -8.905 -1.283 1.00 0.00 N ATOM 1093 CA GLN A 71 4.374 -9.487 -0.130 1.00 0.00 C ATOM 1094 C GLN A 71 5.314 -10.129 0.914 1.00 0.00 C ATOM 1095 O GLN A 71 5.049 -11.212 1.374 1.00 0.00 O ATOM 1096 CB GLN A 71 3.406 -10.575 -0.598 1.00 0.00 C ATOM 1097 CG GLN A 71 4.166 -11.765 -1.216 1.00 0.00 C ATOM 1098 CD GLN A 71 3.737 -13.079 -0.564 1.00 0.00 C ATOM 1099 OE1 GLN A 71 4.396 -13.609 0.305 1.00 0.00 O ATOM 1100 NE2 GLN A 71 2.628 -13.620 -0.983 1.00 0.00 N ATOM 0 H GLN A 71 5.047 -9.464 -2.133 1.00 0.00 H new ATOM 0 HA GLN A 71 3.838 -8.655 0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.807 -10.920 0.245 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.715 -10.160 -1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.976 -11.807 -2.288 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.239 -11.623 -1.088 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.083 -13.164 -1.715 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.305 -14.499 -0.579 1.00 0.00 H new ATOM 1109 N GLY A 72 6.371 -9.489 1.273 1.00 0.00 N ATOM 1110 CA GLY A 72 7.359 -10.015 2.265 1.00 0.00 C ATOM 1111 C GLY A 72 8.692 -9.309 1.947 1.00 0.00 C ATOM 1112 O GLY A 72 9.714 -9.916 1.771 1.00 0.00 O ATOM 0 H GLY A 72 6.615 -8.569 0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.039 -9.804 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.460 -11.097 2.180 1.00 0.00 H new ATOM 1116 N PHE A 73 8.571 -8.003 1.881 1.00 0.00 N ATOM 1117 CA PHE A 73 9.761 -7.157 1.573 1.00 0.00 C ATOM 1118 C PHE A 73 10.731 -7.338 2.764 1.00 0.00 C ATOM 1119 O PHE A 73 10.692 -6.512 3.628 1.00 0.00 O ATOM 1120 CB PHE A 73 9.408 -5.709 1.323 1.00 0.00 C ATOM 1121 CG PHE A 73 10.477 -5.045 0.462 1.00 0.00 C ATOM 1122 CD1 PHE A 73 10.462 -5.255 -0.921 1.00 0.00 C ATOM 1123 CD2 PHE A 73 11.438 -4.246 1.088 1.00 0.00 C ATOM 1124 CE1 PHE A 73 11.455 -4.629 -1.684 1.00 0.00 C ATOM 1125 CE2 PHE A 73 12.419 -3.633 0.317 1.00 0.00 C ATOM 1126 CZ PHE A 73 12.424 -3.828 -1.075 1.00 0.00 C ATOM 0 H PHE A 73 7.701 -7.491 2.027 1.00 0.00 H new ATOM 0 HA PHE A 73 10.226 -7.473 0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.440 -5.644 0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.316 -5.181 2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.711 -5.878 -1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.419 -4.106 2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 73 11.472 -4.767 -2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 73 13.170 -3.013 0.783 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.184 -3.354 -1.679 1.00 0.00 H new ATOM 1136 N LYS A 74 11.495 -8.386 2.705 1.00 0.00 N ATOM 1137 CA LYS A 74 12.480 -8.771 3.702 1.00 0.00 C ATOM 1138 C LYS A 74 13.018 -7.689 4.611 1.00 0.00 C ATOM 1139 O LYS A 74 14.240 -7.554 4.617 1.00 0.00 O ATOM 1140 CB LYS A 74 13.654 -9.609 3.114 1.00 0.00 C ATOM 1141 CG LYS A 74 13.780 -9.461 1.625 1.00 0.00 C ATOM 1142 CD LYS A 74 15.278 -9.231 1.313 1.00 0.00 C ATOM 1143 CE LYS A 74 15.720 -10.017 0.090 1.00 0.00 C ATOM 1144 NZ LYS A 74 16.737 -11.053 0.466 1.00 0.00 N ATOM 0 H LYS A 74 11.455 -9.039 1.922 1.00 0.00 H new ATOM 0 HA LYS A 74 11.870 -9.396 4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 74 14.587 -9.302 3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 74 13.504 -10.660 3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.414 -10.353 1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.180 -8.623 1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.457 -8.169 1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 74 15.879 -9.526 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.857 -10.498 -0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.141 -9.339 -0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.027 -11.579 -0.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.568 -10.588 0.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.323 -11.711 1.157 1.00 0.00 H new ATOM 1158 N ILE A 75 12.261 -6.947 5.326 1.00 0.00 N ATOM 1159 CA ILE A 75 12.996 -6.024 6.263 1.00 0.00 C ATOM 1160 C ILE A 75 13.675 -7.197 7.061 1.00 0.00 C ATOM 1161 O ILE A 75 14.717 -6.913 7.523 1.00 0.00 O ATOM 1162 CB ILE A 75 12.120 -5.329 7.260 1.00 0.00 C ATOM 1163 CG1 ILE A 75 11.074 -4.399 6.679 1.00 0.00 C ATOM 1164 CG2 ILE A 75 13.063 -4.596 8.248 1.00 0.00 C ATOM 1165 CD1 ILE A 75 11.534 -3.845 5.311 1.00 0.00 C ATOM 0 H ILE A 75 11.241 -6.915 5.328 1.00 0.00 H new ATOM 0 HA ILE A 75 13.564 -5.232 5.775 1.00 0.00 H new ATOM 0 HB ILE A 75 11.511 -6.083 7.758 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.131 -4.932 6.562 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.891 -3.574 7.368 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.469 -4.072 8.997 1.00 0.00 H new ATOM 0 HG22 ILE A 75 13.710 -5.322 8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 75 13.674 -3.877 7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.768 -3.180 4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 75 12.465 -3.292 5.437 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.693 -4.672 4.619 1.00 0.00 H new ATOM 1177 N THR A 76 13.019 -8.345 7.097 1.00 0.00 N ATOM 1178 CA THR A 76 13.494 -9.611 7.680 1.00 0.00 C ATOM 1179 C THR A 76 14.984 -9.688 7.465 1.00 0.00 C ATOM 1180 O THR A 76 15.640 -10.399 8.171 1.00 0.00 O ATOM 1181 CB THR A 76 13.052 -10.665 6.609 1.00 0.00 C ATOM 1182 OG1 THR A 76 11.696 -10.614 6.295 1.00 0.00 O ATOM 1183 CG2 THR A 76 13.548 -11.942 7.216 1.00 0.00 C ATOM 0 H THR A 76 12.084 -8.435 6.699 1.00 0.00 H new ATOM 0 HA THR A 76 13.169 -9.726 8.714 1.00 0.00 H new ATOM 0 HB THR A 76 13.467 -10.501 5.615 1.00 0.00 H new ATOM 0 HG1 THR A 76 11.214 -10.138 7.003 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.302 -12.777 6.560 1.00 0.00 H new ATOM 0 HG22 THR A 76 14.629 -11.888 7.344 1.00 0.00 H new ATOM 0 HG23 THR A 76 13.074 -12.092 8.186 1.00 0.00 H new ATOM 1191 N GLN A 77 15.379 -8.965 6.468 1.00 0.00 N ATOM 1192 CA GLN A 77 16.883 -8.905 6.283 1.00 0.00 C ATOM 1193 C GLN A 77 17.257 -8.603 7.772 1.00 0.00 C ATOM 1194 O GLN A 77 18.362 -8.753 8.215 1.00 0.00 O ATOM 1195 CB GLN A 77 17.340 -7.878 5.319 1.00 0.00 C ATOM 1196 CG GLN A 77 17.556 -6.489 5.961 1.00 0.00 C ATOM 1197 CD GLN A 77 18.412 -5.658 5.007 1.00 0.00 C ATOM 1198 OE1 GLN A 77 19.579 -5.397 5.210 1.00 0.00 O ATOM 1199 NE2 GLN A 77 17.849 -5.208 3.914 1.00 0.00 N ATOM 0 H GLN A 77 14.799 -8.444 5.810 1.00 0.00 H new ATOM 0 HA GLN A 77 17.346 -9.788 5.842 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.273 -8.208 4.862 1.00 0.00 H new ATOM 0 HB3 GLN A 77 16.606 -7.790 4.518 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.599 -5.999 6.140 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.049 -6.588 6.928 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.869 -5.415 3.723 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.391 -4.650 3.254 1.00 0.00 H new ATOM 1208 N ASN A 78 16.216 -8.195 8.486 1.00 0.00 N ATOM 1209 CA ASN A 78 16.201 -7.934 9.927 1.00 0.00 C ATOM 1210 C ASN A 78 14.773 -8.434 10.329 1.00 0.00 C ATOM 1211 O ASN A 78 14.676 -9.227 11.229 1.00 0.00 O ATOM 1212 CB ASN A 78 16.320 -6.445 10.281 1.00 0.00 C ATOM 1213 CG ASN A 78 16.783 -6.310 11.716 1.00 0.00 C ATOM 1214 OD1 ASN A 78 16.002 -6.029 12.605 1.00 0.00 O ATOM 1215 ND2 ASN A 78 18.035 -6.494 12.019 1.00 0.00 N ATOM 0 H ASN A 78 15.307 -8.027 8.055 1.00 0.00 H new ATOM 0 HA ASN A 78 17.039 -8.414 10.432 1.00 0.00 H new ATOM 0 HB2 ASN A 78 17.026 -5.955 9.611 1.00 0.00 H new ATOM 0 HB3 ASN A 78 15.358 -5.949 10.148 1.00 0.00 H new ATOM 0 HD21 ASN A 78 18.344 -6.402 12.987 1.00 0.00 H new ATOM 0 HD22 ASN A 78 18.707 -6.730 11.289 1.00 0.00 H new ATOM 1222 N ASN A 79 13.741 -8.006 9.611 1.00 0.00 N ATOM 1223 CA ASN A 79 12.347 -8.465 9.815 1.00 0.00 C ATOM 1224 C ASN A 79 11.457 -8.718 8.621 1.00 0.00 C ATOM 1225 O ASN A 79 11.381 -9.738 7.974 1.00 0.00 O ATOM 1226 CB ASN A 79 11.643 -7.354 10.621 1.00 0.00 C ATOM 1227 CG ASN A 79 11.915 -7.417 12.092 1.00 0.00 C ATOM 1228 OD1 ASN A 79 12.973 -7.687 12.617 1.00 0.00 O ATOM 1229 ND2 ASN A 79 10.913 -7.158 12.907 1.00 0.00 N ATOM 0 H ASN A 79 13.836 -7.323 8.859 1.00 0.00 H new ATOM 0 HA ASN A 79 12.466 -9.445 10.276 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.963 -6.383 10.242 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.568 -7.422 10.455 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.055 -7.192 13.917 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.995 -6.924 12.529 1.00 0.00 H new ATOM 1236 N ALA A 80 10.598 -7.830 8.164 1.00 0.00 N ATOM 1237 CA ALA A 80 9.674 -8.117 7.008 1.00 0.00 C ATOM 1238 C ALA A 80 8.731 -6.951 6.793 1.00 0.00 C ATOM 1239 O ALA A 80 8.103 -6.527 7.757 1.00 0.00 O ATOM 1240 CB ALA A 80 8.783 -9.339 7.322 1.00 0.00 C ATOM 0 H ALA A 80 10.496 -6.893 8.554 1.00 0.00 H new ATOM 0 HA ALA A 80 10.295 -8.296 6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.121 -9.533 6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.412 -10.212 7.499 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.186 -9.135 8.211 1.00 0.00 H new ATOM 1246 N MET A 81 8.637 -6.466 5.596 1.00 0.00 N ATOM 1247 CA MET A 81 7.680 -5.321 5.438 1.00 0.00 C ATOM 1248 C MET A 81 6.273 -5.679 5.872 1.00 0.00 C ATOM 1249 O MET A 81 5.894 -6.827 5.741 1.00 0.00 O ATOM 1250 CB MET A 81 7.695 -4.849 3.972 1.00 0.00 C ATOM 1251 CG MET A 81 6.433 -4.068 3.626 1.00 0.00 C ATOM 1252 SD MET A 81 6.853 -2.645 2.562 1.00 0.00 S ATOM 1253 CE MET A 81 6.776 -3.566 1.001 1.00 0.00 C ATOM 0 H MET A 81 9.138 -6.777 4.764 1.00 0.00 H new ATOM 0 HA MET A 81 8.008 -4.513 6.092 1.00 0.00 H new ATOM 0 HB2 MET A 81 8.571 -4.224 3.799 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.783 -5.712 3.311 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.722 -4.717 3.115 1.00 0.00 H new ATOM 0 HG3 MET A 81 5.949 -3.720 4.538 1.00 0.00 H new ATOM 0 HE1 MET A 81 7.773 -3.628 0.566 1.00 0.00 H new ATOM 0 HE2 MET A 81 6.399 -4.571 1.190 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.109 -3.053 0.308 1.00 0.00 H new ATOM 1263 N LYS A 82 5.433 -4.794 6.376 1.00 0.00 N ATOM 1264 CA LYS A 82 4.050 -5.133 6.774 1.00 0.00 C ATOM 1265 C LYS A 82 3.125 -4.031 6.168 1.00 0.00 C ATOM 1266 O LYS A 82 3.309 -2.899 6.552 1.00 0.00 O ATOM 1267 CB LYS A 82 3.920 -5.273 8.295 1.00 0.00 C ATOM 1268 CG LYS A 82 3.939 -6.765 8.704 1.00 0.00 C ATOM 1269 CD LYS A 82 3.158 -6.945 10.007 1.00 0.00 C ATOM 1270 CE LYS A 82 1.653 -6.895 9.709 1.00 0.00 C ATOM 1271 NZ LYS A 82 1.050 -8.135 10.264 1.00 0.00 N ATOM 0 H LYS A 82 5.676 -3.815 6.527 1.00 0.00 H new ATOM 0 HA LYS A 82 3.752 -6.108 6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.737 -4.745 8.786 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.993 -4.809 8.631 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.498 -7.375 7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.967 -7.105 8.833 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.417 -7.897 10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.426 -6.162 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.201 -6.012 10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.476 -6.829 8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.026 -8.136 10.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.484 -8.965 9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.217 -8.173 11.290 1.00 0.00 H new ATOM 1285 N ILE A 83 2.326 -4.520 5.264 1.00 0.00 N ATOM 1286 CA ILE A 83 1.377 -3.769 4.398 1.00 0.00 C ATOM 1287 C ILE A 83 0.028 -4.511 4.538 1.00 0.00 C ATOM 1288 O ILE A 83 -0.167 -5.656 4.188 1.00 0.00 O ATOM 1289 CB ILE A 83 1.885 -3.910 2.937 1.00 0.00 C ATOM 1290 CG1 ILE A 83 2.792 -2.699 2.659 1.00 0.00 C ATOM 1291 CG2 ILE A 83 0.667 -3.817 2.040 1.00 0.00 C ATOM 1292 CD1 ILE A 83 3.542 -2.982 1.358 1.00 0.00 C ATOM 0 H ILE A 83 2.296 -5.522 5.076 1.00 0.00 H new ATOM 0 HA ILE A 83 1.287 -2.715 4.661 1.00 0.00 H new ATOM 0 HB ILE A 83 2.423 -4.843 2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.200 -1.788 2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.492 -2.546 3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.974 -3.911 0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.029 -4.619 2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.178 -2.854 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.198 -2.143 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.138 -3.888 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.826 -3.117 0.547 1.00 0.00 H new ATOM 1304 N SER A 84 -0.880 -3.771 5.111 1.00 0.00 N ATOM 1305 CA SER A 84 -2.268 -4.207 5.455 1.00 0.00 C ATOM 1306 C SER A 84 -3.271 -3.419 4.580 1.00 0.00 C ATOM 1307 O SER A 84 -3.500 -2.288 4.855 1.00 0.00 O ATOM 1308 CB SER A 84 -2.662 -3.970 6.892 1.00 0.00 C ATOM 1309 OG SER A 84 -4.095 -4.014 6.955 1.00 0.00 O ATOM 0 H SER A 84 -0.698 -2.803 5.375 1.00 0.00 H new ATOM 0 HA SER A 84 -2.289 -5.283 5.279 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.225 -4.730 7.540 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.292 -3.005 7.238 1.00 0.00 H new ATOM 0 HG SER A 84 -4.387 -3.865 7.879 1.00 0.00 H new ATOM 1315 N PHE A 85 -3.758 -4.067 3.588 1.00 0.00 N ATOM 1316 CA PHE A 85 -4.760 -3.458 2.651 1.00 0.00 C ATOM 1317 C PHE A 85 -5.861 -2.788 3.448 1.00 0.00 C ATOM 1318 O PHE A 85 -6.031 -2.966 4.648 1.00 0.00 O ATOM 1319 CB PHE A 85 -5.415 -4.559 1.789 1.00 0.00 C ATOM 1320 CG PHE A 85 -5.382 -5.905 2.439 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -6.243 -6.175 3.500 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -4.470 -6.851 1.949 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -6.214 -7.431 4.099 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -4.446 -8.106 2.557 1.00 0.00 C ATOM 1325 CZ PHE A 85 -5.316 -8.394 3.625 1.00 0.00 C ATOM 0 H PHE A 85 -3.507 -5.030 3.363 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.244 -2.735 2.019 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.450 -4.285 1.585 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.904 -4.613 0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.926 -5.417 3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.808 -6.616 1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.877 -7.660 4.920 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.757 -8.860 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.290 -9.371 4.085 1.00 0.00 H new ATOM 1335 N ALA A 86 -6.693 -1.970 2.862 1.00 0.00 N ATOM 1336 CA ALA A 86 -7.752 -1.284 3.612 1.00 0.00 C ATOM 1337 C ALA A 86 -8.878 -2.197 4.069 1.00 0.00 C ATOM 1338 O ALA A 86 -9.861 -1.659 4.569 1.00 0.00 O ATOM 1339 CB ALA A 86 -8.343 -0.190 2.694 1.00 0.00 C ATOM 0 H ALA A 86 -6.671 -1.751 1.866 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.300 -0.879 4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.135 0.340 3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.559 0.514 2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.753 -0.651 1.795 1.00 0.00 H new ATOM 1345 N LYS A 87 -8.809 -3.493 3.941 1.00 0.00 N ATOM 1346 CA LYS A 87 -9.907 -4.423 4.394 1.00 0.00 C ATOM 1347 C LYS A 87 -10.245 -4.054 5.851 1.00 0.00 C ATOM 1348 O LYS A 87 -9.472 -4.314 6.734 1.00 0.00 O ATOM 1349 CB LYS A 87 -9.488 -5.879 4.316 1.00 0.00 C ATOM 1350 CG LYS A 87 -10.392 -6.801 5.150 1.00 0.00 C ATOM 1351 CD LYS A 87 -11.680 -7.064 4.344 1.00 0.00 C ATOM 1352 CE LYS A 87 -12.199 -8.452 4.680 1.00 0.00 C ATOM 1353 NZ LYS A 87 -13.515 -8.709 4.017 1.00 0.00 N ATOM 0 H LYS A 87 -8.010 -3.972 3.526 1.00 0.00 H new ATOM 0 HA LYS A 87 -10.771 -4.309 3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.506 -6.203 3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.459 -5.976 4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.881 -7.739 5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.630 -6.337 6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.433 -6.313 4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.478 -6.986 3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.475 -9.202 4.361 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.307 -8.552 5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.847 -9.663 4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.210 -8.006 4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.404 -8.636 2.986 1.00 0.00 H new ATOM 1367 N LYS A 88 -11.386 -3.467 6.003 1.00 0.00 N ATOM 1368 CA LYS A 88 -11.938 -3.010 7.328 1.00 0.00 C ATOM 1369 C LYS A 88 -13.185 -3.791 7.685 1.00 0.00 C ATOM 1370 O LYS A 88 -14.116 -3.714 6.916 1.00 0.00 O ATOM 1371 CB LYS A 88 -12.233 -1.504 7.199 1.00 0.00 C ATOM 1372 CG LYS A 88 -13.160 -0.986 8.287 1.00 0.00 C ATOM 1373 CD LYS A 88 -13.794 0.306 7.735 1.00 0.00 C ATOM 1374 CE LYS A 88 -14.179 1.242 8.891 1.00 0.00 C ATOM 1375 NZ LYS A 88 -14.778 2.482 8.326 1.00 0.00 N ATOM 1376 OXT LYS A 88 -13.196 -4.458 8.719 1.00 0.00 O ATOM 0 H LYS A 88 -12.008 -3.267 5.220 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.222 -3.185 8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -11.294 -0.951 7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -12.681 -1.309 6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.926 -1.723 8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.608 -0.787 9.206 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.093 0.808 7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -14.677 0.063 7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -14.889 0.749 9.555 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.300 1.486 9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.043 3.124 9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -14.086 2.952 7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.625 2.238 7.774 1.00 0.00 H new TER 1390 LYS A 88