USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 711 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 36 ASN : amide:sc= -4.52! C(o=-18!,f=-18!) USER MOD Set 1.2: A 37 ASN : amide:sc= -13.6! C(o=-18!,f=-19!) USER MOD Set 2.1: A 14 HIS : no HD1:sc= -1.62 X(o=-12,f=-13) USER MOD Set 2.2: A 60 HIS : no HE2:sc= -10.6! C(o=-12!,f=-29!) USER MOD Set 3.1: A 3 GLN :FLIP amide:sc= -6.66! C(o=-8.1!,f=-5.6!) USER MOD Set 3.2: A 66 TYR OH : rot 146:sc= 1.07 USER MOD Single : A 5 ASN : amide:sc= -0.231 K(o=-0.23,f=-2.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= -0.0463 (180deg=-0.529) USER MOD Single : A 13 LYS NZ :NH3+ 158:sc=-0.00644 (180deg=-0.659) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-3.8!) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.0809 (180deg=-0.812) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= -0.0779 (180deg=-0.575) USER MOD Single : A 30 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.38) USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= -0.0844 (180deg=-0.715) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.51) USER MOD Single : A 55 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.5) USER MOD Single : A 56 SER OG : rot 180:sc= -0.681! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0532) USER MOD Single : A 71 SER OG : rot 180:sc= -0.979! USER MOD Single : A 73 ASN : amide:sc= -1.67! C(o=-1.7!,f=-6.6!) USER MOD Single : A 76 ASN : amide:sc= -5.17! C(o=-5.2!,f=-5.7!) USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -12.206 11.975 -6.067 1.00 0.00 N ATOM 19 CA GLU A 2 -12.643 10.585 -6.110 1.00 0.00 C ATOM 20 C GLU A 2 -11.444 9.644 -6.123 1.00 0.00 C ATOM 21 O GLU A 2 -11.435 8.629 -5.428 1.00 0.00 O ATOM 22 CB GLU A 2 -13.493 10.342 -7.359 1.00 0.00 C ATOM 23 CG GLU A 2 -14.821 11.090 -7.226 1.00 0.00 C ATOM 24 CD GLU A 2 -15.697 10.413 -6.178 1.00 0.00 C ATOM 25 OE1 GLU A 2 -16.031 9.256 -6.371 1.00 0.00 O ATOM 26 OE2 GLU A 2 -16.022 11.062 -5.196 1.00 0.00 O ATOM 0 HA GLU A 2 -13.238 10.386 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.959 10.682 -8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.676 9.275 -7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.637 12.127 -6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.336 11.107 -8.186 1.00 0.00 H new ATOM 33 N GLN A 3 -10.436 9.986 -6.918 1.00 0.00 N ATOM 34 CA GLN A 3 -9.235 9.163 -7.019 1.00 0.00 C ATOM 35 C GLN A 3 -8.771 8.715 -5.638 1.00 0.00 C ATOM 36 O GLN A 3 -8.981 7.568 -5.246 1.00 0.00 O ATOM 37 CB GLN A 3 -8.121 9.956 -7.710 1.00 0.00 C ATOM 38 CG GLN A 3 -7.041 8.998 -8.222 1.00 0.00 C ATOM 39 CD GLN A 3 -6.304 8.365 -7.047 1.00 0.00 C ATOM 40 OE1 GLN A 3 -5.955 7.109 -7.110 1.00 0.00 O flip ATOM 41 NE2 GLN A 3 -6.041 9.030 -6.045 1.00 0.00 N flip ATOM 0 H GLN A 3 -10.426 10.824 -7.500 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.470 8.277 -7.609 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.533 10.531 -8.540 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.685 10.671 -7.012 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.495 8.222 -8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.337 9.537 -8.856 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.315 10.011 -5.998 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.549 8.600 -5.262 1.00 0.00 H new ATOM 50 N PHE A 4 -8.150 9.627 -4.899 1.00 0.00 N ATOM 51 CA PHE A 4 -7.674 9.312 -3.558 1.00 0.00 C ATOM 52 C PHE A 4 -8.736 8.512 -2.815 1.00 0.00 C ATOM 53 O PHE A 4 -8.457 7.453 -2.252 1.00 0.00 O ATOM 54 CB PHE A 4 -7.369 10.610 -2.798 1.00 0.00 C ATOM 55 CG PHE A 4 -6.137 10.427 -1.941 1.00 0.00 C ATOM 56 CD1 PHE A 4 -4.868 10.437 -2.532 1.00 0.00 C ATOM 57 CD2 PHE A 4 -6.264 10.248 -0.559 1.00 0.00 C ATOM 58 CE1 PHE A 4 -3.726 10.268 -1.740 1.00 0.00 C ATOM 59 CE2 PHE A 4 -5.122 10.079 0.233 1.00 0.00 C ATOM 60 CZ PHE A 4 -3.853 10.089 -0.357 1.00 0.00 C ATOM 0 H PHE A 4 -7.965 10.583 -5.203 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.762 8.719 -3.628 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.214 11.427 -3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.219 10.885 -2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.770 10.575 -3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.243 10.240 -0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.747 10.276 -2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.220 9.941 1.300 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.972 9.959 0.254 1.00 0.00 H new ATOM 70 N ASN A 5 -9.954 9.034 -2.823 1.00 0.00 N ATOM 71 CA ASN A 5 -11.065 8.375 -2.153 1.00 0.00 C ATOM 72 C ASN A 5 -11.292 6.978 -2.724 1.00 0.00 C ATOM 73 O ASN A 5 -11.831 6.105 -2.047 1.00 0.00 O ATOM 74 CB ASN A 5 -12.339 9.205 -2.319 1.00 0.00 C ATOM 75 CG ASN A 5 -13.398 8.740 -1.326 1.00 0.00 C ATOM 76 OD1 ASN A 5 -13.142 7.852 -0.514 1.00 0.00 O ATOM 77 ND2 ASN A 5 -14.582 9.290 -1.345 1.00 0.00 N ATOM 0 H ASN A 5 -10.197 9.910 -3.285 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.820 8.285 -1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -12.118 10.261 -2.160 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.716 9.108 -3.337 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -15.297 8.984 -0.686 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -14.792 10.026 -2.019 1.00 0.00 H new ATOM 84 N ALA A 6 -10.884 6.771 -3.975 1.00 0.00 N ATOM 85 CA ALA A 6 -11.062 5.473 -4.617 1.00 0.00 C ATOM 86 C ALA A 6 -9.929 4.522 -4.242 1.00 0.00 C ATOM 87 O ALA A 6 -10.157 3.482 -3.619 1.00 0.00 O ATOM 88 CB ALA A 6 -11.108 5.646 -6.135 1.00 0.00 C ATOM 0 H ALA A 6 -10.433 7.477 -4.557 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.003 5.045 -4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.241 4.673 -6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.941 6.296 -6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.175 6.092 -6.479 1.00 0.00 H new ATOM 94 N PHE A 7 -8.706 4.887 -4.613 1.00 0.00 N ATOM 95 CA PHE A 7 -7.552 4.055 -4.297 1.00 0.00 C ATOM 96 C PHE A 7 -7.485 3.816 -2.791 1.00 0.00 C ATOM 97 O PHE A 7 -7.304 2.686 -2.337 1.00 0.00 O ATOM 98 CB PHE A 7 -6.262 4.732 -4.797 1.00 0.00 C ATOM 99 CG PHE A 7 -5.179 4.644 -3.744 1.00 0.00 C ATOM 100 CD1 PHE A 7 -4.817 5.782 -3.014 1.00 0.00 C ATOM 101 CD2 PHE A 7 -4.539 3.422 -3.499 1.00 0.00 C ATOM 102 CE1 PHE A 7 -3.815 5.701 -2.040 1.00 0.00 C ATOM 103 CE2 PHE A 7 -3.537 3.340 -2.525 1.00 0.00 C ATOM 104 CZ PHE A 7 -3.174 4.479 -1.795 1.00 0.00 C ATOM 0 H PHE A 7 -8.490 5.742 -5.126 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.653 3.093 -4.799 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.925 4.253 -5.716 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.461 5.776 -5.037 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.311 6.724 -3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.819 2.543 -4.061 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.536 6.580 -1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.044 2.398 -2.336 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.401 4.416 -1.044 1.00 0.00 H new ATOM 114 N LYS A 8 -7.633 4.891 -2.025 1.00 0.00 N ATOM 115 CA LYS A 8 -7.589 4.795 -0.571 1.00 0.00 C ATOM 116 C LYS A 8 -8.716 3.912 -0.045 1.00 0.00 C ATOM 117 O LYS A 8 -8.491 3.027 0.788 1.00 0.00 O ATOM 118 CB LYS A 8 -7.709 6.189 0.047 1.00 0.00 C ATOM 119 CG LYS A 8 -7.334 6.122 1.529 1.00 0.00 C ATOM 120 CD LYS A 8 -7.354 7.533 2.128 1.00 0.00 C ATOM 121 CE LYS A 8 -8.797 8.038 2.221 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.873 9.135 3.227 1.00 0.00 N ATOM 0 H LYS A 8 -7.784 5.834 -2.384 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.636 4.347 -0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.054 6.887 -0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.727 6.562 -0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.034 5.479 2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.344 5.681 1.645 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.898 7.524 3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.762 8.208 1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.132 8.398 1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.462 7.222 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.852 9.479 3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.570 8.777 4.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.250 9.916 2.937 1.00 0.00 H new ATOM 136 N SER A 9 -9.938 4.156 -0.514 1.00 0.00 N ATOM 137 CA SER A 9 -11.060 3.363 -0.043 1.00 0.00 C ATOM 138 C SER A 9 -10.790 1.890 -0.307 1.00 0.00 C ATOM 139 O SER A 9 -11.384 1.016 0.324 1.00 0.00 O ATOM 140 CB SER A 9 -12.364 3.797 -0.712 1.00 0.00 C ATOM 141 OG SER A 9 -13.384 2.855 -0.406 1.00 0.00 O ATOM 0 H SER A 9 -10.169 4.875 -1.199 1.00 0.00 H new ATOM 0 HA SER A 9 -11.171 3.522 1.030 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.652 4.789 -0.364 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.228 3.865 -1.791 1.00 0.00 H new ATOM 0 HG SER A 9 -14.222 3.131 -0.832 1.00 0.00 H new ATOM 147 N LEU A 10 -9.869 1.616 -1.229 1.00 0.00 N ATOM 148 CA LEU A 10 -9.514 0.240 -1.539 1.00 0.00 C ATOM 149 C LEU A 10 -8.773 -0.363 -0.350 1.00 0.00 C ATOM 150 O LEU A 10 -8.967 -1.528 -0.009 1.00 0.00 O ATOM 151 CB LEU A 10 -8.628 0.191 -2.793 1.00 0.00 C ATOM 152 CG LEU A 10 -8.875 -1.111 -3.567 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.868 -1.220 -4.714 1.00 0.00 C ATOM 154 CD2 LEU A 10 -8.706 -2.312 -2.630 1.00 0.00 C ATOM 0 H LEU A 10 -9.363 2.320 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.420 -0.334 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.842 1.048 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.578 0.260 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.889 -1.104 -3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.042 -2.144 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.988 -0.370 -5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.856 -1.224 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.882 -3.234 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.693 -2.319 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.422 -2.238 -1.811 1.00 0.00 H new ATOM 166 N LEU A 11 -7.935 0.450 0.294 1.00 0.00 N ATOM 167 CA LEU A 11 -7.195 -0.017 1.458 1.00 0.00 C ATOM 168 C LEU A 11 -8.180 -0.405 2.550 1.00 0.00 C ATOM 169 O LEU A 11 -8.071 -1.479 3.136 1.00 0.00 O ATOM 170 CB LEU A 11 -6.245 1.075 1.971 1.00 0.00 C ATOM 171 CG LEU A 11 -4.920 1.026 1.196 1.00 0.00 C ATOM 172 CD1 LEU A 11 -4.285 2.420 1.178 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.959 0.044 1.874 1.00 0.00 C ATOM 0 H LEU A 11 -7.756 1.419 0.032 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.596 -0.883 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.708 2.055 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.058 0.935 3.036 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.115 0.698 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.345 2.384 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.963 3.122 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.095 2.746 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.020 0.013 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.767 0.370 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.405 -0.950 1.888 1.00 0.00 H new ATOM 185 N LYS A 12 -9.160 0.460 2.803 1.00 0.00 N ATOM 186 CA LYS A 12 -10.175 0.164 3.815 1.00 0.00 C ATOM 187 C LYS A 12 -10.535 -1.322 3.767 1.00 0.00 C ATOM 188 O LYS A 12 -10.404 -2.035 4.760 1.00 0.00 O ATOM 189 CB LYS A 12 -11.423 1.018 3.571 1.00 0.00 C ATOM 190 CG LYS A 12 -11.501 2.125 4.626 1.00 0.00 C ATOM 191 CD LYS A 12 -12.134 1.575 5.906 1.00 0.00 C ATOM 192 CE LYS A 12 -12.183 2.679 6.962 1.00 0.00 C ATOM 193 NZ LYS A 12 -13.053 3.789 6.481 1.00 0.00 N ATOM 0 H LYS A 12 -9.274 1.357 2.331 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.776 0.401 4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.388 1.455 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.317 0.395 3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.503 2.509 4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.090 2.960 4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.140 1.209 5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.556 0.728 6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.568 2.282 7.901 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.178 3.051 7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.363 4.363 7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.519 4.386 5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.885 3.394 5.999 1.00 0.00 H new ATOM 207 N LYS A 13 -10.959 -1.785 2.595 1.00 0.00 N ATOM 208 CA LYS A 13 -11.300 -3.192 2.416 1.00 0.00 C ATOM 209 C LYS A 13 -10.180 -4.069 2.971 1.00 0.00 C ATOM 210 O LYS A 13 -10.425 -5.073 3.639 1.00 0.00 O ATOM 211 CB LYS A 13 -11.482 -3.488 0.922 1.00 0.00 C ATOM 212 CG LYS A 13 -12.900 -3.099 0.480 1.00 0.00 C ATOM 213 CD LYS A 13 -13.857 -4.276 0.708 1.00 0.00 C ATOM 214 CE LYS A 13 -15.301 -3.769 0.718 1.00 0.00 C ATOM 215 NZ LYS A 13 -15.481 -2.756 -0.361 1.00 0.00 N ATOM 0 H LYS A 13 -11.074 -1.211 1.760 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.226 -3.407 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.746 -2.933 0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.309 -4.547 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.240 -2.228 1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.898 -2.819 -0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.728 -5.020 -0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.627 -4.767 1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.990 -4.600 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.536 -3.329 1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.489 -2.686 -0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.141 -1.831 -0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.939 -3.043 -1.201 1.00 0.00 H new ATOM 229 N HIS A 14 -8.949 -3.663 2.685 1.00 0.00 N ATOM 230 CA HIS A 14 -7.767 -4.386 3.144 1.00 0.00 C ATOM 231 C HIS A 14 -7.588 -4.254 4.654 1.00 0.00 C ATOM 232 O HIS A 14 -7.652 -5.242 5.385 1.00 0.00 O ATOM 233 CB HIS A 14 -6.526 -3.825 2.445 1.00 0.00 C ATOM 234 CG HIS A 14 -5.392 -4.806 2.567 1.00 0.00 C ATOM 235 ND1 HIS A 14 -5.593 -6.177 2.517 1.00 0.00 N ATOM 236 CD2 HIS A 14 -4.042 -4.631 2.739 1.00 0.00 C ATOM 237 CE1 HIS A 14 -4.393 -6.768 2.655 1.00 0.00 C ATOM 238 NE2 HIS A 14 -3.412 -5.871 2.795 1.00 0.00 N ATOM 0 H HIS A 14 -8.741 -2.831 2.133 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.898 -5.440 2.901 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.743 -3.634 1.394 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.245 -2.871 2.891 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.544 -3.676 2.819 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.240 -7.837 2.653 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.416 -6.055 2.917 1.00 0.00 H new ATOM 247 N TYR A 15 -7.347 -3.028 5.110 1.00 0.00 N ATOM 248 CA TYR A 15 -7.141 -2.769 6.531 1.00 0.00 C ATOM 249 C TYR A 15 -8.477 -2.582 7.245 1.00 0.00 C ATOM 250 O TYR A 15 -8.550 -1.913 8.276 1.00 0.00 O ATOM 251 CB TYR A 15 -6.290 -1.503 6.696 1.00 0.00 C ATOM 252 CG TYR A 15 -4.817 -1.841 6.597 1.00 0.00 C ATOM 253 CD1 TYR A 15 -4.374 -2.854 5.734 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.891 -1.134 7.375 1.00 0.00 C ATOM 255 CE1 TYR A 15 -3.008 -3.156 5.651 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.528 -1.437 7.291 1.00 0.00 C ATOM 257 CZ TYR A 15 -2.086 -2.447 6.430 1.00 0.00 C ATOM 258 OH TYR A 15 -0.741 -2.745 6.349 1.00 0.00 O ATOM 0 H TYR A 15 -7.290 -2.200 4.517 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.629 -3.623 6.973 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.555 -0.776 5.928 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.499 -1.039 7.660 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.086 -3.401 5.133 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.230 -0.354 8.041 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.667 -3.936 4.986 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.816 -0.890 7.892 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.239 -2.160 6.954 1.00 0.00 H new ATOM 268 N GLU A 16 -9.530 -3.174 6.696 1.00 0.00 N ATOM 269 CA GLU A 16 -10.852 -3.056 7.298 1.00 0.00 C ATOM 270 C GLU A 16 -10.804 -3.438 8.773 1.00 0.00 C ATOM 271 O GLU A 16 -11.310 -2.712 9.630 1.00 0.00 O ATOM 272 CB GLU A 16 -11.843 -3.962 6.560 1.00 0.00 C ATOM 273 CG GLU A 16 -13.273 -3.472 6.805 1.00 0.00 C ATOM 274 CD GLU A 16 -13.624 -3.602 8.282 1.00 0.00 C ATOM 275 OE1 GLU A 16 -13.718 -2.579 8.941 1.00 0.00 O ATOM 276 OE2 GLU A 16 -13.795 -4.723 8.735 1.00 0.00 O ATOM 0 H GLU A 16 -9.496 -3.735 5.845 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.180 -2.020 7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.626 -3.960 5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.737 -4.990 6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.369 -2.433 6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.973 -4.053 6.204 1.00 0.00 H new ATOM 283 N LYS A 17 -10.194 -4.583 9.063 1.00 0.00 N ATOM 284 CA LYS A 17 -10.086 -5.057 10.440 1.00 0.00 C ATOM 285 C LYS A 17 -8.754 -4.634 11.053 1.00 0.00 C ATOM 286 O LYS A 17 -8.574 -4.696 12.269 1.00 0.00 O ATOM 287 CB LYS A 17 -10.204 -6.582 10.472 1.00 0.00 C ATOM 288 CG LYS A 17 -11.387 -7.017 9.606 1.00 0.00 C ATOM 289 CD LYS A 17 -11.558 -8.537 9.693 1.00 0.00 C ATOM 290 CE LYS A 17 -10.339 -9.235 9.078 1.00 0.00 C ATOM 291 NZ LYS A 17 -10.732 -10.591 8.605 1.00 0.00 N ATOM 0 H LYS A 17 -9.769 -5.197 8.368 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.894 -4.615 11.023 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.284 -7.037 10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.343 -6.926 11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.297 -6.519 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.222 -6.718 8.571 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.675 -8.840 10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.464 -8.840 9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.950 -8.647 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.540 -9.312 9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.906 -11.066 8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.084 -11.150 9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.481 -10.505 7.888 1.00 0.00 H new ATOM 305 N THR A 18 -7.824 -4.204 10.204 1.00 0.00 N ATOM 306 CA THR A 18 -6.509 -3.772 10.675 1.00 0.00 C ATOM 307 C THR A 18 -6.391 -2.252 10.613 1.00 0.00 C ATOM 308 O THR A 18 -5.315 -1.714 10.354 1.00 0.00 O ATOM 309 CB THR A 18 -5.412 -4.409 9.814 1.00 0.00 C ATOM 310 OG1 THR A 18 -5.786 -5.740 9.486 1.00 0.00 O ATOM 311 CG2 THR A 18 -4.092 -4.425 10.588 1.00 0.00 C ATOM 0 H THR A 18 -7.954 -4.145 9.194 1.00 0.00 H new ATOM 0 HA THR A 18 -6.390 -4.091 11.710 1.00 0.00 H new ATOM 0 HB THR A 18 -5.285 -3.828 8.900 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.087 -6.150 8.934 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.315 -4.878 9.973 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.806 -3.404 10.840 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.214 -5.004 11.503 1.00 0.00 H new ATOM 319 N ILE A 19 -7.502 -1.565 10.857 1.00 0.00 N ATOM 320 CA ILE A 19 -7.504 -0.107 10.828 1.00 0.00 C ATOM 321 C ILE A 19 -6.831 0.447 12.080 1.00 0.00 C ATOM 322 O ILE A 19 -5.893 1.236 11.987 1.00 0.00 O ATOM 323 CB ILE A 19 -8.938 0.418 10.733 1.00 0.00 C ATOM 324 CG1 ILE A 19 -8.920 1.949 10.748 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.761 -0.095 11.920 1.00 0.00 C ATOM 326 CD1 ILE A 19 -10.304 2.480 10.373 1.00 0.00 C ATOM 0 H ILE A 19 -8.404 -1.989 11.075 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.947 0.224 9.951 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.389 0.065 9.806 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.636 2.310 11.736 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.174 2.321 10.046 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.781 0.283 11.846 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.776 -1.185 11.909 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.312 0.252 12.851 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -10.291 3.570 10.384 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.570 2.130 9.375 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.039 2.119 11.092 1.00 0.00 H new ATOM 338 N GLY A 20 -7.321 0.035 13.249 1.00 0.00 N ATOM 339 CA GLY A 20 -6.762 0.500 14.518 1.00 0.00 C ATOM 340 C GLY A 20 -5.269 0.787 14.389 1.00 0.00 C ATOM 341 O GLY A 20 -4.782 1.808 14.872 1.00 0.00 O ATOM 0 H GLY A 20 -8.100 -0.617 13.344 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.282 1.402 14.839 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.925 -0.253 15.289 1.00 0.00 H new ATOM 345 N PHE A 21 -4.552 -0.109 13.719 1.00 0.00 N ATOM 346 CA PHE A 21 -3.120 0.077 13.518 1.00 0.00 C ATOM 347 C PHE A 21 -2.880 1.386 12.778 1.00 0.00 C ATOM 348 O PHE A 21 -2.081 2.220 13.203 1.00 0.00 O ATOM 349 CB PHE A 21 -2.547 -1.092 12.706 1.00 0.00 C ATOM 350 CG PHE A 21 -1.175 -0.732 12.178 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.011 -0.383 10.831 1.00 0.00 C ATOM 352 CD2 PHE A 21 -0.069 -0.751 13.036 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.261 -0.053 10.344 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.201 -0.420 12.548 1.00 0.00 C ATOM 355 CZ PHE A 21 1.365 -0.071 11.203 1.00 0.00 C ATOM 0 H PHE A 21 -4.934 -0.962 13.310 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.622 0.110 14.487 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.483 -1.983 13.331 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.213 -1.331 11.877 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.864 -0.368 10.169 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.195 -1.021 14.074 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.389 0.215 9.306 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.054 -0.434 13.210 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.345 0.185 10.828 1.00 0.00 H new ATOM 365 N HIS A 22 -3.592 1.553 11.673 1.00 0.00 N ATOM 366 CA HIS A 22 -3.477 2.760 10.870 1.00 0.00 C ATOM 367 C HIS A 22 -3.850 3.988 11.696 1.00 0.00 C ATOM 368 O HIS A 22 -3.064 4.925 11.816 1.00 0.00 O ATOM 369 CB HIS A 22 -4.400 2.659 9.654 1.00 0.00 C ATOM 370 CG HIS A 22 -4.274 3.904 8.823 1.00 0.00 C ATOM 371 ND1 HIS A 22 -4.834 5.110 9.214 1.00 0.00 N ATOM 372 CD2 HIS A 22 -3.656 4.149 7.622 1.00 0.00 C ATOM 373 CE1 HIS A 22 -4.545 6.017 8.265 1.00 0.00 C ATOM 374 NE2 HIS A 22 -3.830 5.484 7.271 1.00 0.00 N ATOM 0 H HIS A 22 -4.255 0.867 11.313 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.444 2.862 10.537 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.140 1.784 9.059 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.433 2.528 9.978 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.117 3.417 7.039 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.854 7.051 8.302 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -3.485 5.955 6.434 1.00 0.00 H new ATOM 383 N ASP A 23 -5.055 3.979 12.258 1.00 0.00 N ATOM 384 CA ASP A 23 -5.520 5.103 13.064 1.00 0.00 C ATOM 385 C ASP A 23 -4.518 5.439 14.168 1.00 0.00 C ATOM 386 O ASP A 23 -4.609 6.493 14.798 1.00 0.00 O ATOM 387 CB ASP A 23 -6.875 4.760 13.693 1.00 0.00 C ATOM 388 CG ASP A 23 -7.627 6.038 14.048 1.00 0.00 C ATOM 389 OD1 ASP A 23 -8.486 6.431 13.276 1.00 0.00 O ATOM 390 OD2 ASP A 23 -7.334 6.607 15.086 1.00 0.00 O ATOM 0 H ASP A 23 -5.722 3.213 12.171 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.621 5.971 12.413 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.466 4.162 12.999 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.727 4.156 14.588 1.00 0.00 H new ATOM 395 N LYS A 24 -3.579 4.530 14.413 1.00 0.00 N ATOM 396 CA LYS A 24 -2.580 4.735 15.460 1.00 0.00 C ATOM 397 C LYS A 24 -1.240 5.195 14.888 1.00 0.00 C ATOM 398 O LYS A 24 -0.818 6.328 15.126 1.00 0.00 O ATOM 399 CB LYS A 24 -2.378 3.435 16.251 1.00 0.00 C ATOM 400 CG LYS A 24 -1.996 3.761 17.698 1.00 0.00 C ATOM 401 CD LYS A 24 -0.717 4.602 17.714 1.00 0.00 C ATOM 402 CE LYS A 24 -0.121 4.597 19.123 1.00 0.00 C ATOM 403 NZ LYS A 24 -1.222 4.620 20.127 1.00 0.00 N ATOM 0 H LYS A 24 -3.488 3.650 13.906 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.952 5.520 16.118 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.292 2.841 16.232 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.597 2.833 15.786 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.806 4.303 18.185 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.845 2.840 18.261 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.004 4.201 17.001 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.937 5.624 17.404 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.497 3.710 19.265 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.527 5.463 19.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.842 4.904 21.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.950 5.300 19.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.644 3.672 20.202 1.00 0.00 H new ATOM 417 N TYR A 25 -0.559 4.317 14.164 1.00 0.00 N ATOM 418 CA TYR A 25 0.744 4.662 13.609 1.00 0.00 C ATOM 419 C TYR A 25 0.621 5.723 12.522 1.00 0.00 C ATOM 420 O TYR A 25 1.031 6.868 12.706 1.00 0.00 O ATOM 421 CB TYR A 25 1.405 3.409 13.032 1.00 0.00 C ATOM 422 CG TYR A 25 1.941 2.561 14.160 1.00 0.00 C ATOM 423 CD1 TYR A 25 1.126 1.592 14.759 1.00 0.00 C ATOM 424 CD2 TYR A 25 3.253 2.746 14.609 1.00 0.00 C ATOM 425 CE1 TYR A 25 1.624 0.809 15.807 1.00 0.00 C ATOM 426 CE2 TYR A 25 3.752 1.964 15.657 1.00 0.00 C ATOM 427 CZ TYR A 25 2.938 0.995 16.256 1.00 0.00 C ATOM 428 OH TYR A 25 3.429 0.222 17.289 1.00 0.00 O ATOM 0 H TYR A 25 -0.881 3.373 13.949 1.00 0.00 H new ATOM 0 HA TYR A 25 1.358 5.069 14.412 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.683 2.840 12.446 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.214 3.689 12.357 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.113 1.449 14.412 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.881 3.493 14.147 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.996 0.062 16.269 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.765 2.108 16.004 1.00 0.00 H new ATOM 0 HH TYR A 25 4.356 0.477 17.477 1.00 0.00 H new ATOM 438 N ILE A 26 0.062 5.324 11.388 1.00 0.00 N ATOM 439 CA ILE A 26 -0.105 6.237 10.263 1.00 0.00 C ATOM 440 C ILE A 26 -1.061 7.372 10.626 1.00 0.00 C ATOM 441 O ILE A 26 -0.675 8.541 10.628 1.00 0.00 O ATOM 442 CB ILE A 26 -0.631 5.464 9.053 1.00 0.00 C ATOM 443 CG1 ILE A 26 0.431 4.446 8.608 1.00 0.00 C ATOM 444 CG2 ILE A 26 -0.924 6.438 7.909 1.00 0.00 C ATOM 445 CD1 ILE A 26 -0.241 3.249 7.931 1.00 0.00 C ATOM 0 H ILE A 26 -0.283 4.379 11.222 1.00 0.00 H new ATOM 0 HA ILE A 26 0.862 6.676 10.017 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.550 4.942 9.320 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.132 4.917 7.919 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.008 4.110 9.470 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.299 5.885 7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.673 7.161 8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.009 6.962 7.634 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.520 2.533 7.619 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.924 2.770 8.633 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.798 3.590 7.058 1.00 0.00 H new ATOM 457 N LYS A 27 -2.302 7.021 10.940 1.00 0.00 N ATOM 458 CA LYS A 27 -3.300 8.020 11.312 1.00 0.00 C ATOM 459 C LYS A 27 -3.528 9.020 10.183 1.00 0.00 C ATOM 460 O LYS A 27 -4.571 9.001 9.529 1.00 0.00 O ATOM 461 CB LYS A 27 -2.845 8.766 12.569 1.00 0.00 C ATOM 462 CG LYS A 27 -4.014 9.583 13.126 1.00 0.00 C ATOM 463 CD LYS A 27 -3.530 10.439 14.299 1.00 0.00 C ATOM 464 CE LYS A 27 -4.563 11.527 14.598 1.00 0.00 C ATOM 465 NZ LYS A 27 -4.560 12.530 13.496 1.00 0.00 N ATOM 0 H LYS A 27 -2.641 6.059 10.945 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.239 7.502 11.508 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.492 8.057 13.318 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.008 9.423 12.333 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.430 10.220 12.345 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.812 8.917 13.454 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.378 9.815 15.180 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.568 10.892 14.060 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.554 11.085 14.699 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.332 12.012 15.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.907 13.442 13.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.592 12.646 13.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.179 12.203 12.727 1.00 0.00 H new ATOM 479 N ASP A 28 -2.556 9.899 9.963 1.00 0.00 N ATOM 480 CA ASP A 28 -2.678 10.905 8.912 1.00 0.00 C ATOM 481 C ASP A 28 -1.303 11.371 8.442 1.00 0.00 C ATOM 482 O ASP A 28 -0.454 11.750 9.249 1.00 0.00 O ATOM 483 CB ASP A 28 -3.472 12.104 9.432 1.00 0.00 C ATOM 484 CG ASP A 28 -3.674 13.120 8.312 1.00 0.00 C ATOM 485 OD1 ASP A 28 -3.997 12.702 7.212 1.00 0.00 O ATOM 486 OD2 ASP A 28 -3.503 14.299 8.572 1.00 0.00 O ATOM 0 H ASP A 28 -1.684 9.937 10.491 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.201 10.455 8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.438 11.773 9.813 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.943 12.568 10.264 1.00 0.00 H new ATOM 491 N ILE A 29 -1.097 11.346 7.129 1.00 0.00 N ATOM 492 CA ILE A 29 0.173 11.773 6.546 1.00 0.00 C ATOM 493 C ILE A 29 -0.001 13.103 5.820 1.00 0.00 C ATOM 494 O ILE A 29 -1.125 13.549 5.590 1.00 0.00 O ATOM 495 CB ILE A 29 0.676 10.710 5.562 1.00 0.00 C ATOM 496 CG1 ILE A 29 0.696 9.339 6.248 1.00 0.00 C ATOM 497 CG2 ILE A 29 2.087 11.068 5.078 1.00 0.00 C ATOM 498 CD1 ILE A 29 1.491 9.420 7.552 1.00 0.00 C ATOM 0 H ILE A 29 -1.791 11.036 6.449 1.00 0.00 H new ATOM 0 HA ILE A 29 0.902 11.899 7.346 1.00 0.00 H new ATOM 0 HB ILE A 29 0.005 10.674 4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.323 9.011 6.453 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.143 8.598 5.585 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.436 10.307 4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.066 12.037 4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.763 11.115 5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.501 8.442 8.034 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.514 9.728 7.336 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.026 10.147 8.217 1.00 0.00 H new ATOM 510 N ASN A 30 1.115 13.736 5.463 1.00 0.00 N ATOM 511 CA ASN A 30 1.064 15.018 4.764 1.00 0.00 C ATOM 512 C ASN A 30 2.124 15.083 3.668 1.00 0.00 C ATOM 513 O ASN A 30 2.286 16.112 3.011 1.00 0.00 O ATOM 514 CB ASN A 30 1.283 16.163 5.755 1.00 0.00 C ATOM 515 CG ASN A 30 0.957 17.496 5.091 1.00 0.00 C ATOM 516 OD1 ASN A 30 1.851 18.308 4.856 1.00 0.00 O ATOM 517 ND2 ASN A 30 -0.279 17.769 4.771 1.00 0.00 N ATOM 0 H ASN A 30 2.056 13.387 5.644 1.00 0.00 H new ATOM 0 HA ASN A 30 0.081 15.115 4.304 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.653 16.021 6.633 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.317 16.163 6.101 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.506 18.658 4.325 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.018 17.094 4.967 1.00 0.00 H new ATOM 524 N ARG A 31 2.843 13.982 3.474 1.00 0.00 N ATOM 525 CA ARG A 31 3.885 13.926 2.452 1.00 0.00 C ATOM 526 C ARG A 31 3.787 12.634 1.645 1.00 0.00 C ATOM 527 O ARG A 31 4.369 11.613 2.011 1.00 0.00 O ATOM 528 CB ARG A 31 5.267 14.010 3.102 1.00 0.00 C ATOM 529 CG ARG A 31 5.519 15.427 3.626 1.00 0.00 C ATOM 530 CD ARG A 31 5.810 16.386 2.460 1.00 0.00 C ATOM 531 NE ARG A 31 4.839 17.472 2.450 1.00 0.00 N ATOM 532 CZ ARG A 31 5.046 18.573 1.734 1.00 0.00 C ATOM 533 NH1 ARG A 31 6.135 18.694 1.025 1.00 0.00 N ATOM 534 NH2 ARG A 31 4.162 19.534 1.740 1.00 0.00 N ATOM 0 H ARG A 31 2.725 13.120 4.007 1.00 0.00 H new ATOM 0 HA ARG A 31 3.743 14.773 1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.336 13.294 3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.035 13.740 2.377 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.649 15.775 4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.360 15.421 4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.818 16.790 2.554 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.771 15.844 1.515 1.00 0.00 H new ATOM 0 HE ARG A 31 3.986 17.386 3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.827 17.944 1.020 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.295 19.538 0.475 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.311 19.441 2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.322 20.378 1.190 1.00 0.00 H new ATOM 548 N PHE A 32 3.057 12.698 0.538 1.00 0.00 N ATOM 549 CA PHE A 32 2.887 11.546 -0.341 1.00 0.00 C ATOM 550 C PHE A 32 2.829 12.024 -1.787 1.00 0.00 C ATOM 551 O PHE A 32 2.033 12.900 -2.123 1.00 0.00 O ATOM 552 CB PHE A 32 1.598 10.799 0.009 1.00 0.00 C ATOM 553 CG PHE A 32 0.433 11.759 -0.033 1.00 0.00 C ATOM 554 CD1 PHE A 32 0.154 12.569 1.073 1.00 0.00 C ATOM 555 CD2 PHE A 32 -0.367 11.838 -1.179 1.00 0.00 C ATOM 556 CE1 PHE A 32 -0.926 13.459 1.035 1.00 0.00 C ATOM 557 CE2 PHE A 32 -1.448 12.727 -1.218 1.00 0.00 C ATOM 558 CZ PHE A 32 -1.727 13.538 -0.110 1.00 0.00 C ATOM 0 H PHE A 32 2.571 13.539 0.226 1.00 0.00 H new ATOM 0 HA PHE A 32 3.730 10.867 -0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.436 9.982 -0.695 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.681 10.354 1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.772 12.508 1.957 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.150 11.213 -2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.141 14.084 1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.066 12.788 -2.101 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.560 14.224 -0.140 1.00 0.00 H new ATOM 568 N VAL A 33 3.687 11.465 -2.637 1.00 0.00 N ATOM 569 CA VAL A 33 3.723 11.879 -4.038 1.00 0.00 C ATOM 570 C VAL A 33 3.830 10.686 -4.983 1.00 0.00 C ATOM 571 O VAL A 33 4.496 9.691 -4.684 1.00 0.00 O ATOM 572 CB VAL A 33 4.914 12.811 -4.265 1.00 0.00 C ATOM 573 CG1 VAL A 33 4.667 14.138 -3.543 1.00 0.00 C ATOM 574 CG2 VAL A 33 6.181 12.159 -3.708 1.00 0.00 C ATOM 0 H VAL A 33 4.356 10.737 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 33 2.788 12.396 -4.254 1.00 0.00 H new ATOM 0 HB VAL A 33 5.036 12.994 -5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.515 14.803 -3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.762 14.602 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.547 13.954 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.032 12.821 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.058 11.979 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.357 11.212 -4.218 1.00 0.00 H new ATOM 584 N PHE A 34 3.162 10.808 -6.129 1.00 0.00 N ATOM 585 CA PHE A 34 3.163 9.760 -7.145 1.00 0.00 C ATOM 586 C PHE A 34 3.703 10.323 -8.463 1.00 0.00 C ATOM 587 O PHE A 34 3.029 10.287 -9.493 1.00 0.00 O ATOM 588 CB PHE A 34 1.728 9.242 -7.338 1.00 0.00 C ATOM 589 CG PHE A 34 1.607 8.457 -8.626 1.00 0.00 C ATOM 590 CD1 PHE A 34 0.457 8.592 -9.413 1.00 0.00 C ATOM 591 CD2 PHE A 34 2.639 7.602 -9.037 1.00 0.00 C ATOM 592 CE1 PHE A 34 0.338 7.875 -10.609 1.00 0.00 C ATOM 593 CE2 PHE A 34 2.517 6.884 -10.233 1.00 0.00 C ATOM 594 CZ PHE A 34 1.368 7.021 -11.020 1.00 0.00 C ATOM 0 H PHE A 34 2.610 11.629 -6.377 1.00 0.00 H new ATOM 0 HA PHE A 34 3.802 8.937 -6.826 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.448 8.611 -6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.033 10.081 -7.352 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.339 9.250 -9.097 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.527 7.497 -8.432 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.549 7.981 -11.215 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.311 6.223 -10.549 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.276 6.468 -11.943 1.00 0.00 H new ATOM 604 N LYS A 35 4.919 10.868 -8.416 1.00 0.00 N ATOM 605 CA LYS A 35 5.535 11.462 -9.605 1.00 0.00 C ATOM 606 C LYS A 35 6.864 10.791 -9.923 1.00 0.00 C ATOM 607 O LYS A 35 7.836 10.943 -9.184 1.00 0.00 O ATOM 608 CB LYS A 35 5.762 12.958 -9.378 1.00 0.00 C ATOM 609 CG LYS A 35 4.412 13.667 -9.253 1.00 0.00 C ATOM 610 CD LYS A 35 4.639 15.176 -9.132 1.00 0.00 C ATOM 611 CE LYS A 35 3.348 15.853 -8.666 1.00 0.00 C ATOM 612 NZ LYS A 35 2.177 15.179 -9.295 1.00 0.00 N ATOM 0 H LYS A 35 5.494 10.911 -7.575 1.00 0.00 H new ATOM 0 HA LYS A 35 4.860 11.314 -10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.351 13.114 -8.475 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.331 13.380 -10.207 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.793 13.450 -10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.874 13.298 -8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.443 15.377 -8.424 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.950 15.586 -10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.270 15.802 -7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.361 16.909 -8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.345 15.801 -9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.387 14.977 -10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.980 14.288 -8.796 1.00 0.00 H new ATOM 626 N ASN A 36 6.882 10.053 -11.033 1.00 0.00 N ATOM 627 CA ASN A 36 8.072 9.334 -11.496 1.00 0.00 C ATOM 628 C ASN A 36 7.647 7.969 -12.024 1.00 0.00 C ATOM 629 O ASN A 36 7.905 7.625 -13.177 1.00 0.00 O ATOM 630 CB ASN A 36 9.094 9.155 -10.364 1.00 0.00 C ATOM 631 CG ASN A 36 10.151 8.129 -10.760 1.00 0.00 C ATOM 632 OD1 ASN A 36 10.773 8.253 -11.815 1.00 0.00 O ATOM 633 ND2 ASN A 36 10.393 7.118 -9.971 1.00 0.00 N ATOM 0 H ASN A 36 6.070 9.936 -11.639 1.00 0.00 H new ATOM 0 HA ASN A 36 8.547 9.917 -12.285 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.570 10.110 -10.141 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.587 8.832 -9.455 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.099 6.428 -10.228 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.876 7.018 -9.097 1.00 0.00 H new ATOM 640 N ASN A 37 6.971 7.216 -11.163 1.00 0.00 N ATOM 641 CA ASN A 37 6.470 5.890 -11.511 1.00 0.00 C ATOM 642 C ASN A 37 6.181 5.081 -10.248 1.00 0.00 C ATOM 643 O ASN A 37 5.517 4.047 -10.304 1.00 0.00 O ATOM 644 CB ASN A 37 7.466 5.128 -12.402 1.00 0.00 C ATOM 645 CG ASN A 37 8.902 5.362 -11.942 1.00 0.00 C ATOM 646 OD1 ASN A 37 9.568 6.280 -12.418 1.00 0.00 O ATOM 647 ND2 ASN A 37 9.427 4.566 -11.054 1.00 0.00 N ATOM 0 H ASN A 37 6.755 7.505 -10.209 1.00 0.00 H new ATOM 0 HA ASN A 37 5.545 6.024 -12.072 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.241 4.062 -12.375 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.355 5.451 -13.437 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.392 4.704 -10.753 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.873 3.805 -10.660 1.00 0.00 H new ATOM 654 N VAL A 38 6.681 5.560 -9.111 1.00 0.00 N ATOM 655 CA VAL A 38 6.471 4.870 -7.837 1.00 0.00 C ATOM 656 C VAL A 38 5.713 5.771 -6.866 1.00 0.00 C ATOM 657 O VAL A 38 5.387 6.913 -7.191 1.00 0.00 O ATOM 658 CB VAL A 38 7.823 4.474 -7.224 1.00 0.00 C ATOM 659 CG1 VAL A 38 7.675 3.192 -6.398 1.00 0.00 C ATOM 660 CG2 VAL A 38 8.836 4.233 -8.343 1.00 0.00 C ATOM 0 H VAL A 38 7.231 6.417 -9.044 1.00 0.00 H new ATOM 0 HA VAL A 38 5.882 3.971 -8.021 1.00 0.00 H new ATOM 0 HB VAL A 38 8.167 5.280 -6.576 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.640 2.922 -5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.955 3.357 -5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.325 2.384 -7.040 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.796 3.952 -7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.480 3.430 -8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.955 5.145 -8.929 1.00 0.00 H new ATOM 670 N LEU A 39 5.443 5.249 -5.676 1.00 0.00 N ATOM 671 CA LEU A 39 4.727 6.008 -4.655 1.00 0.00 C ATOM 672 C LEU A 39 5.542 6.046 -3.366 1.00 0.00 C ATOM 673 O LEU A 39 5.899 5.002 -2.814 1.00 0.00 O ATOM 674 CB LEU A 39 3.358 5.360 -4.388 1.00 0.00 C ATOM 675 CG LEU A 39 2.296 5.947 -5.335 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.338 5.235 -6.691 1.00 0.00 C ATOM 677 CD2 LEU A 39 0.907 5.764 -4.722 1.00 0.00 C ATOM 0 H LEU A 39 5.708 4.305 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 39 4.577 7.028 -5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.425 4.281 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.064 5.528 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 39 2.506 7.007 -5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.581 5.661 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.323 5.364 -7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.140 4.172 -6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.155 6.180 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.712 4.702 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.862 6.280 -3.763 1.00 0.00 H new ATOM 689 N LEU A 40 5.838 7.257 -2.893 1.00 0.00 N ATOM 690 CA LEU A 40 6.621 7.422 -1.669 1.00 0.00 C ATOM 691 C LEU A 40 5.780 8.143 -0.618 1.00 0.00 C ATOM 692 O LEU A 40 4.990 9.030 -0.945 1.00 0.00 O ATOM 693 CB LEU A 40 7.895 8.227 -1.982 1.00 0.00 C ATOM 694 CG LEU A 40 9.009 7.927 -0.958 1.00 0.00 C ATOM 695 CD1 LEU A 40 10.371 7.970 -1.659 1.00 0.00 C ATOM 696 CD2 LEU A 40 8.996 8.979 0.158 1.00 0.00 C ATOM 0 H LEU A 40 5.550 8.130 -3.334 1.00 0.00 H new ATOM 0 HA LEU A 40 6.907 6.445 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.245 7.984 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.666 9.293 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 40 8.837 6.939 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.159 7.758 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.396 7.223 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.528 8.960 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.786 8.758 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.162 9.967 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.031 8.961 0.664 1.00 0.00 H new ATOM 708 N ILE A 41 5.943 7.747 0.642 1.00 0.00 N ATOM 709 CA ILE A 41 5.178 8.358 1.729 1.00 0.00 C ATOM 710 C ILE A 41 5.994 8.402 3.021 1.00 0.00 C ATOM 711 O ILE A 41 6.752 7.481 3.322 1.00 0.00 O ATOM 712 CB ILE A 41 3.890 7.558 1.961 1.00 0.00 C ATOM 713 CG1 ILE A 41 3.076 7.521 0.662 1.00 0.00 C ATOM 714 CG2 ILE A 41 3.064 8.222 3.067 1.00 0.00 C ATOM 715 CD1 ILE A 41 1.706 6.891 0.928 1.00 0.00 C ATOM 0 H ILE A 41 6.590 7.015 0.935 1.00 0.00 H new ATOM 0 HA ILE A 41 4.934 9.381 1.444 1.00 0.00 H new ATOM 0 HB ILE A 41 4.142 6.541 2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.953 8.531 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.609 6.948 -0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.149 7.652 3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.645 8.248 3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.809 9.239 2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.131 6.867 0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.839 5.875 1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.172 7.482 1.672 1.00 0.00 H new ATOM 727 N LEU A 42 5.838 9.485 3.776 1.00 0.00 N ATOM 728 CA LEU A 42 6.567 9.651 5.031 1.00 0.00 C ATOM 729 C LEU A 42 6.059 8.680 6.095 1.00 0.00 C ATOM 730 O LEU A 42 4.857 8.440 6.214 1.00 0.00 O ATOM 731 CB LEU A 42 6.402 11.090 5.540 1.00 0.00 C ATOM 732 CG LEU A 42 7.486 11.996 4.939 1.00 0.00 C ATOM 733 CD1 LEU A 42 8.857 11.653 5.540 1.00 0.00 C ATOM 734 CD2 LEU A 42 7.529 11.813 3.417 1.00 0.00 C ATOM 0 H LEU A 42 5.216 10.259 3.543 1.00 0.00 H new ATOM 0 HA LEU A 42 7.620 9.440 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.415 11.466 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.466 11.108 6.628 1.00 0.00 H new ATOM 0 HG LEU A 42 7.247 13.034 5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.617 12.302 5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.828 11.800 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.100 10.613 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.300 12.458 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.757 10.773 3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.561 12.078 2.991 1.00 0.00 H new ATOM 746 N LEU A 43 6.990 8.142 6.877 1.00 0.00 N ATOM 747 CA LEU A 43 6.647 7.211 7.948 1.00 0.00 C ATOM 748 C LEU A 43 7.824 7.072 8.910 1.00 0.00 C ATOM 749 O LEU A 43 8.564 6.090 8.866 1.00 0.00 O ATOM 750 CB LEU A 43 6.290 5.840 7.367 1.00 0.00 C ATOM 751 CG LEU A 43 5.822 4.898 8.489 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.355 5.177 8.832 1.00 0.00 C ATOM 753 CD2 LEU A 43 5.955 3.443 8.031 1.00 0.00 C ATOM 0 H LEU A 43 7.988 8.334 6.790 1.00 0.00 H new ATOM 0 HA LEU A 43 5.784 7.601 8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.504 5.946 6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.156 5.414 6.861 1.00 0.00 H new ATOM 0 HG LEU A 43 6.442 5.068 9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.033 4.505 9.627 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.249 6.210 9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.738 5.015 7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.623 2.779 8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.340 3.283 7.145 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.997 3.230 7.793 1.00 0.00 H new ATOM 765 N GLU A 44 7.990 8.068 9.773 1.00 0.00 N ATOM 766 CA GLU A 44 9.081 8.059 10.740 1.00 0.00 C ATOM 767 C GLU A 44 9.017 6.812 11.619 1.00 0.00 C ATOM 768 O GLU A 44 10.034 6.167 11.871 1.00 0.00 O ATOM 769 CB GLU A 44 9.005 9.308 11.619 1.00 0.00 C ATOM 770 CG GLU A 44 8.797 10.540 10.736 1.00 0.00 C ATOM 771 CD GLU A 44 8.913 11.807 11.575 1.00 0.00 C ATOM 772 OE1 GLU A 44 7.913 12.491 11.718 1.00 0.00 O ATOM 773 OE2 GLU A 44 9.999 12.075 12.062 1.00 0.00 O ATOM 0 H GLU A 44 7.386 8.888 9.823 1.00 0.00 H new ATOM 0 HA GLU A 44 10.024 8.052 10.193 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.185 9.215 12.331 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.921 9.414 12.200 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.538 10.554 9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.817 10.496 10.261 1.00 0.00 H new ATOM 780 N ASN A 45 7.816 6.486 12.090 1.00 0.00 N ATOM 781 CA ASN A 45 7.628 5.319 12.948 1.00 0.00 C ATOM 782 C ASN A 45 8.500 4.157 12.484 1.00 0.00 C ATOM 783 O ASN A 45 8.169 3.464 11.521 1.00 0.00 O ATOM 784 CB ASN A 45 6.159 4.891 12.936 1.00 0.00 C ATOM 785 CG ASN A 45 5.313 5.901 13.704 1.00 0.00 C ATOM 786 OD1 ASN A 45 4.481 6.592 13.115 1.00 0.00 O ATOM 787 ND2 ASN A 45 5.477 6.030 14.992 1.00 0.00 N ATOM 0 H ASN A 45 6.963 7.010 11.894 1.00 0.00 H new ATOM 0 HA ASN A 45 7.921 5.592 13.962 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.803 4.813 11.909 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.056 3.903 13.385 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.916 6.704 15.513 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.167 5.457 15.478 1.00 0.00 H new ATOM 794 N GLU A 46 9.616 3.950 13.176 1.00 0.00 N ATOM 795 CA GLU A 46 10.531 2.881 12.837 1.00 0.00 C ATOM 796 C GLU A 46 9.837 1.521 12.912 1.00 0.00 C ATOM 797 O GLU A 46 10.211 0.586 12.204 1.00 0.00 O ATOM 798 CB GLU A 46 11.716 2.922 13.802 1.00 0.00 C ATOM 799 CG GLU A 46 11.335 2.266 15.132 1.00 0.00 C ATOM 800 CD GLU A 46 12.356 2.632 16.203 1.00 0.00 C ATOM 801 OE1 GLU A 46 12.077 2.390 17.366 1.00 0.00 O ATOM 802 OE2 GLU A 46 13.401 3.150 15.846 1.00 0.00 O ATOM 0 H GLU A 46 9.903 4.514 13.976 1.00 0.00 H new ATOM 0 HA GLU A 46 10.879 3.020 11.813 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.570 2.405 13.364 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.021 3.955 13.971 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.341 2.594 15.438 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.291 1.183 15.014 1.00 0.00 H new ATOM 809 N PHE A 47 8.829 1.419 13.771 1.00 0.00 N ATOM 810 CA PHE A 47 8.095 0.168 13.925 1.00 0.00 C ATOM 811 C PHE A 47 7.176 -0.061 12.728 1.00 0.00 C ATOM 812 O PHE A 47 7.445 -0.913 11.881 1.00 0.00 O ATOM 813 CB PHE A 47 7.268 0.200 15.214 1.00 0.00 C ATOM 814 CG PHE A 47 8.058 0.887 16.303 1.00 0.00 C ATOM 815 CD1 PHE A 47 7.799 2.227 16.616 1.00 0.00 C ATOM 816 CD2 PHE A 47 9.049 0.185 16.999 1.00 0.00 C ATOM 817 CE1 PHE A 47 8.530 2.865 17.626 1.00 0.00 C ATOM 818 CE2 PHE A 47 9.780 0.822 18.008 1.00 0.00 C ATOM 819 CZ PHE A 47 9.521 2.162 18.322 1.00 0.00 C ATOM 0 H PHE A 47 8.503 2.180 14.367 1.00 0.00 H new ATOM 0 HA PHE A 47 8.813 -0.651 13.979 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.329 0.727 15.043 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.013 -0.815 15.520 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.035 2.769 16.078 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.249 -0.848 16.757 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.330 3.898 17.868 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.544 0.280 18.545 1.00 0.00 H new ATOM 0 HZ PHE A 47 10.086 2.653 19.101 1.00 0.00 H new ATOM 829 N ALA A 48 6.094 0.708 12.663 1.00 0.00 N ATOM 830 CA ALA A 48 5.143 0.584 11.562 1.00 0.00 C ATOM 831 C ALA A 48 5.878 0.405 10.241 1.00 0.00 C ATOM 832 O ALA A 48 5.413 -0.302 9.350 1.00 0.00 O ATOM 833 CB ALA A 48 4.264 1.835 11.486 1.00 0.00 C ATOM 0 H ALA A 48 5.854 1.419 13.354 1.00 0.00 H new ATOM 0 HA ALA A 48 4.519 -0.291 11.744 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.558 1.734 10.662 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.716 1.952 12.421 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.891 2.711 11.321 1.00 0.00 H new ATOM 839 N ARG A 49 7.032 1.049 10.129 1.00 0.00 N ATOM 840 CA ARG A 49 7.831 0.956 8.917 1.00 0.00 C ATOM 841 C ARG A 49 8.511 -0.404 8.835 1.00 0.00 C ATOM 842 O ARG A 49 8.655 -0.975 7.754 1.00 0.00 O ATOM 843 CB ARG A 49 8.886 2.064 8.908 1.00 0.00 C ATOM 844 CG ARG A 49 9.454 2.232 7.495 1.00 0.00 C ATOM 845 CD ARG A 49 10.159 3.589 7.376 1.00 0.00 C ATOM 846 NE ARG A 49 11.432 3.430 6.681 1.00 0.00 N ATOM 847 CZ ARG A 49 12.536 3.082 7.336 1.00 0.00 C ATOM 848 NH1 ARG A 49 12.496 2.889 8.626 1.00 0.00 N ATOM 849 NH2 ARG A 49 13.659 2.935 6.690 1.00 0.00 N ATOM 0 H ARG A 49 7.433 1.638 10.859 1.00 0.00 H new ATOM 0 HA ARG A 49 7.176 1.073 8.054 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.444 3.002 9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.688 1.820 9.605 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.156 1.427 7.277 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.652 2.163 6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.525 4.291 6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.327 4.009 8.368 1.00 0.00 H new ATOM 0 HE ARG A 49 11.476 3.589 5.674 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.618 3.005 9.132 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.343 2.622 9.128 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.691 3.087 5.682 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.505 2.668 7.193 1.00 0.00 H new ATOM 863 N ASN A 50 8.927 -0.916 9.986 1.00 0.00 N ATOM 864 CA ASN A 50 9.594 -2.208 10.036 1.00 0.00 C ATOM 865 C ASN A 50 8.733 -3.278 9.370 1.00 0.00 C ATOM 866 O ASN A 50 9.151 -3.938 8.421 1.00 0.00 O ATOM 867 CB ASN A 50 9.837 -2.600 11.496 1.00 0.00 C ATOM 868 CG ASN A 50 10.719 -3.841 11.562 1.00 0.00 C ATOM 869 OD1 ASN A 50 11.882 -3.799 11.163 1.00 0.00 O ATOM 870 ND2 ASN A 50 10.233 -4.951 12.047 1.00 0.00 N ATOM 0 H ASN A 50 8.815 -0.459 10.891 1.00 0.00 H new ATOM 0 HA ASN A 50 10.543 -2.132 9.505 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.313 -1.776 12.028 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.886 -2.793 11.993 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.818 -5.785 12.096 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.269 -4.984 12.377 1.00 0.00 H new ATOM 877 N SER A 51 7.524 -3.434 9.907 1.00 0.00 N ATOM 878 CA SER A 51 6.561 -4.420 9.417 1.00 0.00 C ATOM 879 C SER A 51 6.009 -4.057 8.037 1.00 0.00 C ATOM 880 O SER A 51 5.947 -4.903 7.145 1.00 0.00 O ATOM 881 CB SER A 51 5.401 -4.521 10.413 1.00 0.00 C ATOM 882 OG SER A 51 5.423 -5.803 11.028 1.00 0.00 O ATOM 0 H SER A 51 7.184 -2.881 10.694 1.00 0.00 H new ATOM 0 HA SER A 51 7.080 -5.374 9.323 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.486 -3.740 11.169 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.451 -4.366 9.901 1.00 0.00 H new ATOM 0 HG SER A 51 4.684 -5.872 11.667 1.00 0.00 H new ATOM 888 N LEU A 52 5.591 -2.806 7.867 1.00 0.00 N ATOM 889 CA LEU A 52 5.030 -2.379 6.589 1.00 0.00 C ATOM 890 C LEU A 52 5.932 -2.805 5.435 1.00 0.00 C ATOM 891 O LEU A 52 5.474 -3.433 4.482 1.00 0.00 O ATOM 892 CB LEU A 52 4.837 -0.855 6.570 1.00 0.00 C ATOM 893 CG LEU A 52 3.521 -0.488 7.277 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.459 1.028 7.495 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.320 -0.926 6.422 1.00 0.00 C ATOM 0 H LEU A 52 5.628 -2.081 8.584 1.00 0.00 H new ATOM 0 HA LEU A 52 4.059 -2.859 6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.676 -0.367 7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.821 -0.494 5.542 1.00 0.00 H new ATOM 0 HG LEU A 52 3.483 -1.001 8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.526 1.286 7.996 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.301 1.342 8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.506 1.536 6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.394 -0.661 6.932 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.358 -0.423 5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.355 -2.005 6.271 1.00 0.00 H new ATOM 907 N ASN A 53 7.212 -2.462 5.523 1.00 0.00 N ATOM 908 CA ASN A 53 8.153 -2.821 4.465 1.00 0.00 C ATOM 909 C ASN A 53 8.526 -4.300 4.544 1.00 0.00 C ATOM 910 O ASN A 53 9.127 -4.844 3.617 1.00 0.00 O ATOM 911 CB ASN A 53 9.415 -1.963 4.560 1.00 0.00 C ATOM 912 CG ASN A 53 10.339 -2.268 3.386 1.00 0.00 C ATOM 913 OD1 ASN A 53 9.897 -2.294 2.237 1.00 0.00 O ATOM 914 ND2 ASN A 53 11.603 -2.503 3.606 1.00 0.00 N ATOM 0 H ASN A 53 7.619 -1.944 6.302 1.00 0.00 H new ATOM 0 HA ASN A 53 7.667 -2.637 3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.148 -0.906 4.559 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.930 -2.161 5.500 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.227 -2.709 2.826 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.968 -2.481 4.558 1.00 0.00 H new ATOM 921 N ASP A 54 8.164 -4.952 5.645 1.00 0.00 N ATOM 922 CA ASP A 54 8.467 -6.372 5.807 1.00 0.00 C ATOM 923 C ASP A 54 7.537 -7.208 4.936 1.00 0.00 C ATOM 924 O ASP A 54 7.875 -8.323 4.538 1.00 0.00 O ATOM 925 CB ASP A 54 8.302 -6.790 7.269 1.00 0.00 C ATOM 926 CG ASP A 54 8.857 -8.195 7.475 1.00 0.00 C ATOM 927 OD1 ASP A 54 10.015 -8.406 7.151 1.00 0.00 O ATOM 928 OD2 ASP A 54 8.118 -9.039 7.955 1.00 0.00 O ATOM 0 H ASP A 54 7.667 -4.528 6.429 1.00 0.00 H new ATOM 0 HA ASP A 54 9.500 -6.540 5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.822 -6.086 7.918 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.249 -6.762 7.547 1.00 0.00 H new ATOM 933 N ASN A 55 6.364 -6.657 4.647 1.00 0.00 N ATOM 934 CA ASN A 55 5.383 -7.350 3.823 1.00 0.00 C ATOM 935 C ASN A 55 4.287 -6.387 3.376 1.00 0.00 C ATOM 936 O ASN A 55 3.111 -6.584 3.681 1.00 0.00 O ATOM 937 CB ASN A 55 4.759 -8.503 4.614 1.00 0.00 C ATOM 938 CG ASN A 55 3.836 -9.315 3.711 1.00 0.00 C ATOM 939 OD1 ASN A 55 4.070 -9.410 2.507 1.00 0.00 O ATOM 940 ND2 ASN A 55 2.795 -9.910 4.225 1.00 0.00 N ATOM 0 H ASN A 55 6.070 -5.735 4.970 1.00 0.00 H new ATOM 0 HA ASN A 55 5.888 -7.745 2.942 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.543 -9.144 5.018 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.199 -8.111 5.463 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.173 -10.455 3.628 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.603 -9.830 5.224 1.00 0.00 H new ATOM 947 N SER A 56 4.680 -5.344 2.650 1.00 0.00 N ATOM 948 CA SER A 56 3.721 -4.360 2.167 1.00 0.00 C ATOM 949 C SER A 56 2.960 -4.907 0.966 1.00 0.00 C ATOM 950 O SER A 56 1.979 -5.632 1.122 1.00 0.00 O ATOM 951 CB SER A 56 4.442 -3.069 1.771 1.00 0.00 C ATOM 952 OG SER A 56 3.679 -2.388 0.783 1.00 0.00 O ATOM 0 H SER A 56 5.648 -5.161 2.386 1.00 0.00 H new ATOM 0 HA SER A 56 3.015 -4.145 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.578 -2.432 2.645 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.436 -3.297 1.386 1.00 0.00 H new ATOM 0 HG SER A 56 4.138 -1.560 0.529 1.00 0.00 H new ATOM 958 N GLU A 57 3.415 -4.540 -0.228 1.00 0.00 N ATOM 959 CA GLU A 57 2.767 -4.983 -1.459 1.00 0.00 C ATOM 960 C GLU A 57 1.498 -4.180 -1.696 1.00 0.00 C ATOM 961 O GLU A 57 0.599 -4.624 -2.404 1.00 0.00 O ATOM 962 CB GLU A 57 2.420 -6.474 -1.378 1.00 0.00 C ATOM 963 CG GLU A 57 3.587 -7.246 -0.742 1.00 0.00 C ATOM 964 CD GLU A 57 3.756 -8.601 -1.424 1.00 0.00 C ATOM 965 OE1 GLU A 57 3.476 -9.603 -0.786 1.00 0.00 O ATOM 966 OE2 GLU A 57 4.163 -8.617 -2.574 1.00 0.00 O ATOM 0 H GLU A 57 4.227 -3.939 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 57 3.458 -4.825 -2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.514 -6.615 -0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.214 -6.864 -2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.507 -6.668 -0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.402 -7.387 0.323 1.00 0.00 H new ATOM 973 N ILE A 58 1.439 -2.997 -1.094 1.00 0.00 N ATOM 974 CA ILE A 58 0.273 -2.127 -1.231 1.00 0.00 C ATOM 975 C ILE A 58 -0.161 -2.008 -2.695 1.00 0.00 C ATOM 976 O ILE A 58 -1.149 -1.343 -3.007 1.00 0.00 O ATOM 977 CB ILE A 58 0.588 -0.742 -0.656 1.00 0.00 C ATOM 978 CG1 ILE A 58 0.899 -0.868 0.847 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.605 0.198 -0.871 1.00 0.00 C ATOM 980 CD1 ILE A 58 -0.395 -0.824 1.669 1.00 0.00 C ATOM 0 H ILE A 58 2.182 -2.618 -0.507 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.552 -2.570 -0.673 1.00 0.00 H new ATOM 0 HB ILE A 58 1.456 -0.328 -1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.427 -1.803 1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.561 -0.059 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.373 1.180 -0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.808 0.290 -1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.483 -0.208 -0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.156 -0.914 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.907 0.122 1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.043 -1.648 1.372 1.00 0.00 H new ATOM 992 N ILE A 59 0.572 -2.668 -3.585 1.00 0.00 N ATOM 993 CA ILE A 59 0.248 -2.643 -5.006 1.00 0.00 C ATOM 994 C ILE A 59 -0.780 -3.731 -5.337 1.00 0.00 C ATOM 995 O ILE A 59 -1.533 -3.611 -6.301 1.00 0.00 O ATOM 996 CB ILE A 59 1.524 -2.854 -5.824 1.00 0.00 C ATOM 997 CG1 ILE A 59 1.165 -3.126 -7.286 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.300 -4.047 -5.261 1.00 0.00 C ATOM 999 CD1 ILE A 59 2.409 -2.948 -8.158 1.00 0.00 C ATOM 0 H ILE A 59 1.393 -3.226 -3.348 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.184 -1.674 -5.257 1.00 0.00 H new ATOM 0 HB ILE A 59 2.139 -1.956 -5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.774 -4.138 -7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.379 -2.445 -7.611 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.209 -4.197 -5.844 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.563 -3.852 -4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.681 -4.943 -5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.154 -3.142 -9.200 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.780 -1.928 -8.059 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.181 -3.647 -7.838 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.811 -4.785 -4.521 1.00 0.00 N ATOM 1012 CA HIS A 60 -1.759 -5.883 -4.724 1.00 0.00 C ATOM 1013 C HIS A 60 -3.198 -5.385 -4.733 1.00 0.00 C ATOM 1014 O HIS A 60 -4.103 -6.117 -5.135 1.00 0.00 O ATOM 1015 CB HIS A 60 -1.571 -6.971 -3.662 1.00 0.00 C ATOM 1016 CG HIS A 60 -1.865 -6.465 -2.278 1.00 0.00 C ATOM 1017 ND1 HIS A 60 -1.051 -5.546 -1.645 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -2.842 -6.789 -1.370 1.00 0.00 C ATOM 1019 CE1 HIS A 60 -1.540 -5.351 -0.410 1.00 0.00 C ATOM 1020 NE2 HIS A 60 -2.633 -6.083 -0.189 1.00 0.00 N ATOM 0 H HIS A 60 -0.194 -4.902 -3.717 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.552 -6.317 -5.702 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.225 -7.813 -3.886 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.547 -7.343 -3.702 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -0.227 -5.097 -2.044 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.649 -7.485 -1.545 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.102 -4.683 0.316 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.412 -4.140 -4.337 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.758 -3.559 -4.356 1.00 0.00 C ATOM 1031 C LEU A 61 -4.741 -2.279 -5.186 1.00 0.00 C ATOM 1032 O LEU A 61 -5.579 -2.082 -6.066 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.253 -3.245 -2.935 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.339 -3.909 -1.904 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -3.023 -3.126 -1.775 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -5.050 -3.940 -0.548 1.00 0.00 C ATOM 0 H LEU A 61 -2.682 -3.512 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.440 -4.286 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.270 -2.167 -2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.275 -3.602 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.113 -4.925 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.382 -3.610 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.515 -3.106 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.236 -2.106 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.403 -4.412 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.278 -2.922 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.976 -4.508 -0.636 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.778 -1.410 -4.891 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.648 -0.144 -5.601 1.00 0.00 C ATOM 1050 C ALA A 62 -3.333 -0.372 -7.078 1.00 0.00 C ATOM 1051 O ALA A 62 -2.983 0.566 -7.795 1.00 0.00 O ATOM 1052 CB ALA A 62 -2.524 0.681 -4.974 1.00 0.00 C ATOM 0 H ALA A 62 -3.077 -1.561 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.596 0.388 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.427 1.628 -5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.756 0.875 -3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.586 0.129 -5.042 1.00 0.00 H new ATOM 1058 N GLU A 63 -3.451 -1.617 -7.532 1.00 0.00 N ATOM 1059 CA GLU A 63 -3.163 -1.931 -8.929 1.00 0.00 C ATOM 1060 C GLU A 63 -4.420 -1.801 -9.783 1.00 0.00 C ATOM 1061 O GLU A 63 -4.551 -2.465 -10.811 1.00 0.00 O ATOM 1062 CB GLU A 63 -2.602 -3.350 -9.053 1.00 0.00 C ATOM 1063 CG GLU A 63 -3.541 -4.335 -8.353 1.00 0.00 C ATOM 1064 CD GLU A 63 -3.019 -5.759 -8.516 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -3.694 -6.547 -9.157 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -1.951 -6.039 -7.997 1.00 0.00 O ATOM 0 H GLU A 63 -3.739 -2.414 -6.964 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.419 -1.219 -9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.494 -3.619 -10.104 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.608 -3.400 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.619 -4.086 -7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.543 -4.256 -8.774 1.00 0.00 H new ATOM 1073 N SER A 64 -5.340 -0.944 -9.350 1.00 0.00 N ATOM 1074 CA SER A 64 -6.587 -0.737 -10.084 1.00 0.00 C ATOM 1075 C SER A 64 -6.726 0.724 -10.507 1.00 0.00 C ATOM 1076 O SER A 64 -6.742 1.033 -11.698 1.00 0.00 O ATOM 1077 CB SER A 64 -7.777 -1.134 -9.212 1.00 0.00 C ATOM 1078 OG SER A 64 -8.985 -0.816 -9.891 1.00 0.00 O ATOM 0 H SER A 64 -5.248 -0.385 -8.502 1.00 0.00 H new ATOM 0 HA SER A 64 -6.568 -1.360 -10.978 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.741 -2.201 -8.991 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.734 -0.609 -8.258 1.00 0.00 H new ATOM 0 HG SER A 64 -9.750 -1.071 -9.334 1.00 0.00 H new ATOM 1084 N LEU A 65 -6.828 1.617 -9.528 1.00 0.00 N ATOM 1085 CA LEU A 65 -6.967 3.040 -9.821 1.00 0.00 C ATOM 1086 C LEU A 65 -5.996 3.452 -10.924 1.00 0.00 C ATOM 1087 O LEU A 65 -6.263 4.383 -11.684 1.00 0.00 O ATOM 1088 CB LEU A 65 -6.695 3.869 -8.555 1.00 0.00 C ATOM 1089 CG LEU A 65 -8.013 4.389 -7.966 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -8.724 5.292 -8.988 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -8.915 3.201 -7.599 1.00 0.00 C ATOM 0 H LEU A 65 -6.817 1.385 -8.535 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.986 3.226 -10.159 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.175 3.258 -7.817 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.040 4.707 -8.794 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.802 4.971 -7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.659 5.657 -8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.082 6.138 -9.234 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.935 4.722 -9.892 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.851 3.571 -7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.124 2.613 -8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.411 2.575 -6.863 1.00 0.00 H new ATOM 1103 N TYR A 66 -4.866 2.755 -10.999 1.00 0.00 N ATOM 1104 CA TYR A 66 -3.853 3.056 -12.007 1.00 0.00 C ATOM 1105 C TYR A 66 -3.645 1.857 -12.924 1.00 0.00 C ATOM 1106 O TYR A 66 -3.888 0.716 -12.534 1.00 0.00 O ATOM 1107 CB TYR A 66 -2.527 3.401 -11.325 1.00 0.00 C ATOM 1108 CG TYR A 66 -2.753 4.423 -10.234 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -2.307 5.739 -10.407 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -3.398 4.054 -9.045 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -2.507 6.686 -9.395 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -3.597 5.003 -8.033 1.00 0.00 C ATOM 1113 CZ TYR A 66 -3.151 6.318 -8.209 1.00 0.00 C ATOM 1114 OH TYR A 66 -3.346 7.252 -7.212 1.00 0.00 O ATOM 0 H TYR A 66 -4.629 1.982 -10.378 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.195 3.906 -12.598 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.081 2.500 -10.903 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.822 3.792 -12.059 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.808 6.024 -11.322 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.741 3.039 -8.909 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.164 7.701 -9.530 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.095 4.720 -7.117 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.194 7.071 -6.755 1.00 0.00 H new ATOM 1124 N GLU A 67 -3.193 2.124 -14.144 1.00 0.00 N ATOM 1125 CA GLU A 67 -2.955 1.057 -15.109 1.00 0.00 C ATOM 1126 C GLU A 67 -2.173 -0.082 -14.461 1.00 0.00 C ATOM 1127 O GLU A 67 -2.094 -1.182 -15.007 1.00 0.00 O ATOM 1128 CB GLU A 67 -2.175 1.601 -16.306 1.00 0.00 C ATOM 1129 CG GLU A 67 -2.980 2.716 -16.975 1.00 0.00 C ATOM 1130 CD GLU A 67 -4.218 2.133 -17.647 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -4.087 1.623 -18.748 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -5.281 2.207 -17.052 1.00 0.00 O ATOM 0 H GLU A 67 -2.985 3.062 -14.487 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.918 0.675 -15.449 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.207 1.982 -15.980 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.979 0.801 -17.020 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.274 3.459 -16.233 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.363 3.229 -17.713 1.00 0.00 H new ATOM 1139 N GLY A 68 -1.598 0.192 -13.294 1.00 0.00 N ATOM 1140 CA GLY A 68 -0.823 -0.815 -12.575 1.00 0.00 C ATOM 1141 C GLY A 68 0.377 -0.184 -11.878 1.00 0.00 C ATOM 1142 O GLY A 68 1.460 -0.089 -12.454 1.00 0.00 O ATOM 0 H GLY A 68 -1.653 1.097 -12.828 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.457 -1.310 -11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.483 -1.582 -13.270 1.00 0.00 H new ATOM 1146 N ILE A 69 0.180 0.244 -10.634 1.00 0.00 N ATOM 1147 CA ILE A 69 1.260 0.862 -9.871 1.00 0.00 C ATOM 1148 C ILE A 69 2.547 0.057 -10.025 1.00 0.00 C ATOM 1149 O ILE A 69 2.508 -1.144 -10.288 1.00 0.00 O ATOM 1150 CB ILE A 69 0.886 0.931 -8.387 1.00 0.00 C ATOM 1151 CG1 ILE A 69 -0.386 1.780 -8.207 1.00 0.00 C ATOM 1152 CG2 ILE A 69 2.043 1.546 -7.593 1.00 0.00 C ATOM 1153 CD1 ILE A 69 -0.029 3.269 -8.110 1.00 0.00 C ATOM 0 H ILE A 69 -0.708 0.175 -10.137 1.00 0.00 H new ATOM 0 HA ILE A 69 1.416 1.870 -10.255 1.00 0.00 H new ATOM 0 HB ILE A 69 0.694 -0.076 -8.017 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.062 1.616 -9.046 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.915 1.467 -7.307 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.775 1.594 -6.538 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.934 0.930 -7.713 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.244 2.552 -7.963 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.940 3.854 -7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.628 3.431 -7.256 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.479 3.582 -9.022 1.00 0.00 H new ATOM 1165 N LYS A 70 3.683 0.724 -9.855 1.00 0.00 N ATOM 1166 CA LYS A 70 4.975 0.055 -9.970 1.00 0.00 C ATOM 1167 C LYS A 70 5.390 -0.521 -8.619 1.00 0.00 C ATOM 1168 O LYS A 70 5.922 -1.628 -8.540 1.00 0.00 O ATOM 1169 CB LYS A 70 6.036 1.052 -10.458 1.00 0.00 C ATOM 1170 CG LYS A 70 7.032 0.345 -11.386 1.00 0.00 C ATOM 1171 CD LYS A 70 7.716 -0.804 -10.638 1.00 0.00 C ATOM 1172 CE LYS A 70 8.961 -1.248 -11.408 1.00 0.00 C ATOM 1173 NZ LYS A 70 8.553 -1.854 -12.707 1.00 0.00 N ATOM 0 H LYS A 70 3.737 1.719 -9.639 1.00 0.00 H new ATOM 0 HA LYS A 70 4.888 -0.759 -10.690 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.557 1.877 -10.986 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.562 1.482 -9.606 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.514 -0.039 -12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.779 1.055 -11.741 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.992 -0.484 -9.633 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.027 -1.641 -10.528 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.617 -0.395 -11.583 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.527 -1.970 -10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.389 -2.247 -13.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.864 -2.613 -12.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.121 -1.125 -13.310 1.00 0.00 H new ATOM 1187 N SER A 71 5.135 0.237 -7.557 1.00 0.00 N ATOM 1188 CA SER A 71 5.481 -0.210 -6.213 1.00 0.00 C ATOM 1189 C SER A 71 5.075 0.834 -5.173 1.00 0.00 C ATOM 1190 O SER A 71 4.514 1.878 -5.510 1.00 0.00 O ATOM 1191 CB SER A 71 6.988 -0.472 -6.123 1.00 0.00 C ATOM 1192 OG SER A 71 7.458 -0.106 -4.832 1.00 0.00 O ATOM 0 H SER A 71 4.694 1.156 -7.600 1.00 0.00 H new ATOM 0 HA SER A 71 4.939 -1.133 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.196 -1.525 -6.312 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.513 0.100 -6.888 1.00 0.00 H new ATOM 0 HG SER A 71 8.422 -0.275 -4.774 1.00 0.00 H new ATOM 1198 N VAL A 72 5.368 0.540 -3.910 1.00 0.00 N ATOM 1199 CA VAL A 72 5.043 1.447 -2.812 1.00 0.00 C ATOM 1200 C VAL A 72 6.085 1.309 -1.704 1.00 0.00 C ATOM 1201 O VAL A 72 6.621 0.225 -1.480 1.00 0.00 O ATOM 1202 CB VAL A 72 3.650 1.125 -2.261 1.00 0.00 C ATOM 1203 CG1 VAL A 72 3.239 2.189 -1.240 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.638 1.106 -3.409 1.00 0.00 C ATOM 0 H VAL A 72 5.831 -0.321 -3.620 1.00 0.00 H new ATOM 0 HA VAL A 72 5.048 2.472 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 72 3.672 0.149 -1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.248 1.956 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.957 2.203 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.219 3.167 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.647 0.877 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.620 2.082 -3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.926 0.346 -4.135 1.00 0.00 H new ATOM 1214 N ASN A 73 6.377 2.413 -1.018 1.00 0.00 N ATOM 1215 CA ASN A 73 7.369 2.381 0.054 1.00 0.00 C ATOM 1216 C ASN A 73 7.290 3.623 0.940 1.00 0.00 C ATOM 1217 O ASN A 73 6.832 4.687 0.515 1.00 0.00 O ATOM 1218 CB ASN A 73 8.773 2.270 -0.543 1.00 0.00 C ATOM 1219 CG ASN A 73 9.759 1.802 0.522 1.00 0.00 C ATOM 1220 OD1 ASN A 73 10.004 2.510 1.498 1.00 0.00 O ATOM 1221 ND2 ASN A 73 10.343 0.641 0.392 1.00 0.00 N ATOM 0 H ASN A 73 5.950 3.325 -1.181 1.00 0.00 H new ATOM 0 HA ASN A 73 7.155 1.511 0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.767 1.569 -1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 73 9.085 3.236 -0.940 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.003 0.320 1.100 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.139 0.055 -0.418 1.00 0.00 H new ATOM 1228 N PHE A 74 7.749 3.463 2.180 1.00 0.00 N ATOM 1229 CA PHE A 74 7.746 4.552 3.149 1.00 0.00 C ATOM 1230 C PHE A 74 9.138 4.731 3.748 1.00 0.00 C ATOM 1231 O PHE A 74 9.906 3.775 3.849 1.00 0.00 O ATOM 1232 CB PHE A 74 6.746 4.254 4.272 1.00 0.00 C ATOM 1233 CG PHE A 74 5.528 3.556 3.708 1.00 0.00 C ATOM 1234 CD1 PHE A 74 5.632 2.250 3.211 1.00 0.00 C ATOM 1235 CD2 PHE A 74 4.294 4.216 3.684 1.00 0.00 C ATOM 1236 CE1 PHE A 74 4.502 1.608 2.689 1.00 0.00 C ATOM 1237 CE2 PHE A 74 3.165 3.574 3.163 1.00 0.00 C ATOM 1238 CZ PHE A 74 3.269 2.271 2.665 1.00 0.00 C ATOM 0 H PHE A 74 8.128 2.586 2.536 1.00 0.00 H new ATOM 0 HA PHE A 74 7.455 5.469 2.637 1.00 0.00 H new ATOM 0 HB2 PHE A 74 7.215 3.628 5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.450 5.181 4.762 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.583 1.739 3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.213 5.222 4.068 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.582 0.602 2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.213 4.085 3.145 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.398 1.776 2.262 1.00 0.00 H new ATOM 1248 N VAL A 75 9.456 5.959 4.145 1.00 0.00 N ATOM 1249 CA VAL A 75 10.760 6.251 4.733 1.00 0.00 C ATOM 1250 C VAL A 75 10.655 7.405 5.726 1.00 0.00 C ATOM 1251 O VAL A 75 9.593 7.637 6.306 1.00 0.00 O ATOM 1252 CB VAL A 75 11.757 6.616 3.634 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.811 5.500 2.588 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.313 7.918 2.964 1.00 0.00 C ATOM 0 H VAL A 75 8.834 6.764 4.071 1.00 0.00 H new ATOM 0 HA VAL A 75 11.106 5.362 5.260 1.00 0.00 H new ATOM 0 HB VAL A 75 12.747 6.744 4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.524 5.767 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.125 4.571 3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.823 5.367 2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.021 8.183 2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.322 7.784 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.279 8.716 3.706 1.00 0.00 H new ATOM 1264 N ASN A 76 11.758 8.130 5.919 1.00 0.00 N ATOM 1265 CA ASN A 76 11.766 9.260 6.849 1.00 0.00 C ATOM 1266 C ASN A 76 12.160 10.554 6.152 1.00 0.00 C ATOM 1267 O ASN A 76 12.517 10.574 4.974 1.00 0.00 O ATOM 1268 CB ASN A 76 12.735 9.002 8.002 1.00 0.00 C ATOM 1269 CG ASN A 76 12.828 10.228 8.904 1.00 0.00 C ATOM 1270 OD1 ASN A 76 13.675 11.096 8.689 1.00 0.00 O ATOM 1271 ND2 ASN A 76 12.001 10.355 9.906 1.00 0.00 N ATOM 0 H ASN A 76 12.647 7.958 5.450 1.00 0.00 H new ATOM 0 HA ASN A 76 10.752 9.363 7.236 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.400 8.141 8.581 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.721 8.757 7.608 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.056 11.174 10.512 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.300 9.636 10.083 1.00 0.00 H new ATOM 1278 N GLU A 77 12.052 11.632 6.908 1.00 0.00 N ATOM 1279 CA GLU A 77 12.351 12.972 6.417 1.00 0.00 C ATOM 1280 C GLU A 77 13.535 12.987 5.462 1.00 0.00 C ATOM 1281 O GLU A 77 13.363 13.103 4.248 1.00 0.00 O ATOM 1282 CB GLU A 77 12.645 13.898 7.599 1.00 0.00 C ATOM 1283 CG GLU A 77 11.524 13.777 8.634 1.00 0.00 C ATOM 1284 CD GLU A 77 11.662 14.875 9.683 1.00 0.00 C ATOM 1285 OE1 GLU A 77 11.088 15.934 9.484 1.00 0.00 O ATOM 1286 OE2 GLU A 77 12.338 14.642 10.671 1.00 0.00 O ATOM 0 H GLU A 77 11.754 11.606 7.883 1.00 0.00 H new ATOM 0 HA GLU A 77 11.476 13.319 5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.602 13.636 8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.727 14.929 7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.554 13.852 8.142 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.564 12.798 9.112 1.00 0.00 H new ATOM 1293 N GLN A 78 14.735 12.903 6.016 1.00 0.00 N ATOM 1294 CA GLN A 78 15.949 12.945 5.204 1.00 0.00 C ATOM 1295 C GLN A 78 15.854 11.995 4.021 1.00 0.00 C ATOM 1296 O GLN A 78 16.111 12.387 2.882 1.00 0.00 O ATOM 1297 CB GLN A 78 17.168 12.591 6.056 1.00 0.00 C ATOM 1298 CG GLN A 78 17.233 13.526 7.266 1.00 0.00 C ATOM 1299 CD GLN A 78 18.498 13.249 8.069 1.00 0.00 C ATOM 1300 OE1 GLN A 78 19.156 12.140 7.870 1.00 0.00 O flip ATOM 1301 NE2 GLN A 78 18.896 14.064 8.902 1.00 0.00 N flip ATOM 0 H GLN A 78 14.898 12.806 7.018 1.00 0.00 H new ATOM 0 HA GLN A 78 16.059 13.959 4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 78 17.105 11.554 6.387 1.00 0.00 H new ATOM 0 HB3 GLN A 78 18.078 12.682 5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.222 14.564 6.935 1.00 0.00 H new ATOM 0 HG3 GLN A 78 16.354 13.383 7.895 1.00 0.00 H new ATOM 0 HE21 GLN A 78 18.380 14.930 9.055 1.00 0.00 H new ATOM 0 HE22 GLN A 78 19.742 13.873 9.439 1.00 0.00 H new ATOM 1310 N ASP A 79 15.486 10.752 4.284 1.00 0.00 N ATOM 1311 CA ASP A 79 15.369 9.776 3.208 1.00 0.00 C ATOM 1312 C ASP A 79 14.523 10.349 2.075 1.00 0.00 C ATOM 1313 O ASP A 79 15.024 10.595 0.976 1.00 0.00 O ATOM 1314 CB ASP A 79 14.738 8.489 3.729 1.00 0.00 C ATOM 1315 CG ASP A 79 14.674 7.454 2.609 1.00 0.00 C ATOM 1316 OD1 ASP A 79 14.155 7.781 1.555 1.00 0.00 O ATOM 1317 OD2 ASP A 79 15.145 6.349 2.824 1.00 0.00 O ATOM 0 H ASP A 79 15.266 10.397 5.215 1.00 0.00 H new ATOM 0 HA ASP A 79 16.366 9.550 2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.321 8.099 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.736 8.692 4.107 1.00 0.00 H new ATOM 1322 N PHE A 80 13.241 10.579 2.348 1.00 0.00 N ATOM 1323 CA PHE A 80 12.352 11.145 1.342 1.00 0.00 C ATOM 1324 C PHE A 80 13.015 12.362 0.703 1.00 0.00 C ATOM 1325 O PHE A 80 12.860 12.615 -0.491 1.00 0.00 O ATOM 1326 CB PHE A 80 11.028 11.565 1.992 1.00 0.00 C ATOM 1327 CG PHE A 80 10.360 12.634 1.154 1.00 0.00 C ATOM 1328 CD1 PHE A 80 9.891 13.807 1.758 1.00 0.00 C ATOM 1329 CD2 PHE A 80 10.214 12.453 -0.226 1.00 0.00 C ATOM 1330 CE1 PHE A 80 9.276 14.797 0.984 1.00 0.00 C ATOM 1331 CE2 PHE A 80 9.599 13.443 -1.002 1.00 0.00 C ATOM 1332 CZ PHE A 80 9.128 14.615 -0.397 1.00 0.00 C ATOM 0 H PHE A 80 12.800 10.384 3.247 1.00 0.00 H new ATOM 0 HA PHE A 80 12.153 10.394 0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.370 10.702 2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 80 11.210 11.941 2.999 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.004 13.948 2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.576 11.549 -0.693 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.915 15.701 1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.488 13.303 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.651 15.378 -0.995 1.00 0.00 H new ATOM 1342 N PHE A 81 13.749 13.113 1.519 1.00 0.00 N ATOM 1343 CA PHE A 81 14.430 14.310 1.042 1.00 0.00 C ATOM 1344 C PHE A 81 15.525 13.946 0.046 1.00 0.00 C ATOM 1345 O PHE A 81 15.909 14.765 -0.790 1.00 0.00 O ATOM 1346 CB PHE A 81 15.038 15.073 2.229 1.00 0.00 C ATOM 1347 CG PHE A 81 14.726 16.548 2.100 1.00 0.00 C ATOM 1348 CD1 PHE A 81 13.871 17.168 3.020 1.00 0.00 C ATOM 1349 CD2 PHE A 81 15.290 17.293 1.057 1.00 0.00 C ATOM 1350 CE1 PHE A 81 13.581 18.532 2.896 1.00 0.00 C ATOM 1351 CE2 PHE A 81 15.000 18.656 0.934 1.00 0.00 C ATOM 1352 CZ PHE A 81 14.145 19.276 1.854 1.00 0.00 C ATOM 0 H PHE A 81 13.887 12.914 2.510 1.00 0.00 H new ATOM 0 HA PHE A 81 13.701 14.945 0.539 1.00 0.00 H new ATOM 0 HB2 PHE A 81 14.637 14.687 3.166 1.00 0.00 H new ATOM 0 HB3 PHE A 81 16.117 14.921 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 81 13.436 16.594 3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 81 15.949 16.815 0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 81 12.922 19.010 3.605 1.00 0.00 H new ATOM 0 HE2 PHE A 81 15.435 19.230 0.130 1.00 0.00 H new ATOM 0 HZ PHE A 81 13.921 20.328 1.759 1.00 0.00 H new ATOM 1362 N PHE A 82 16.028 12.718 0.132 1.00 0.00 N ATOM 1363 CA PHE A 82 17.076 12.271 -0.775 1.00 0.00 C ATOM 1364 C PHE A 82 16.473 11.867 -2.115 1.00 0.00 C ATOM 1365 O PHE A 82 17.128 11.951 -3.154 1.00 0.00 O ATOM 1366 CB PHE A 82 17.816 11.077 -0.165 1.00 0.00 C ATOM 1367 CG PHE A 82 18.911 10.629 -1.105 1.00 0.00 C ATOM 1368 CD1 PHE A 82 20.079 11.390 -1.236 1.00 0.00 C ATOM 1369 CD2 PHE A 82 18.758 9.449 -1.844 1.00 0.00 C ATOM 1370 CE1 PHE A 82 21.092 10.973 -2.108 1.00 0.00 C ATOM 1371 CE2 PHE A 82 19.772 9.032 -2.715 1.00 0.00 C ATOM 1372 CZ PHE A 82 20.939 9.793 -2.848 1.00 0.00 C ATOM 0 H PHE A 82 15.729 12.021 0.815 1.00 0.00 H new ATOM 0 HA PHE A 82 17.778 13.090 -0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 82 18.241 11.353 0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 82 17.120 10.258 0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 82 20.199 12.299 -0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 82 17.858 8.861 -1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 82 21.992 11.561 -2.210 1.00 0.00 H new ATOM 0 HE2 PHE A 82 19.653 8.122 -3.285 1.00 0.00 H new ATOM 0 HZ PHE A 82 21.721 9.471 -3.520 1.00 0.00 H new ATOM 1382 N ASN A 83 15.219 11.428 -2.080 1.00 0.00 N ATOM 1383 CA ASN A 83 14.528 11.012 -3.297 1.00 0.00 C ATOM 1384 C ASN A 83 13.942 12.225 -4.023 1.00 0.00 C ATOM 1385 O ASN A 83 12.991 12.099 -4.795 1.00 0.00 O ATOM 1386 CB ASN A 83 13.411 10.014 -2.942 1.00 0.00 C ATOM 1387 CG ASN A 83 13.718 8.641 -3.537 1.00 0.00 C ATOM 1388 OD1 ASN A 83 13.143 8.263 -4.557 1.00 0.00 O ATOM 1389 ND2 ASN A 83 14.596 7.871 -2.955 1.00 0.00 N ATOM 0 H ASN A 83 14.663 11.351 -1.228 1.00 0.00 H new ATOM 0 HA ASN A 83 15.244 10.528 -3.962 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.315 9.935 -1.859 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.456 10.377 -3.321 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.807 6.953 -3.346 1.00 0.00 H new ATOM 0 HD22 ASN A 83 15.071 8.187 -2.110 1.00 0.00 H new ATOM 1396 N LEU A 84 14.535 13.394 -3.788 1.00 0.00 N ATOM 1397 CA LEU A 84 14.085 14.617 -4.444 1.00 0.00 C ATOM 1398 C LEU A 84 14.897 14.842 -5.712 1.00 0.00 C ATOM 1399 O LEU A 84 14.394 14.686 -6.825 1.00 0.00 O ATOM 1400 CB LEU A 84 14.242 15.821 -3.498 1.00 0.00 C ATOM 1401 CG LEU A 84 12.891 16.212 -2.873 1.00 0.00 C ATOM 1402 CD1 LEU A 84 12.051 16.985 -3.899 1.00 0.00 C ATOM 1403 CD2 LEU A 84 12.128 14.958 -2.413 1.00 0.00 C ATOM 0 H LEU A 84 15.323 13.519 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 84 13.031 14.515 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 84 14.955 15.578 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 84 14.651 16.669 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 84 13.076 16.845 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.095 17.260 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 84 12.584 17.887 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 84 11.876 16.358 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.175 15.253 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 84 11.947 14.308 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 84 12.720 14.424 -1.670 1.00 0.00 H new ATOM 1415 N ALA A 85 16.159 15.213 -5.530 1.00 0.00 N ATOM 1416 CA ALA A 85 17.041 15.465 -6.659 1.00 0.00 C ATOM 1417 C ALA A 85 17.335 14.172 -7.412 1.00 0.00 C ATOM 1418 O ALA A 85 17.487 14.180 -8.633 1.00 0.00 O ATOM 1419 CB ALA A 85 18.352 16.087 -6.173 1.00 0.00 C ATOM 0 H ALA A 85 16.591 15.345 -4.616 1.00 0.00 H new ATOM 0 HA ALA A 85 16.541 16.158 -7.336 1.00 0.00 H new ATOM 0 HB1 ALA A 85 19.005 16.272 -7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 85 18.142 17.029 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.844 15.404 -5.480 1.00 0.00 H new ATOM 1425 N LYS A 86 17.421 13.068 -6.671 1.00 0.00 N ATOM 1426 CA LYS A 86 17.704 11.760 -7.264 1.00 0.00 C ATOM 1427 C LYS A 86 17.274 11.717 -8.729 1.00 0.00 C ATOM 1428 O LYS A 86 17.999 11.208 -9.585 1.00 0.00 O ATOM 1429 CB LYS A 86 16.971 10.667 -6.480 1.00 0.00 C ATOM 1430 CG LYS A 86 17.157 9.310 -7.169 1.00 0.00 C ATOM 1431 CD LYS A 86 18.650 9.028 -7.369 1.00 0.00 C ATOM 1432 CE LYS A 86 18.871 7.524 -7.534 1.00 0.00 C ATOM 1433 NZ LYS A 86 20.289 7.271 -7.919 1.00 0.00 N ATOM 0 H LYS A 86 17.299 13.052 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 86 18.779 11.589 -7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.353 10.621 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 86 15.910 10.907 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.706 8.521 -6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 86 16.645 9.308 -8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.016 9.558 -8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.218 9.398 -6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 86 18.637 7.007 -6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 86 18.200 7.128 -8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 20.441 6.248 -8.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 20.496 7.753 -8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 20.920 7.635 -7.177 1.00 0.00 H new