USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 528 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 35 HIS : no HD1:sc= 0.456 K(o=0.59,f=-3.1!) USER MOD Set 1.2: A 70 GLN : amide:sc= 0.134 K(o=0.59,f=-2.3!) USER MOD Set 2.1: A 37 SER OG : rot -139:sc= 0.504 USER MOD Set 2.2: A 72 GLN : amide:sc= 0.474 K(o=0.98,f=0.24) USER MOD Set 3.1: A 27 THR OG1 : rot 100:sc= 1.03 USER MOD Set 3.2: A 39 LYS NZ :NH3+ -148:sc= 1.19 (180deg=-0.177) USER MOD Set 4.1: A 7 THR OG1 : rot 130:sc= 0.337 USER MOD Set 4.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.64 K(o=-0.64,f=-1.6) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00555 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.718 K(o=0.72,f=-0.037) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0866 USER MOD Single : A 33 ASN : amide:sc= -0.405 K(o=-0.4,f=-3!) USER MOD Single : A 34 ASN : amide:sc= -0.88 K(o=-0.88,f=-3.4!) USER MOD Single : A 42 SER OG : rot 88:sc= 0.941 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0463 USER MOD Single : A 44 GLN : amide:sc= -0.0918 X(o=-0.092,f=-0.19) USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= -0.0157 (180deg=-0.127) USER MOD Single : A 53 GLN : amide:sc= -2! C(o=-2!,f=-5.3!) USER MOD Single : A 54 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.33) USER MOD Single : A 56 MET CE :methyl -174:sc= -1.01 (180deg=-1.04) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0158 X(o=-0.016,f=-0.016) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0242 USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 7 -12.085 -2.584 -10.448 1.00 31.41 N ATOM 83 CA THR A 7 -12.216 -2.886 -11.861 1.00 35.31 C ATOM 84 C THR A 7 -13.207 -4.029 -12.065 1.00 31.42 C ATOM 85 O THR A 7 -13.498 -4.766 -11.120 1.00 72.04 O ATOM 86 CB THR A 7 -10.853 -3.262 -12.460 1.00 54.51 C ATOM 87 OG1 THR A 7 -10.194 -4.200 -11.604 1.00 5.41 O ATOM 88 CG2 THR A 7 -9.977 -2.034 -12.640 1.00 10.33 C ATOM 0 HA THR A 7 -12.588 -1.997 -12.370 1.00 35.31 H new ATOM 0 HB THR A 7 -11.021 -3.710 -13.439 1.00 54.51 H new ATOM 0 HG1 THR A 7 -9.886 -4.965 -12.133 1.00 5.41 H new ATOM 0 HG21 THR A 7 -9.018 -2.330 -13.066 1.00 10.33 H new ATOM 0 HG22 THR A 7 -10.470 -1.330 -13.311 1.00 10.33 H new ATOM 0 HG23 THR A 7 -9.813 -1.559 -11.673 1.00 10.33 H new ATOM 96 N GLN A 8 -13.715 -4.171 -13.293 1.00 3.23 N ATOM 97 CA GLN A 8 -14.744 -5.168 -13.609 1.00 50.02 C ATOM 98 C GLN A 8 -16.019 -4.861 -12.816 1.00 1.14 C ATOM 99 O GLN A 8 -16.851 -5.736 -12.536 1.00 72.35 O ATOM 100 CB GLN A 8 -14.227 -6.586 -13.318 1.00 43.14 C ATOM 101 CG GLN A 8 -15.045 -7.689 -13.969 1.00 33.25 C ATOM 102 CD GLN A 8 -15.185 -7.500 -15.467 1.00 53.30 C ATOM 103 OE1 GLN A 8 -16.128 -6.863 -15.937 1.00 54.41 O ATOM 104 NE2 GLN A 8 -14.243 -8.041 -16.224 1.00 54.35 N ATOM 0 H GLN A 8 -13.428 -3.604 -14.090 1.00 3.23 H new ATOM 0 HA GLN A 8 -14.981 -5.119 -14.672 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -13.195 -6.663 -13.661 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -14.217 -6.744 -12.240 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -14.575 -8.652 -13.770 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -16.036 -7.718 -13.515 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -13.479 -8.561 -15.793 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -14.282 -7.938 -17.238 1.00 54.35 H new ATOM 113 N SER A 9 -16.178 -3.582 -12.503 1.00 52.14 N ATOM 114 CA SER A 9 -17.305 -3.098 -11.727 1.00 2.52 C ATOM 115 C SER A 9 -18.618 -3.289 -12.477 1.00 0.31 C ATOM 116 O SER A 9 -19.682 -3.326 -11.871 1.00 54.11 O ATOM 117 CB SER A 9 -17.095 -1.626 -11.383 1.00 33.54 C ATOM 118 OG SER A 9 -16.765 -0.879 -12.545 1.00 75.12 O ATOM 0 H SER A 9 -15.525 -2.850 -12.783 1.00 52.14 H new ATOM 0 HA SER A 9 -17.365 -3.679 -10.807 1.00 2.52 H new ATOM 0 HB2 SER A 9 -18.000 -1.221 -10.930 1.00 33.54 H new ATOM 0 HB3 SER A 9 -16.298 -1.530 -10.645 1.00 33.54 H new ATOM 0 HG SER A 9 -16.636 0.062 -12.303 1.00 75.12 H new ATOM 124 N GLN A 10 -18.545 -3.396 -13.800 1.00 65.43 N ATOM 125 CA GLN A 10 -19.734 -3.656 -14.600 1.00 50.30 C ATOM 126 C GLN A 10 -20.267 -5.055 -14.319 1.00 24.22 C ATOM 127 O GLN A 10 -21.474 -5.256 -14.199 1.00 13.03 O ATOM 128 CB GLN A 10 -19.437 -3.494 -16.088 1.00 3.51 C ATOM 129 CG GLN A 10 -19.040 -2.079 -16.471 1.00 31.21 C ATOM 130 CD GLN A 10 -18.868 -1.910 -17.965 1.00 30.13 C ATOM 131 OE1 GLN A 10 -19.823 -1.603 -18.676 1.00 43.14 O ATOM 132 NE2 GLN A 10 -17.652 -2.101 -18.448 1.00 21.05 N ATOM 0 H GLN A 10 -17.682 -3.307 -14.336 1.00 65.43 H new ATOM 0 HA GLN A 10 -20.495 -2.927 -14.322 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -18.635 -4.177 -16.368 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -20.318 -3.784 -16.661 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -19.799 -1.383 -16.115 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -18.108 -1.818 -15.969 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -16.888 -2.355 -17.821 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -17.478 -1.994 -19.447 1.00 21.05 H new ATOM 141 N LEU A 11 -19.358 -6.018 -14.205 1.00 1.21 N ATOM 142 CA LEU A 11 -19.735 -7.382 -13.866 1.00 12.41 C ATOM 143 C LEU A 11 -20.213 -7.417 -12.417 1.00 54.11 C ATOM 144 O LEU A 11 -21.193 -8.088 -12.088 1.00 71.13 O ATOM 145 CB LEU A 11 -18.544 -8.329 -14.086 1.00 53.43 C ATOM 146 CG LEU A 11 -18.865 -9.832 -14.183 1.00 4.24 C ATOM 147 CD1 LEU A 11 -19.175 -10.427 -12.818 1.00 55.21 C ATOM 148 CD2 LEU A 11 -20.025 -10.068 -15.143 1.00 61.15 C ATOM 0 H LEU A 11 -18.357 -5.878 -14.343 1.00 1.21 H new ATOM 0 HA LEU A 11 -20.546 -7.718 -14.512 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -18.036 -8.030 -15.003 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -17.838 -8.184 -13.268 1.00 53.43 H new ATOM 0 HG LEU A 11 -17.979 -10.335 -14.570 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -19.397 -11.489 -12.926 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -18.314 -10.301 -12.162 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -20.037 -9.918 -12.387 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -20.239 -11.135 -15.200 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -20.908 -9.540 -14.784 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -19.759 -9.698 -16.133 1.00 61.15 H new ATOM 160 N GLU A 12 -19.518 -6.672 -11.563 1.00 14.13 N ATOM 161 CA GLU A 12 -19.930 -6.505 -10.170 1.00 13.33 C ATOM 162 C GLU A 12 -21.362 -5.956 -10.110 1.00 23.45 C ATOM 163 O GLU A 12 -22.249 -6.556 -9.498 1.00 35.24 O ATOM 164 CB GLU A 12 -18.943 -5.560 -9.463 1.00 72.23 C ATOM 165 CG GLU A 12 -19.024 -5.557 -7.940 1.00 2.41 C ATOM 166 CD GLU A 12 -20.260 -4.867 -7.400 1.00 74.31 C ATOM 167 OE1 GLU A 12 -20.471 -3.680 -7.716 1.00 33.12 O ATOM 168 OE2 GLU A 12 -21.019 -5.509 -6.650 1.00 23.41 O ATOM 0 H GLU A 12 -18.664 -6.172 -11.811 1.00 14.13 H new ATOM 0 HA GLU A 12 -19.919 -7.468 -9.660 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -17.930 -5.834 -9.756 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -19.116 -4.545 -9.822 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -19.007 -6.586 -7.582 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -18.138 -5.065 -7.538 1.00 2.41 H new ATOM 175 N LEU A 13 -21.579 -4.833 -10.785 1.00 24.43 N ATOM 176 CA LEU A 13 -22.885 -4.184 -10.846 1.00 1.43 C ATOM 177 C LEU A 13 -23.949 -5.118 -11.423 1.00 31.21 C ATOM 178 O LEU A 13 -25.108 -5.085 -11.004 1.00 4.34 O ATOM 179 CB LEU A 13 -22.774 -2.892 -11.676 1.00 73.45 C ATOM 180 CG LEU A 13 -24.096 -2.216 -12.061 1.00 63.21 C ATOM 181 CD1 LEU A 13 -23.930 -0.706 -12.083 1.00 44.11 C ATOM 182 CD2 LEU A 13 -24.569 -2.708 -13.425 1.00 50.21 C ATOM 0 H LEU A 13 -20.852 -4.345 -11.308 1.00 24.43 H new ATOM 0 HA LEU A 13 -23.199 -3.933 -9.833 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -22.174 -2.175 -11.115 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -22.227 -3.119 -12.591 1.00 73.45 H new ATOM 0 HG LEU A 13 -24.846 -2.478 -11.315 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -24.876 -0.240 -12.358 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -23.628 -0.359 -11.095 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -23.167 -0.434 -12.812 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -25.508 -2.218 -13.683 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -23.817 -2.471 -14.178 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -24.720 -3.787 -13.390 1.00 50.21 H new ATOM 194 N LEU A 14 -23.553 -5.944 -12.383 1.00 72.01 N ATOM 195 CA LEU A 14 -24.471 -6.896 -12.998 1.00 3.52 C ATOM 196 C LEU A 14 -25.015 -7.855 -11.942 1.00 71.02 C ATOM 197 O LEU A 14 -26.226 -8.063 -11.851 1.00 70.32 O ATOM 198 CB LEU A 14 -23.760 -7.656 -14.128 1.00 33.20 C ATOM 199 CG LEU A 14 -24.647 -8.521 -15.038 1.00 40.12 C ATOM 200 CD1 LEU A 14 -23.947 -8.769 -16.364 1.00 54.01 C ATOM 201 CD2 LEU A 14 -24.981 -9.855 -14.382 1.00 11.21 C ATOM 0 H LEU A 14 -22.603 -5.975 -12.753 1.00 72.01 H new ATOM 0 HA LEU A 14 -25.314 -6.357 -13.431 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -23.238 -6.930 -14.751 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -23.001 -8.298 -13.682 1.00 33.20 H new ATOM 0 HG LEU A 14 -25.578 -7.980 -15.209 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -24.583 -9.383 -17.002 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -23.751 -7.816 -16.856 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -23.004 -9.286 -16.187 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -25.609 -10.442 -15.051 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -24.060 -10.400 -14.177 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -25.513 -9.678 -13.447 1.00 11.21 H new ATOM 213 N ILE A 15 -24.121 -8.416 -11.133 1.00 13.25 N ATOM 214 CA ILE A 15 -24.517 -9.329 -10.066 1.00 24.23 C ATOM 215 C ILE A 15 -25.276 -8.578 -8.973 1.00 61.32 C ATOM 216 O ILE A 15 -26.211 -9.109 -8.376 1.00 75.31 O ATOM 217 CB ILE A 15 -23.289 -10.055 -9.467 1.00 33.14 C ATOM 218 CG1 ILE A 15 -22.650 -10.949 -10.532 1.00 70.34 C ATOM 219 CG2 ILE A 15 -23.675 -10.874 -8.240 1.00 52.02 C ATOM 220 CD1 ILE A 15 -21.425 -11.696 -10.056 1.00 63.52 C ATOM 0 H ILE A 15 -23.116 -8.254 -11.196 1.00 13.25 H new ATOM 0 HA ILE A 15 -25.177 -10.082 -10.497 1.00 24.23 H new ATOM 0 HB ILE A 15 -22.565 -9.305 -9.147 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -23.391 -11.670 -10.878 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -22.377 -10.335 -11.391 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -22.791 -11.372 -7.842 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.093 -10.215 -7.479 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -24.417 -11.621 -8.520 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -21.032 -12.306 -10.869 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -20.665 -10.983 -9.738 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -21.694 -12.338 -9.217 1.00 63.52 H new ATOM 232 N ARG A 16 -24.886 -7.332 -8.742 1.00 32.24 N ATOM 233 CA ARG A 16 -25.538 -6.483 -7.746 1.00 15.30 C ATOM 234 C ARG A 16 -27.004 -6.268 -8.110 1.00 74.23 C ATOM 235 O ARG A 16 -27.878 -6.245 -7.241 1.00 15.23 O ATOM 236 CB ARG A 16 -24.815 -5.134 -7.654 1.00 23.14 C ATOM 237 CG ARG A 16 -25.266 -4.252 -6.499 1.00 71.35 C ATOM 238 CD ARG A 16 -24.810 -4.805 -5.154 1.00 63.11 C ATOM 239 NE ARG A 16 -23.357 -4.979 -5.101 1.00 73.55 N ATOM 240 CZ ARG A 16 -22.647 -5.068 -3.977 1.00 72.42 C ATOM 241 NH1 ARG A 16 -23.227 -4.919 -2.790 1.00 4.32 N ATOM 242 NH2 ARG A 16 -21.345 -5.291 -4.054 1.00 75.13 N ATOM 0 H ARG A 16 -24.115 -6.881 -9.234 1.00 32.24 H new ATOM 0 HA ARG A 16 -25.489 -6.979 -6.777 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -23.745 -5.316 -7.559 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -24.964 -4.592 -8.588 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -24.868 -3.246 -6.633 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -26.353 -4.168 -6.508 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -25.124 -4.130 -4.358 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -25.298 -5.763 -4.971 1.00 63.11 H new ATOM 0 HE ARG A 16 -22.853 -5.036 -5.986 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -24.228 -4.734 -2.731 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -22.671 -4.990 -1.938 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -20.898 -5.392 -4.965 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -20.788 -5.362 -3.202 1.00 75.13 H new ATOM 256 N ASN A 17 -27.268 -6.121 -9.402 1.00 21.01 N ATOM 257 CA ASN A 17 -28.632 -5.947 -9.890 1.00 71.44 C ATOM 258 C ASN A 17 -29.334 -7.288 -10.061 1.00 24.13 C ATOM 259 O ASN A 17 -30.562 -7.368 -10.001 1.00 64.41 O ATOM 260 CB ASN A 17 -28.647 -5.173 -11.211 1.00 22.11 C ATOM 261 CG ASN A 17 -28.462 -3.685 -11.005 1.00 54.33 C ATOM 262 OD1 ASN A 17 -29.433 -2.948 -10.823 1.00 70.12 O ATOM 263 ND2 ASN A 17 -27.221 -3.231 -11.027 1.00 64.22 N ATOM 0 H ASN A 17 -26.556 -6.119 -10.132 1.00 21.01 H new ATOM 0 HA ASN A 17 -29.174 -5.370 -9.141 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -27.856 -5.549 -11.859 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -29.592 -5.352 -11.724 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -27.039 -2.237 -10.890 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -26.445 -3.875 -11.181 1.00 64.22 H new ATOM 270 N ALA A 18 -28.555 -8.336 -10.288 1.00 24.13 N ATOM 271 CA ALA A 18 -29.103 -9.679 -10.410 1.00 52.44 C ATOM 272 C ALA A 18 -29.559 -10.191 -9.052 1.00 63.32 C ATOM 273 O ALA A 18 -30.695 -10.639 -8.895 1.00 53.11 O ATOM 274 CB ALA A 18 -28.078 -10.622 -11.023 1.00 44.34 C ATOM 0 H ALA A 18 -27.542 -8.282 -10.391 1.00 24.13 H new ATOM 0 HA ALA A 18 -29.968 -9.640 -11.072 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -28.506 -11.621 -11.106 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -27.800 -10.263 -12.014 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -27.192 -10.659 -10.389 1.00 44.34 H new ATOM 280 N PHE A 19 -28.674 -10.106 -8.070 1.00 32.44 N ATOM 281 CA PHE A 19 -28.993 -10.516 -6.712 1.00 64.45 C ATOM 282 C PHE A 19 -28.459 -9.494 -5.716 1.00 11.13 C ATOM 283 O PHE A 19 -27.302 -9.565 -5.301 1.00 74.13 O ATOM 284 CB PHE A 19 -28.414 -11.899 -6.397 1.00 5.30 C ATOM 285 CG PHE A 19 -29.033 -13.018 -7.187 1.00 32.32 C ATOM 286 CD1 PHE A 19 -30.249 -13.562 -6.803 1.00 44.11 C ATOM 287 CD2 PHE A 19 -28.402 -13.525 -8.311 1.00 21.44 C ATOM 288 CE1 PHE A 19 -30.822 -14.591 -7.527 1.00 53.12 C ATOM 289 CE2 PHE A 19 -28.970 -14.553 -9.038 1.00 21.41 C ATOM 290 CZ PHE A 19 -30.182 -15.087 -8.645 1.00 4.25 C ATOM 0 H PHE A 19 -27.724 -9.755 -8.190 1.00 32.44 H new ATOM 0 HA PHE A 19 -30.078 -10.573 -6.626 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -27.341 -11.884 -6.588 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -28.546 -12.103 -5.334 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -30.754 -13.178 -5.929 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -27.454 -13.111 -8.623 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -31.770 -15.007 -7.218 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -28.467 -14.939 -9.913 1.00 21.41 H new ATOM 0 HZ PHE A 19 -30.628 -15.891 -9.211 1.00 4.25 H new ATOM 300 N PRO A 20 -29.292 -8.517 -5.331 1.00 74.32 N ATOM 301 CA PRO A 20 -28.908 -7.478 -4.368 1.00 62.04 C ATOM 302 C PRO A 20 -28.688 -8.047 -2.968 1.00 53.13 C ATOM 303 O PRO A 20 -28.047 -7.424 -2.119 1.00 3.14 O ATOM 304 CB PRO A 20 -30.103 -6.514 -4.371 1.00 73.25 C ATOM 305 CG PRO A 20 -30.892 -6.863 -5.588 1.00 43.34 C ATOM 306 CD PRO A 20 -30.664 -8.327 -5.820 1.00 54.10 C ATOM 0 HA PRO A 20 -27.966 -7.002 -4.640 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -30.703 -6.629 -3.468 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -29.770 -5.476 -4.403 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -31.951 -6.651 -5.441 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -30.566 -6.276 -6.447 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -31.379 -8.941 -5.272 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -30.759 -8.591 -6.873 1.00 54.10 H new ATOM 314 N GLU A 21 -29.218 -9.241 -2.741 1.00 43.25 N ATOM 315 CA GLU A 21 -29.098 -9.911 -1.454 1.00 14.45 C ATOM 316 C GLU A 21 -27.952 -10.920 -1.485 1.00 61.52 C ATOM 317 O GLU A 21 -27.916 -11.876 -0.707 1.00 44.12 O ATOM 318 CB GLU A 21 -30.420 -10.598 -1.105 1.00 73.54 C ATOM 319 CG GLU A 21 -30.871 -11.622 -2.136 1.00 25.00 C ATOM 320 CD GLU A 21 -32.305 -12.063 -1.930 1.00 21.25 C ATOM 321 OE1 GLU A 21 -32.603 -12.683 -0.884 1.00 31.02 O ATOM 322 OE2 GLU A 21 -33.142 -11.790 -2.816 1.00 2.14 O ATOM 0 H GLU A 21 -29.740 -9.770 -3.440 1.00 43.25 H new ATOM 0 HA GLU A 21 -28.875 -9.172 -0.684 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -30.319 -11.090 -0.138 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -31.195 -9.840 -0.997 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -30.765 -11.198 -3.134 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -30.217 -12.492 -2.088 1.00 25.00 H new ATOM 329 N ALA A 22 -27.017 -10.701 -2.397 1.00 13.31 N ATOM 330 CA ALA A 22 -25.849 -11.556 -2.515 1.00 45.34 C ATOM 331 C ALA A 22 -24.589 -10.802 -2.114 1.00 74.40 C ATOM 332 O ALA A 22 -24.389 -9.655 -2.519 1.00 53.45 O ATOM 333 CB ALA A 22 -25.716 -12.082 -3.936 1.00 43.43 C ATOM 0 H ALA A 22 -27.046 -9.934 -3.069 1.00 13.31 H new ATOM 0 HA ALA A 22 -25.976 -12.402 -1.839 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -24.836 -12.721 -4.007 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -26.604 -12.658 -4.195 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -25.613 -11.244 -4.626 1.00 43.43 H new ATOM 339 N GLU A 23 -23.755 -11.437 -1.305 1.00 31.23 N ATOM 340 CA GLU A 23 -22.489 -10.850 -0.904 1.00 5.24 C ATOM 341 C GLU A 23 -21.480 -11.004 -2.034 1.00 11.04 C ATOM 342 O GLU A 23 -20.918 -12.081 -2.238 1.00 5.32 O ATOM 343 CB GLU A 23 -21.957 -11.523 0.367 1.00 2.23 C ATOM 344 CG GLU A 23 -22.970 -11.591 1.503 1.00 32.11 C ATOM 345 CD GLU A 23 -23.446 -10.228 1.954 1.00 53.32 C ATOM 346 OE1 GLU A 23 -24.442 -9.725 1.393 1.00 74.04 O ATOM 347 OE2 GLU A 23 -22.833 -9.656 2.878 1.00 2.10 O ATOM 0 H GLU A 23 -23.934 -12.361 -0.913 1.00 31.23 H new ATOM 0 HA GLU A 23 -22.643 -9.792 -0.692 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -21.633 -12.534 0.122 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -21.076 -10.981 0.711 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -23.828 -12.181 1.182 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -22.523 -12.112 2.350 1.00 32.11 H new ATOM 354 N ILE A 24 -21.274 -9.933 -2.777 1.00 13.41 N ATOM 355 CA ILE A 24 -20.368 -9.951 -3.909 1.00 74.24 C ATOM 356 C ILE A 24 -18.949 -9.624 -3.456 1.00 61.32 C ATOM 357 O ILE A 24 -18.656 -8.497 -3.051 1.00 75.31 O ATOM 358 CB ILE A 24 -20.812 -8.931 -4.974 1.00 14.12 C ATOM 359 CG1 ILE A 24 -22.275 -9.171 -5.344 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.930 -9.025 -6.210 1.00 42.15 C ATOM 361 CD1 ILE A 24 -22.849 -8.113 -6.253 1.00 33.11 C ATOM 0 H ILE A 24 -21.726 -9.033 -2.615 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.388 -10.951 -4.343 1.00 74.24 H new ATOM 0 HB ILE A 24 -20.710 -7.928 -4.561 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -22.364 -10.143 -5.830 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -22.869 -9.216 -4.431 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -20.261 -8.296 -6.950 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.895 -8.819 -5.935 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -20.001 -10.028 -6.632 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.890 -8.349 -6.473 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -22.793 -7.142 -5.762 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -22.279 -8.083 -7.182 1.00 33.11 H new ATOM 373 N THR A 25 -18.079 -10.616 -3.510 1.00 14.02 N ATOM 374 CA THR A 25 -16.705 -10.444 -3.090 1.00 54.43 C ATOM 375 C THR A 25 -15.764 -10.463 -4.294 1.00 60.33 C ATOM 376 O THR A 25 -15.585 -11.499 -4.939 1.00 24.53 O ATOM 377 CB THR A 25 -16.302 -11.547 -2.095 1.00 3.22 C ATOM 378 OG1 THR A 25 -17.268 -11.619 -1.035 1.00 13.51 O ATOM 379 CG2 THR A 25 -14.923 -11.276 -1.513 1.00 30.53 C ATOM 0 H THR A 25 -18.304 -11.554 -3.843 1.00 14.02 H new ATOM 0 HA THR A 25 -16.623 -9.475 -2.597 1.00 54.43 H new ATOM 0 HB THR A 25 -16.271 -12.497 -2.629 1.00 3.22 H new ATOM 0 HG1 THR A 25 -17.010 -12.323 -0.404 1.00 13.51 H new ATOM 0 HG21 THR A 25 -14.661 -12.069 -0.813 1.00 30.53 H new ATOM 0 HG22 THR A 25 -14.188 -11.245 -2.318 1.00 30.53 H new ATOM 0 HG23 THR A 25 -14.930 -10.319 -0.991 1.00 30.53 H new ATOM 387 N VAL A 26 -15.166 -9.318 -4.589 1.00 74.44 N ATOM 388 CA VAL A 26 -14.236 -9.207 -5.705 1.00 13.43 C ATOM 389 C VAL A 26 -12.849 -9.674 -5.281 1.00 70.34 C ATOM 390 O VAL A 26 -12.317 -9.233 -4.266 1.00 52.34 O ATOM 391 CB VAL A 26 -14.166 -7.763 -6.257 1.00 24.42 C ATOM 392 CG1 VAL A 26 -15.482 -7.386 -6.917 1.00 41.35 C ATOM 393 CG2 VAL A 26 -13.828 -6.767 -5.157 1.00 35.24 C ATOM 0 H VAL A 26 -15.308 -8.451 -4.071 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.605 -9.848 -6.506 1.00 13.43 H new ATOM 0 HB VAL A 26 -13.371 -7.728 -7.002 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -15.418 -6.368 -7.301 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -15.686 -8.071 -7.740 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -16.287 -7.448 -6.185 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -13.786 -5.762 -5.577 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -14.595 -6.806 -4.383 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -12.861 -7.019 -4.722 1.00 35.24 H new ATOM 403 N THR A 27 -12.284 -10.598 -6.038 1.00 53.51 N ATOM 404 CA THR A 27 -11.014 -11.194 -5.675 1.00 3.34 C ATOM 405 C THR A 27 -10.001 -11.067 -6.807 1.00 43.20 C ATOM 406 O THR A 27 -10.198 -11.609 -7.893 1.00 52.12 O ATOM 407 CB THR A 27 -11.212 -12.677 -5.326 1.00 60.22 C ATOM 408 OG1 THR A 27 -12.378 -12.813 -4.502 1.00 55.14 O ATOM 409 CG2 THR A 27 -9.997 -13.233 -4.599 1.00 63.14 C ATOM 0 H THR A 27 -12.686 -10.951 -6.907 1.00 53.51 H new ATOM 0 HA THR A 27 -10.628 -10.660 -4.807 1.00 3.34 H new ATOM 0 HB THR A 27 -11.340 -13.242 -6.249 1.00 60.22 H new ATOM 0 HG1 THR A 27 -13.134 -13.107 -5.051 1.00 55.14 H new ATOM 0 HG21 THR A 27 -10.163 -14.284 -4.364 1.00 63.14 H new ATOM 0 HG22 THR A 27 -9.117 -13.138 -5.236 1.00 63.14 H new ATOM 0 HG23 THR A 27 -9.838 -12.675 -3.676 1.00 63.14 H new ATOM 417 N SER A 28 -8.928 -10.339 -6.555 1.00 23.54 N ATOM 418 CA SER A 28 -7.873 -10.175 -7.535 1.00 22.03 C ATOM 419 C SER A 28 -6.874 -11.326 -7.461 1.00 14.30 C ATOM 420 O SER A 28 -6.141 -11.472 -6.479 1.00 32.51 O ATOM 421 CB SER A 28 -7.176 -8.833 -7.315 1.00 23.21 C ATOM 422 OG SER A 28 -7.074 -8.535 -5.931 1.00 51.11 O ATOM 0 H SER A 28 -8.765 -9.850 -5.675 1.00 23.54 H new ATOM 0 HA SER A 28 -8.313 -10.187 -8.532 1.00 22.03 H new ATOM 0 HB2 SER A 28 -6.181 -8.858 -7.760 1.00 23.21 H new ATOM 0 HB3 SER A 28 -7.731 -8.043 -7.821 1.00 23.21 H new ATOM 0 HG SER A 28 -6.623 -7.673 -5.814 1.00 51.11 H new ATOM 428 N LEU A 29 -6.860 -12.156 -8.492 1.00 60.25 N ATOM 429 CA LEU A 29 -5.931 -13.270 -8.547 1.00 24.55 C ATOM 430 C LEU A 29 -4.835 -12.983 -9.564 1.00 12.10 C ATOM 431 O LEU A 29 -5.093 -12.864 -10.765 1.00 65.12 O ATOM 432 CB LEU A 29 -6.639 -14.597 -8.874 1.00 52.33 C ATOM 433 CG LEU A 29 -7.459 -14.627 -10.169 1.00 2.03 C ATOM 434 CD1 LEU A 29 -7.487 -16.033 -10.743 1.00 71.35 C ATOM 435 CD2 LEU A 29 -8.880 -14.146 -9.918 1.00 60.32 C ATOM 0 H LEU A 29 -7.480 -12.079 -9.299 1.00 60.25 H new ATOM 0 HA LEU A 29 -5.485 -13.380 -7.558 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -5.886 -15.383 -8.928 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -7.300 -14.846 -8.044 1.00 52.33 H new ATOM 0 HG LEU A 29 -6.985 -13.957 -10.886 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -8.073 -16.039 -11.662 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -6.469 -16.358 -10.959 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -7.939 -16.712 -10.020 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -9.444 -14.175 -10.850 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -9.359 -14.793 -9.183 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -8.857 -13.124 -9.540 1.00 60.32 H new ATOM 447 N VAL A 30 -3.615 -12.850 -9.071 1.00 4.40 N ATOM 448 CA VAL A 30 -2.479 -12.559 -9.924 1.00 1.44 C ATOM 449 C VAL A 30 -1.830 -13.859 -10.385 1.00 64.14 C ATOM 450 O VAL A 30 -1.009 -14.444 -9.675 1.00 15.34 O ATOM 451 CB VAL A 30 -1.435 -11.682 -9.198 1.00 71.32 C ATOM 452 CG1 VAL A 30 -0.345 -11.235 -10.159 1.00 52.04 C ATOM 453 CG2 VAL A 30 -2.103 -10.476 -8.553 1.00 30.41 C ATOM 0 H VAL A 30 -3.387 -12.940 -8.081 1.00 4.40 H new ATOM 0 HA VAL A 30 -2.843 -12.004 -10.788 1.00 1.44 H new ATOM 0 HB VAL A 30 -0.975 -12.282 -8.413 1.00 71.32 H new ATOM 0 HG11 VAL A 30 0.379 -10.619 -9.626 1.00 52.04 H new ATOM 0 HG12 VAL A 30 0.157 -12.110 -10.572 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -0.789 -10.656 -10.969 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -1.351 -9.871 -8.047 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -2.593 -9.878 -9.321 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -2.844 -10.815 -7.829 1.00 30.41 H new ATOM 463 N GLY A 31 -2.241 -14.335 -11.551 1.00 42.32 N ATOM 464 CA GLY A 31 -1.687 -15.561 -12.089 1.00 63.24 C ATOM 465 C GLY A 31 -1.002 -15.333 -13.418 1.00 24.53 C ATOM 466 O GLY A 31 -0.012 -14.609 -13.495 1.00 24.33 O ATOM 0 H GLY A 31 -2.950 -13.893 -12.136 1.00 42.32 H new ATOM 0 HA2 GLY A 31 -0.973 -15.979 -11.379 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -2.482 -16.296 -12.212 1.00 63.24 H new ATOM 470 N ASP A 32 -1.536 -15.941 -14.469 1.00 54.21 N ATOM 471 CA ASP A 32 -1.007 -15.747 -15.816 1.00 24.22 C ATOM 472 C ASP A 32 -1.604 -14.483 -16.422 1.00 21.34 C ATOM 473 O ASP A 32 -1.172 -14.006 -17.470 1.00 50.54 O ATOM 474 CB ASP A 32 -1.331 -16.951 -16.704 1.00 33.31 C ATOM 475 CG ASP A 32 -0.757 -18.250 -16.171 1.00 63.05 C ATOM 476 OD1 ASP A 32 0.458 -18.494 -16.356 1.00 71.24 O ATOM 477 OD2 ASP A 32 -1.516 -19.035 -15.561 1.00 1.50 O ATOM 0 H ASP A 32 -2.335 -16.573 -14.417 1.00 54.21 H new ATOM 0 HA ASP A 32 0.077 -15.646 -15.754 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -2.413 -17.048 -16.795 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -0.942 -16.772 -17.706 1.00 33.31 H new ATOM 482 N ASN A 33 -2.611 -13.960 -15.739 1.00 11.01 N ATOM 483 CA ASN A 33 -3.316 -12.758 -16.154 1.00 33.31 C ATOM 484 C ASN A 33 -3.940 -12.107 -14.930 1.00 73.15 C ATOM 485 O ASN A 33 -4.463 -12.805 -14.058 1.00 35.41 O ATOM 486 CB ASN A 33 -4.396 -13.107 -17.195 1.00 23.21 C ATOM 487 CG ASN A 33 -5.413 -11.997 -17.418 1.00 63.34 C ATOM 488 OD1 ASN A 33 -6.479 -11.980 -16.799 1.00 61.15 O ATOM 489 ND2 ASN A 33 -5.098 -11.068 -18.308 1.00 30.04 N ATOM 0 H ASN A 33 -2.965 -14.363 -14.872 1.00 11.01 H new ATOM 0 HA ASN A 33 -2.617 -12.061 -16.616 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -3.912 -13.340 -18.143 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -4.919 -14.008 -16.874 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -5.747 -10.305 -18.501 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -4.206 -11.115 -18.801 1.00 30.04 H new ATOM 496 N ASN A 34 -3.852 -10.786 -14.840 1.00 61.41 N ATOM 497 CA ASN A 34 -4.457 -10.063 -13.732 1.00 4.13 C ATOM 498 C ASN A 34 -5.968 -10.053 -13.897 1.00 1.44 C ATOM 499 O ASN A 34 -6.529 -9.209 -14.599 1.00 40.12 O ATOM 500 CB ASN A 34 -3.914 -8.631 -13.640 1.00 53.13 C ATOM 501 CG ASN A 34 -2.470 -8.581 -13.176 1.00 60.20 C ATOM 502 OD1 ASN A 34 -2.018 -9.438 -12.418 1.00 22.32 O ATOM 503 ND2 ASN A 34 -1.737 -7.575 -13.625 1.00 24.41 N ATOM 0 H ASN A 34 -3.369 -10.197 -15.518 1.00 61.41 H new ATOM 0 HA ASN A 34 -4.200 -10.571 -12.803 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -3.994 -8.153 -14.616 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -4.533 -8.056 -12.951 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -0.760 -7.490 -13.344 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -2.149 -6.884 -14.253 1.00 24.41 H new ATOM 510 N HIS A 35 -6.617 -11.019 -13.273 1.00 11.54 N ATOM 511 CA HIS A 35 -8.045 -11.204 -13.440 1.00 21.41 C ATOM 512 C HIS A 35 -8.737 -11.135 -12.087 1.00 54.15 C ATOM 513 O HIS A 35 -8.104 -11.316 -11.048 1.00 54.44 O ATOM 514 CB HIS A 35 -8.317 -12.554 -14.116 1.00 25.33 C ATOM 515 CG HIS A 35 -9.634 -12.632 -14.826 1.00 13.33 C ATOM 516 ND1 HIS A 35 -9.843 -12.092 -16.076 1.00 35.21 N ATOM 517 CD2 HIS A 35 -10.809 -13.204 -14.467 1.00 50.13 C ATOM 518 CE1 HIS A 35 -11.085 -12.328 -16.457 1.00 24.43 C ATOM 519 NE2 HIS A 35 -11.694 -13.003 -15.498 1.00 23.03 N ATOM 0 H HIS A 35 -6.175 -11.689 -12.644 1.00 11.54 H new ATOM 0 HA HIS A 35 -8.441 -10.410 -14.073 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -7.519 -12.757 -14.831 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -8.277 -13.340 -13.362 1.00 25.33 H new ATOM 0 HD2 HIS A 35 -11.012 -13.722 -13.541 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -11.528 -12.022 -17.393 1.00 24.43 H new ATOM 0 HE2 HIS A 35 -12.662 -13.322 -15.520 1.00 23.03 H new ATOM 528 N TYR A 36 -10.028 -10.854 -12.099 1.00 43.33 N ATOM 529 CA TYR A 36 -10.797 -10.778 -10.870 1.00 71.31 C ATOM 530 C TYR A 36 -11.862 -11.864 -10.835 1.00 40.50 C ATOM 531 O TYR A 36 -12.592 -12.062 -11.806 1.00 24.43 O ATOM 532 CB TYR A 36 -11.434 -9.390 -10.722 1.00 22.12 C ATOM 533 CG TYR A 36 -10.427 -8.292 -10.445 1.00 15.02 C ATOM 534 CD1 TYR A 36 -9.579 -7.828 -11.442 1.00 43.30 C ATOM 535 CD2 TYR A 36 -10.317 -7.733 -9.179 1.00 41.21 C ATOM 536 CE1 TYR A 36 -8.650 -6.839 -11.188 1.00 62.54 C ATOM 537 CE2 TYR A 36 -9.389 -6.742 -8.916 1.00 62.32 C ATOM 538 CZ TYR A 36 -8.557 -6.298 -9.922 1.00 1.54 C ATOM 539 OH TYR A 36 -7.628 -5.315 -9.661 1.00 12.31 O ATOM 0 H TYR A 36 -10.566 -10.675 -12.947 1.00 43.33 H new ATOM 0 HA TYR A 36 -10.121 -10.938 -10.030 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -11.980 -9.150 -11.634 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -12.163 -9.417 -9.912 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -9.648 -8.249 -12.434 1.00 43.30 H new ATOM 0 HD2 TYR A 36 -10.966 -8.077 -8.387 1.00 41.21 H new ATOM 0 HE1 TYR A 36 -7.999 -6.490 -11.976 1.00 62.54 H new ATOM 0 HE2 TYR A 36 -9.316 -6.317 -7.926 1.00 62.32 H new ATOM 0 HH TYR A 36 -7.695 -5.043 -8.722 1.00 12.31 H new ATOM 549 N SER A 37 -11.913 -12.580 -9.726 1.00 2.23 N ATOM 550 CA SER A 37 -12.913 -13.610 -9.513 1.00 21.11 C ATOM 551 C SER A 37 -13.996 -13.063 -8.598 1.00 62.15 C ATOM 552 O SER A 37 -13.714 -12.259 -7.704 1.00 50.13 O ATOM 553 CB SER A 37 -12.273 -14.861 -8.897 1.00 62.23 C ATOM 554 OG SER A 37 -13.192 -15.941 -8.844 1.00 63.00 O ATOM 0 H SER A 37 -11.263 -12.464 -8.949 1.00 2.23 H new ATOM 0 HA SER A 37 -13.352 -13.894 -10.469 1.00 21.11 H new ATOM 0 HB2 SER A 37 -11.401 -15.152 -9.483 1.00 62.23 H new ATOM 0 HB3 SER A 37 -11.919 -14.633 -7.892 1.00 62.23 H new ATOM 0 HG SER A 37 -13.098 -16.409 -7.988 1.00 63.00 H new ATOM 560 N ILE A 38 -15.226 -13.475 -8.824 1.00 34.53 N ATOM 561 CA ILE A 38 -16.341 -12.966 -8.050 1.00 12.35 C ATOM 562 C ILE A 38 -16.931 -14.063 -7.176 1.00 21.51 C ATOM 563 O ILE A 38 -17.553 -15.002 -7.673 1.00 24.12 O ATOM 564 CB ILE A 38 -17.449 -12.387 -8.958 1.00 73.40 C ATOM 565 CG1 ILE A 38 -16.873 -11.344 -9.927 1.00 24.33 C ATOM 566 CG2 ILE A 38 -18.555 -11.774 -8.112 1.00 23.22 C ATOM 567 CD1 ILE A 38 -16.231 -10.157 -9.242 1.00 24.22 C ATOM 0 H ILE A 38 -15.480 -14.160 -9.536 1.00 34.53 H new ATOM 0 HA ILE A 38 -15.955 -12.164 -7.421 1.00 12.35 H new ATOM 0 HB ILE A 38 -17.869 -13.201 -9.548 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -16.133 -11.826 -10.566 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -17.672 -10.987 -10.577 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -19.330 -11.370 -8.763 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -18.986 -12.540 -7.467 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -18.142 -10.973 -7.498 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -15.849 -9.466 -9.993 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -16.972 -9.648 -8.625 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -15.409 -10.500 -8.613 1.00 24.22 H new ATOM 579 N LYS A 39 -16.718 -13.952 -5.875 1.00 62.41 N ATOM 580 CA LYS A 39 -17.320 -14.879 -4.935 1.00 70.34 C ATOM 581 C LYS A 39 -18.680 -14.357 -4.499 1.00 25.51 C ATOM 582 O LYS A 39 -18.778 -13.286 -3.897 1.00 73.43 O ATOM 583 CB LYS A 39 -16.417 -15.111 -3.717 1.00 35.52 C ATOM 584 CG LYS A 39 -15.169 -15.918 -4.034 1.00 1.32 C ATOM 585 CD LYS A 39 -14.493 -16.428 -2.770 1.00 0.22 C ATOM 586 CE LYS A 39 -13.773 -15.324 -2.013 1.00 64.33 C ATOM 587 NZ LYS A 39 -12.582 -14.828 -2.752 1.00 52.43 N ATOM 0 H LYS A 39 -16.135 -13.232 -5.449 1.00 62.41 H new ATOM 0 HA LYS A 39 -17.446 -15.839 -5.435 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -16.121 -14.146 -3.304 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -16.987 -15.627 -2.944 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -15.433 -16.762 -4.671 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -14.469 -15.300 -4.597 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -15.240 -16.883 -2.120 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -13.780 -17.210 -3.032 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -14.461 -14.497 -1.837 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -13.465 -15.696 -1.036 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -11.853 -14.528 -2.074 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -12.205 -15.588 -3.353 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -12.854 -14.020 -3.347 1.00 52.43 H new ATOM 601 N VAL A 40 -19.721 -15.107 -4.823 1.00 63.22 N ATOM 602 CA VAL A 40 -21.083 -14.707 -4.520 1.00 35.24 C ATOM 603 C VAL A 40 -21.634 -15.539 -3.366 1.00 33.00 C ATOM 604 O VAL A 40 -21.968 -16.716 -3.533 1.00 4.22 O ATOM 605 CB VAL A 40 -22.004 -14.865 -5.752 1.00 25.43 C ATOM 606 CG1 VAL A 40 -23.409 -14.370 -5.445 1.00 2.44 C ATOM 607 CG2 VAL A 40 -21.428 -14.129 -6.953 1.00 42.04 C ATOM 0 H VAL A 40 -19.645 -16.005 -5.301 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.062 -13.655 -4.236 1.00 35.24 H new ATOM 0 HB VAL A 40 -22.063 -15.926 -5.996 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.038 -14.491 -6.327 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -23.826 -14.947 -4.619 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -23.371 -13.316 -5.168 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -22.092 -14.253 -7.809 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -21.333 -13.069 -6.719 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -20.446 -14.537 -7.193 1.00 42.04 H new ATOM 617 N ILE A 41 -21.706 -14.931 -2.194 1.00 54.23 N ATOM 618 CA ILE A 41 -22.228 -15.603 -1.016 1.00 33.03 C ATOM 619 C ILE A 41 -23.650 -15.133 -0.738 1.00 40.43 C ATOM 620 O ILE A 41 -23.869 -13.976 -0.405 1.00 0.12 O ATOM 621 CB ILE A 41 -21.349 -15.329 0.225 1.00 63.32 C ATOM 622 CG1 ILE A 41 -19.877 -15.656 -0.069 1.00 72.31 C ATOM 623 CG2 ILE A 41 -21.850 -16.132 1.418 1.00 50.41 C ATOM 624 CD1 ILE A 41 -19.632 -17.099 -0.461 1.00 73.31 C ATOM 0 H ILE A 41 -21.408 -13.969 -2.033 1.00 54.23 H new ATOM 0 HA ILE A 41 -22.222 -16.675 -1.214 1.00 33.03 H new ATOM 0 HB ILE A 41 -21.419 -14.269 0.469 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -19.525 -15.008 -0.871 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -19.281 -15.424 0.813 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -21.220 -15.928 2.284 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -22.878 -15.848 1.642 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -21.810 -17.196 1.183 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -18.569 -17.249 -0.652 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -19.951 -17.755 0.349 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -20.199 -17.333 -1.362 1.00 73.31 H new ATOM 636 N SER A 42 -24.621 -16.016 -0.897 1.00 20.34 N ATOM 637 CA SER A 42 -26.004 -15.636 -0.673 1.00 24.41 C ATOM 638 C SER A 42 -26.839 -16.831 -0.239 1.00 53.10 C ATOM 639 O SER A 42 -26.589 -17.965 -0.653 1.00 71.22 O ATOM 640 CB SER A 42 -26.595 -15.009 -1.938 1.00 15.34 C ATOM 641 OG SER A 42 -27.913 -14.541 -1.708 1.00 44.11 O ATOM 0 H SER A 42 -24.481 -16.987 -1.176 1.00 20.34 H new ATOM 0 HA SER A 42 -26.024 -14.899 0.130 1.00 24.41 H new ATOM 0 HB2 SER A 42 -25.965 -14.183 -2.267 1.00 15.34 H new ATOM 0 HB3 SER A 42 -26.602 -15.744 -2.743 1.00 15.34 H new ATOM 0 HG SER A 42 -27.880 -13.619 -1.378 1.00 44.11 H new ATOM 647 N SER A 43 -27.838 -16.561 0.591 1.00 30.43 N ATOM 648 CA SER A 43 -28.760 -17.581 1.057 1.00 73.12 C ATOM 649 C SER A 43 -29.572 -18.147 -0.106 1.00 23.01 C ATOM 650 O SER A 43 -30.134 -19.240 -0.012 1.00 1.22 O ATOM 651 CB SER A 43 -29.678 -16.974 2.110 1.00 14.53 C ATOM 652 OG SER A 43 -30.093 -15.676 1.713 1.00 21.44 O ATOM 0 H SER A 43 -28.029 -15.629 0.958 1.00 30.43 H new ATOM 0 HA SER A 43 -28.197 -18.404 1.498 1.00 73.12 H new ATOM 0 HB2 SER A 43 -30.549 -17.613 2.255 1.00 14.53 H new ATOM 0 HB3 SER A 43 -29.159 -16.920 3.067 1.00 14.53 H new ATOM 0 HG SER A 43 -30.684 -15.298 2.397 1.00 21.44 H new ATOM 658 N GLN A 44 -29.603 -17.404 -1.207 1.00 22.21 N ATOM 659 CA GLN A 44 -30.297 -17.840 -2.412 1.00 35.52 C ATOM 660 C GLN A 44 -29.555 -18.994 -3.079 1.00 53.44 C ATOM 661 O GLN A 44 -30.109 -19.693 -3.925 1.00 5.22 O ATOM 662 CB GLN A 44 -30.445 -16.676 -3.393 1.00 53.01 C ATOM 663 CG GLN A 44 -31.301 -15.538 -2.860 1.00 53.14 C ATOM 664 CD GLN A 44 -32.732 -15.964 -2.597 1.00 12.44 C ATOM 665 OE1 GLN A 44 -33.072 -16.410 -1.502 1.00 4.51 O ATOM 666 NE2 GLN A 44 -33.582 -15.818 -3.599 1.00 42.54 N ATOM 0 H GLN A 44 -29.153 -16.492 -1.289 1.00 22.21 H new ATOM 0 HA GLN A 44 -31.289 -18.188 -2.124 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -29.455 -16.291 -3.639 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -30.883 -17.046 -4.320 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -30.862 -15.159 -1.937 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -31.295 -14.717 -3.576 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -33.259 -15.444 -4.491 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -34.561 -16.079 -3.480 1.00 42.54 H new ATOM 675 N PHE A 45 -28.298 -19.187 -2.698 1.00 2.34 N ATOM 676 CA PHE A 45 -27.502 -20.288 -3.223 1.00 54.05 C ATOM 677 C PHE A 45 -27.233 -21.318 -2.134 1.00 52.21 C ATOM 678 O PHE A 45 -26.733 -22.409 -2.406 1.00 54.32 O ATOM 679 CB PHE A 45 -26.175 -19.777 -3.789 1.00 21.10 C ATOM 680 CG PHE A 45 -26.329 -18.869 -4.977 1.00 62.12 C ATOM 681 CD1 PHE A 45 -26.575 -19.392 -6.237 1.00 10.23 C ATOM 682 CD2 PHE A 45 -26.225 -17.495 -4.837 1.00 52.02 C ATOM 683 CE1 PHE A 45 -26.716 -18.560 -7.333 1.00 25.21 C ATOM 684 CE2 PHE A 45 -26.364 -16.659 -5.927 1.00 22.14 C ATOM 685 CZ PHE A 45 -26.610 -17.192 -7.177 1.00 32.51 C ATOM 0 H PHE A 45 -27.808 -18.595 -2.027 1.00 2.34 H new ATOM 0 HA PHE A 45 -28.068 -20.759 -4.027 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -25.638 -19.245 -3.004 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -25.560 -20.631 -4.074 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -26.658 -20.461 -6.364 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -26.033 -17.072 -3.862 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -26.909 -18.980 -8.309 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -26.280 -15.589 -5.802 1.00 22.14 H new ATOM 0 HZ PHE A 45 -26.719 -16.540 -8.031 1.00 32.51 H new ATOM 695 N GLN A 46 -27.586 -20.974 -0.905 1.00 72.45 N ATOM 696 CA GLN A 46 -27.301 -21.829 0.238 1.00 75.13 C ATOM 697 C GLN A 46 -28.423 -22.841 0.450 1.00 33.34 C ATOM 698 O GLN A 46 -29.592 -22.469 0.548 1.00 13.13 O ATOM 699 CB GLN A 46 -27.098 -20.978 1.496 1.00 64.41 C ATOM 700 CG GLN A 46 -26.621 -21.774 2.697 1.00 21.44 C ATOM 701 CD GLN A 46 -26.189 -20.900 3.860 1.00 44.02 C ATOM 702 OE1 GLN A 46 -26.837 -19.756 4.024 1.00 34.13 O flip ATOM 703 NE2 GLN A 46 -25.284 -21.260 4.612 1.00 64.01 N flip ATOM 0 H GLN A 46 -28.071 -20.107 -0.673 1.00 72.45 H new ATOM 0 HA GLN A 46 -26.382 -22.380 0.037 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -26.374 -20.192 1.280 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -28.037 -20.485 1.747 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -27.421 -22.437 3.027 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -25.786 -22.407 2.397 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -24.810 -22.149 4.451 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -25.008 -20.670 5.397 1.00 64.01 H new ATOM 712 N GLY A 47 -28.058 -24.120 0.492 1.00 61.23 N ATOM 713 CA GLY A 47 -29.034 -25.171 0.717 1.00 30.52 C ATOM 714 C GLY A 47 -29.814 -25.516 -0.536 1.00 5.25 C ATOM 715 O GLY A 47 -30.902 -26.092 -0.464 1.00 33.03 O ATOM 0 H GLY A 47 -27.099 -24.447 0.374 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -28.525 -26.063 1.082 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -29.727 -24.858 1.498 1.00 30.52 H new ATOM 719 N LYS A 48 -29.262 -25.156 -1.686 1.00 74.22 N ATOM 720 CA LYS A 48 -29.915 -25.418 -2.957 1.00 25.13 C ATOM 721 C LYS A 48 -29.232 -26.572 -3.669 1.00 55.24 C ATOM 722 O LYS A 48 -28.067 -26.876 -3.398 1.00 42.13 O ATOM 723 CB LYS A 48 -29.875 -24.176 -3.851 1.00 2.30 C ATOM 724 CG LYS A 48 -30.321 -22.897 -3.159 1.00 31.41 C ATOM 725 CD LYS A 48 -31.727 -23.010 -2.589 1.00 43.32 C ATOM 726 CE LYS A 48 -32.173 -21.700 -1.959 1.00 50.32 C ATOM 727 NZ LYS A 48 -33.542 -21.785 -1.385 1.00 10.22 N ATOM 0 H LYS A 48 -28.363 -24.681 -1.763 1.00 74.22 H new ATOM 0 HA LYS A 48 -30.954 -25.678 -2.757 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -28.859 -24.041 -4.221 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -30.510 -24.347 -4.720 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -29.624 -22.659 -2.356 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -30.284 -22.071 -3.869 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -32.422 -23.291 -3.381 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -31.757 -23.804 -1.843 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -31.470 -21.419 -1.175 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -32.145 -20.911 -2.710 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -33.801 -20.868 -0.968 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -34.219 -22.027 -2.136 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -33.565 -22.519 -0.649 1.00 10.22 H new ATOM 741 N SER A 49 -29.957 -27.216 -4.569 1.00 13.41 N ATOM 742 CA SER A 49 -29.391 -28.269 -5.393 1.00 51.51 C ATOM 743 C SER A 49 -28.245 -27.723 -6.238 1.00 12.24 C ATOM 744 O SER A 49 -28.376 -26.670 -6.868 1.00 74.40 O ATOM 745 CB SER A 49 -30.470 -28.858 -6.299 1.00 73.24 C ATOM 746 OG SER A 49 -31.611 -29.234 -5.549 1.00 23.44 O ATOM 0 H SER A 49 -30.943 -27.026 -4.747 1.00 13.41 H new ATOM 0 HA SER A 49 -29.004 -29.052 -4.742 1.00 51.51 H new ATOM 0 HB2 SER A 49 -30.753 -28.127 -7.057 1.00 73.24 H new ATOM 0 HB3 SER A 49 -30.074 -29.726 -6.826 1.00 73.24 H new ATOM 0 HG SER A 49 -32.289 -29.607 -6.150 1.00 23.44 H new ATOM 752 N LYS A 50 -27.128 -28.441 -6.251 1.00 4.42 N ATOM 753 CA LYS A 50 -25.950 -28.018 -6.996 1.00 71.43 C ATOM 754 C LYS A 50 -26.249 -27.931 -8.480 1.00 23.45 C ATOM 755 O LYS A 50 -25.811 -26.998 -9.155 1.00 32.41 O ATOM 756 CB LYS A 50 -24.789 -28.974 -6.750 1.00 4.10 C ATOM 757 CG LYS A 50 -24.202 -28.849 -5.358 1.00 64.11 C ATOM 758 CD LYS A 50 -23.096 -29.857 -5.128 1.00 23.40 C ATOM 759 CE LYS A 50 -22.406 -29.618 -3.798 1.00 14.31 C ATOM 760 NZ LYS A 50 -23.352 -29.691 -2.648 1.00 52.11 N ATOM 0 H LYS A 50 -27.014 -29.323 -5.751 1.00 4.42 H new ATOM 0 HA LYS A 50 -25.669 -27.026 -6.643 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -25.130 -29.998 -6.904 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -24.008 -28.785 -7.486 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -23.812 -27.841 -5.216 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -24.988 -28.994 -4.617 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -23.509 -30.866 -5.151 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -22.367 -29.792 -5.936 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -21.616 -30.357 -3.663 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -21.928 -28.639 -3.810 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -22.818 -29.657 -1.756 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -24.010 -28.887 -2.688 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -23.889 -30.580 -2.696 1.00 52.11 H new ATOM 774 N LEU A 51 -27.010 -28.894 -8.982 1.00 35.35 N ATOM 775 CA LEU A 51 -27.414 -28.892 -10.379 1.00 23.42 C ATOM 776 C LEU A 51 -28.090 -27.573 -10.728 1.00 5.20 C ATOM 777 O LEU A 51 -27.751 -26.938 -11.724 1.00 63.51 O ATOM 778 CB LEU A 51 -28.366 -30.057 -10.674 1.00 12.31 C ATOM 779 CG LEU A 51 -27.767 -31.456 -10.509 1.00 32.31 C ATOM 780 CD1 LEU A 51 -28.823 -32.517 -10.770 1.00 43.12 C ATOM 781 CD2 LEU A 51 -26.581 -31.647 -11.442 1.00 32.51 C ATOM 0 H LEU A 51 -27.359 -29.686 -8.442 1.00 35.35 H new ATOM 0 HA LEU A 51 -26.520 -29.011 -10.991 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -29.231 -29.972 -10.017 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -28.731 -29.955 -11.696 1.00 12.31 H new ATOM 0 HG LEU A 51 -27.415 -31.560 -9.483 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -28.382 -33.507 -10.649 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -29.643 -32.396 -10.062 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -29.202 -32.411 -11.786 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -26.170 -32.648 -11.308 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -26.907 -31.523 -12.475 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -25.815 -30.907 -11.212 1.00 32.51 H new ATOM 793 N GLU A 52 -29.010 -27.147 -9.867 1.00 71.20 N ATOM 794 CA GLU A 52 -29.762 -25.916 -10.079 1.00 3.31 C ATOM 795 C GLU A 52 -28.841 -24.704 -10.074 1.00 30.12 C ATOM 796 O GLU A 52 -28.975 -23.812 -10.917 1.00 1.51 O ATOM 797 CB GLU A 52 -30.841 -25.757 -9.007 1.00 30.33 C ATOM 798 CG GLU A 52 -31.889 -26.859 -9.047 1.00 23.32 C ATOM 799 CD GLU A 52 -32.505 -27.009 -10.422 1.00 25.24 C ATOM 800 OE1 GLU A 52 -33.352 -26.168 -10.793 1.00 33.02 O ATOM 801 OE2 GLU A 52 -32.129 -27.952 -11.145 1.00 61.13 O ATOM 0 H GLU A 52 -29.253 -27.642 -9.009 1.00 71.20 H new ATOM 0 HA GLU A 52 -30.240 -25.980 -11.057 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -30.370 -25.748 -8.024 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -31.332 -24.792 -9.134 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -31.433 -27.803 -8.749 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -32.672 -26.640 -8.321 1.00 23.32 H new ATOM 808 N GLN A 53 -27.902 -24.682 -9.131 1.00 12.11 N ATOM 809 CA GLN A 53 -26.936 -23.594 -9.035 1.00 42.34 C ATOM 810 C GLN A 53 -26.157 -23.469 -10.337 1.00 43.01 C ATOM 811 O GLN A 53 -26.037 -22.384 -10.906 1.00 50.30 O ATOM 812 CB GLN A 53 -25.947 -23.853 -7.898 1.00 43.04 C ATOM 813 CG GLN A 53 -26.581 -24.027 -6.529 1.00 62.32 C ATOM 814 CD GLN A 53 -25.603 -24.612 -5.528 1.00 34.52 C ATOM 815 OE1 GLN A 53 -24.712 -25.373 -5.897 1.00 70.33 O ATOM 816 NE2 GLN A 53 -25.754 -24.262 -4.265 1.00 33.33 N ATOM 0 H GLN A 53 -27.791 -25.407 -8.422 1.00 12.11 H new ATOM 0 HA GLN A 53 -27.484 -22.673 -8.839 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -25.372 -24.749 -8.133 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -25.241 -23.023 -7.853 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -26.938 -23.062 -6.168 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -27.451 -24.678 -6.611 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -26.507 -23.627 -3.998 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -25.118 -24.626 -3.555 1.00 33.33 H new ATOM 825 N HIS A 54 -25.673 -24.606 -10.827 1.00 11.40 N ATOM 826 CA HIS A 54 -24.841 -24.633 -12.024 1.00 50.22 C ATOM 827 C HIS A 54 -25.665 -24.272 -13.250 1.00 75.33 C ATOM 828 O HIS A 54 -25.193 -23.550 -14.122 1.00 22.05 O ATOM 829 CB HIS A 54 -24.183 -26.008 -12.204 1.00 60.03 C ATOM 830 CG HIS A 54 -23.365 -26.441 -11.025 1.00 0.23 C ATOM 831 ND1 HIS A 54 -23.342 -27.738 -10.565 1.00 44.12 N ATOM 832 CD2 HIS A 54 -22.557 -25.737 -10.193 1.00 72.31 C ATOM 833 CE1 HIS A 54 -22.569 -27.812 -9.499 1.00 21.24 C ATOM 834 NE2 HIS A 54 -22.078 -26.614 -9.253 1.00 73.11 N ATOM 0 H HIS A 54 -25.843 -25.522 -10.412 1.00 11.40 H new ATOM 0 HA HIS A 54 -24.050 -23.893 -11.905 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -24.959 -26.751 -12.390 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -23.546 -25.984 -13.088 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -22.333 -24.683 -10.258 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -22.371 -28.705 -8.924 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -21.445 -26.377 -8.489 1.00 73.11 H new ATOM 843 N ARG A 55 -26.902 -24.769 -13.301 1.00 60.31 N ATOM 844 CA ARG A 55 -27.830 -24.421 -14.375 1.00 40.14 C ATOM 845 C ARG A 55 -27.969 -22.914 -14.495 1.00 43.34 C ATOM 846 O ARG A 55 -27.765 -22.339 -15.566 1.00 3.25 O ATOM 847 CB ARG A 55 -29.212 -25.021 -14.111 1.00 52.11 C ATOM 848 CG ARG A 55 -29.274 -26.532 -14.266 1.00 35.13 C ATOM 849 CD ARG A 55 -30.620 -27.087 -13.826 1.00 61.41 C ATOM 850 NE ARG A 55 -31.688 -26.802 -14.786 1.00 74.14 N ATOM 851 CZ ARG A 55 -32.957 -27.174 -14.618 1.00 14.23 C ATOM 852 NH1 ARG A 55 -33.353 -27.734 -13.479 1.00 74.13 N ATOM 853 NH2 ARG A 55 -33.840 -26.959 -15.585 1.00 52.14 N ATOM 0 H ARG A 55 -27.283 -25.415 -12.609 1.00 60.31 H new ATOM 0 HA ARG A 55 -27.427 -24.827 -15.303 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -29.523 -24.757 -13.100 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -29.930 -24.567 -14.794 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -29.093 -26.799 -15.307 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -28.480 -26.991 -13.677 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -30.537 -28.165 -13.690 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -30.885 -26.663 -12.857 1.00 61.41 H new ATOM 0 HE ARG A 55 -31.447 -26.288 -15.634 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -32.684 -27.882 -12.724 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -34.326 -28.015 -13.360 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -33.547 -26.511 -16.453 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -34.812 -27.242 -15.460 1.00 52.14 H new ATOM 867 N MET A 56 -28.302 -22.282 -13.381 1.00 5.13 N ATOM 868 CA MET A 56 -28.550 -20.852 -13.366 1.00 13.24 C ATOM 869 C MET A 56 -27.295 -20.072 -13.747 1.00 73.24 C ATOM 870 O MET A 56 -27.354 -19.158 -14.574 1.00 12.14 O ATOM 871 CB MET A 56 -29.051 -20.398 -11.994 1.00 12.34 C ATOM 872 CG MET A 56 -30.396 -20.991 -11.604 1.00 75.15 C ATOM 873 SD MET A 56 -30.968 -20.423 -9.988 1.00 61.02 S ATOM 874 CE MET A 56 -29.628 -20.974 -8.934 1.00 11.14 C ATOM 0 H MET A 56 -28.407 -22.739 -12.475 1.00 5.13 H new ATOM 0 HA MET A 56 -29.323 -20.646 -14.106 1.00 13.24 H new ATOM 0 HB2 MET A 56 -28.312 -20.670 -11.240 1.00 12.34 H new ATOM 0 HB3 MET A 56 -29.128 -19.311 -11.987 1.00 12.34 H new ATOM 0 HG2 MET A 56 -31.137 -20.729 -12.359 1.00 75.15 H new ATOM 0 HG3 MET A 56 -30.320 -22.078 -11.596 1.00 75.15 H new ATOM 0 HE1 MET A 56 -29.886 -20.790 -7.891 1.00 11.14 H new ATOM 0 HE2 MET A 56 -29.462 -22.041 -9.084 1.00 11.14 H new ATOM 0 HE3 MET A 56 -28.719 -20.427 -9.185 1.00 11.14 H new ATOM 884 N ILE A 57 -26.157 -20.444 -13.157 1.00 55.45 N ATOM 885 CA ILE A 57 -24.901 -19.750 -13.430 1.00 13.21 C ATOM 886 C ILE A 57 -24.484 -19.924 -14.891 1.00 34.43 C ATOM 887 O ILE A 57 -24.073 -18.965 -15.541 1.00 62.10 O ATOM 888 CB ILE A 57 -23.762 -20.227 -12.493 1.00 42.03 C ATOM 889 CG1 ILE A 57 -24.140 -19.990 -11.025 1.00 2.03 C ATOM 890 CG2 ILE A 57 -22.452 -19.518 -12.819 1.00 32.31 C ATOM 891 CD1 ILE A 57 -24.532 -18.558 -10.716 1.00 2.10 C ATOM 0 H ILE A 57 -26.081 -21.215 -12.493 1.00 55.45 H new ATOM 0 HA ILE A 57 -25.075 -18.692 -13.236 1.00 13.21 H new ATOM 0 HB ILE A 57 -23.621 -21.296 -12.653 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -24.968 -20.648 -10.762 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -23.297 -20.270 -10.393 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -21.670 -19.871 -12.147 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -22.169 -19.732 -13.850 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -22.579 -18.443 -12.694 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -24.785 -18.470 -9.660 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -23.698 -17.895 -10.946 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -25.395 -18.278 -11.321 1.00 2.10 H new ATOM 903 N TYR A 58 -24.619 -21.136 -15.418 1.00 15.22 N ATOM 904 CA TYR A 58 -24.277 -21.396 -16.813 1.00 4.35 C ATOM 905 C TYR A 58 -25.220 -20.657 -17.755 1.00 73.40 C ATOM 906 O TYR A 58 -24.819 -20.232 -18.836 1.00 43.54 O ATOM 907 CB TYR A 58 -24.312 -22.895 -17.126 1.00 3.41 C ATOM 908 CG TYR A 58 -23.171 -23.689 -16.520 1.00 74.31 C ATOM 909 CD1 TYR A 58 -22.014 -23.059 -16.072 1.00 21.34 C ATOM 910 CD2 TYR A 58 -23.247 -25.073 -16.409 1.00 0.24 C ATOM 911 CE1 TYR A 58 -20.968 -23.786 -15.534 1.00 75.23 C ATOM 912 CE2 TYR A 58 -22.207 -25.806 -15.869 1.00 44.13 C ATOM 913 CZ TYR A 58 -21.071 -25.158 -15.432 1.00 54.23 C ATOM 914 OH TYR A 58 -20.030 -25.886 -14.903 1.00 40.03 O ATOM 0 H TYR A 58 -24.960 -21.949 -14.905 1.00 15.22 H new ATOM 0 HA TYR A 58 -23.262 -21.030 -16.967 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -25.255 -23.307 -16.767 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -24.297 -23.028 -18.208 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -21.932 -21.985 -16.146 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -24.135 -25.584 -16.751 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -20.075 -23.282 -15.195 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -22.284 -26.880 -15.790 1.00 44.13 H new ATOM 0 HH TYR A 58 -20.264 -26.838 -14.901 1.00 40.03 H new ATOM 924 N LYS A 59 -26.473 -20.504 -17.340 1.00 73.42 N ATOM 925 CA LYS A 59 -27.468 -19.833 -18.164 1.00 51.11 C ATOM 926 C LYS A 59 -27.217 -18.322 -18.197 1.00 44.10 C ATOM 927 O LYS A 59 -27.381 -17.684 -19.237 1.00 22.41 O ATOM 928 CB LYS A 59 -28.881 -20.143 -17.649 1.00 13.12 C ATOM 929 CG LYS A 59 -29.993 -19.867 -18.657 1.00 73.15 C ATOM 930 CD LYS A 59 -30.482 -18.424 -18.615 1.00 61.04 C ATOM 931 CE LYS A 59 -31.221 -18.122 -17.321 1.00 2.45 C ATOM 932 NZ LYS A 59 -31.861 -16.779 -17.340 1.00 73.34 N ATOM 0 H LYS A 59 -26.822 -20.835 -16.440 1.00 73.42 H new ATOM 0 HA LYS A 59 -27.384 -20.208 -19.184 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -28.926 -21.192 -17.355 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -29.065 -19.552 -16.752 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -29.633 -20.095 -19.660 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -30.831 -20.536 -18.459 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -29.633 -17.748 -18.716 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -31.141 -18.237 -19.463 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -31.983 -18.883 -17.153 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -30.524 -18.179 -16.485 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -32.353 -16.616 -16.438 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -31.132 -16.049 -17.474 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -32.546 -16.732 -18.121 1.00 73.34 H new ATOM 946 N VAL A 60 -26.815 -17.752 -17.063 1.00 40.42 N ATOM 947 CA VAL A 60 -26.554 -16.314 -16.995 1.00 13.04 C ATOM 948 C VAL A 60 -25.167 -15.973 -17.559 1.00 62.12 C ATOM 949 O VAL A 60 -24.974 -14.908 -18.149 1.00 21.20 O ATOM 950 CB VAL A 60 -26.712 -15.767 -15.551 1.00 40.25 C ATOM 951 CG1 VAL A 60 -25.696 -16.379 -14.600 1.00 54.03 C ATOM 952 CG2 VAL A 60 -26.622 -14.248 -15.533 1.00 74.32 C ATOM 0 H VAL A 60 -26.664 -18.255 -16.189 1.00 40.42 H new ATOM 0 HA VAL A 60 -27.303 -15.823 -17.616 1.00 13.04 H new ATOM 0 HB VAL A 60 -27.703 -16.058 -15.201 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -25.841 -15.970 -13.600 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -25.829 -17.460 -14.572 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -24.689 -16.146 -14.945 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -26.736 -13.889 -14.510 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -25.652 -13.936 -15.921 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -27.413 -13.829 -16.155 1.00 74.32 H new ATOM 962 N LEU A 61 -24.216 -16.893 -17.410 1.00 32.20 N ATOM 963 CA LEU A 61 -22.881 -16.711 -17.978 1.00 23.13 C ATOM 964 C LEU A 61 -22.838 -17.185 -19.426 1.00 43.05 C ATOM 965 O LEU A 61 -21.773 -17.237 -20.042 1.00 70.44 O ATOM 966 CB LEU A 61 -21.819 -17.452 -17.153 1.00 21.35 C ATOM 967 CG LEU A 61 -21.153 -16.639 -16.038 1.00 63.31 C ATOM 968 CD1 LEU A 61 -20.468 -15.408 -16.615 1.00 14.42 C ATOM 969 CD2 LEU A 61 -22.160 -16.244 -14.974 1.00 52.20 C ATOM 0 H LEU A 61 -24.344 -17.769 -16.903 1.00 32.20 H new ATOM 0 HA LEU A 61 -22.657 -15.645 -17.950 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -22.282 -18.333 -16.708 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -21.043 -17.808 -17.831 1.00 21.35 H new ATOM 0 HG LEU A 61 -20.397 -17.266 -15.565 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -20.000 -14.841 -15.810 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -19.707 -15.717 -17.331 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -21.206 -14.783 -17.117 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -21.660 -15.668 -14.195 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -22.947 -15.639 -15.424 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -22.598 -17.141 -14.537 1.00 52.20 H new ATOM 981 N ASP A 62 -24.002 -17.533 -19.959 1.00 51.31 N ATOM 982 CA ASP A 62 -24.124 -17.924 -21.358 1.00 11.45 C ATOM 983 C ASP A 62 -23.833 -16.728 -22.258 1.00 35.13 C ATOM 984 O ASP A 62 -24.525 -15.710 -22.198 1.00 45.22 O ATOM 985 CB ASP A 62 -25.524 -18.480 -21.633 1.00 14.42 C ATOM 986 CG ASP A 62 -25.779 -18.750 -23.101 1.00 30.25 C ATOM 987 OD1 ASP A 62 -25.044 -19.560 -23.702 1.00 3.33 O ATOM 988 OD2 ASP A 62 -26.729 -18.157 -23.657 1.00 64.21 O ATOM 0 H ASP A 62 -24.880 -17.552 -19.440 1.00 51.31 H new ATOM 0 HA ASP A 62 -23.397 -18.707 -21.574 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -25.658 -19.404 -21.071 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -26.268 -17.773 -21.265 1.00 14.42 H new ATOM 993 N GLY A 63 -22.801 -16.854 -23.075 1.00 4.15 N ATOM 994 CA GLY A 63 -22.338 -15.742 -23.879 1.00 43.43 C ATOM 995 C GLY A 63 -20.905 -15.399 -23.540 1.00 33.13 C ATOM 996 O GLY A 63 -20.579 -14.250 -23.238 1.00 43.24 O ATOM 0 H GLY A 63 -22.270 -17.716 -23.197 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -22.417 -15.994 -24.937 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -22.975 -14.874 -23.710 1.00 43.43 H new ATOM 1000 N LEU A 64 -20.051 -16.412 -23.578 1.00 51.34 N ATOM 1001 CA LEU A 64 -18.661 -16.260 -23.174 1.00 3.45 C ATOM 1002 C LEU A 64 -17.780 -15.926 -24.369 1.00 42.35 C ATOM 1003 O LEU A 64 -18.138 -16.208 -25.514 1.00 0.34 O ATOM 1004 CB LEU A 64 -18.171 -17.534 -22.463 1.00 54.54 C ATOM 1005 CG LEU A 64 -18.425 -18.857 -23.198 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -17.360 -19.110 -24.255 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -18.480 -20.010 -22.209 1.00 63.23 C ATOM 0 H LEU A 64 -20.298 -17.352 -23.886 1.00 51.34 H new ATOM 0 HA LEU A 64 -18.594 -15.428 -22.473 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -17.099 -17.439 -22.288 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -18.650 -17.587 -21.485 1.00 54.54 H new ATOM 0 HG LEU A 64 -19.388 -18.784 -23.703 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -17.565 -20.054 -24.760 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -17.371 -18.299 -24.984 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -16.380 -19.158 -23.780 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -18.661 -20.941 -22.746 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -17.532 -20.077 -21.675 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -19.287 -19.840 -21.496 1.00 63.23 H new ATOM 1019 N ASN A 65 -16.640 -15.306 -24.096 1.00 64.21 N ATOM 1020 CA ASN A 65 -15.676 -14.975 -25.135 1.00 60.20 C ATOM 1021 C ASN A 65 -14.265 -15.231 -24.629 1.00 64.31 C ATOM 1022 O ASN A 65 -13.522 -16.022 -25.205 1.00 34.35 O ATOM 1023 CB ASN A 65 -15.808 -13.509 -25.572 1.00 11.43 C ATOM 1024 CG ASN A 65 -17.148 -13.190 -26.206 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -18.092 -12.802 -25.521 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -17.239 -13.352 -27.517 1.00 54.41 N ATOM 0 H ASN A 65 -16.360 -15.021 -23.158 1.00 64.21 H new ATOM 0 HA ASN A 65 -15.879 -15.608 -25.998 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -15.661 -12.864 -24.705 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -15.014 -13.276 -26.281 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -18.117 -13.153 -27.996 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -16.431 -13.676 -28.048 1.00 54.41 H new ATOM 1080 N ILE A 69 -16.021 -18.997 -16.354 1.00 52.42 N ATOM 1081 CA ILE A 69 -16.015 -19.493 -14.982 1.00 0.05 C ATOM 1082 C ILE A 69 -15.104 -18.670 -14.066 1.00 34.51 C ATOM 1083 O ILE A 69 -13.974 -19.054 -13.771 1.00 0.24 O ATOM 1084 CB ILE A 69 -15.627 -20.990 -14.915 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -14.372 -21.264 -15.750 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -16.787 -21.857 -15.389 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -13.877 -22.691 -15.655 1.00 43.35 C ATOM 0 HA ILE A 69 -17.037 -19.384 -14.619 1.00 0.05 H new ATOM 0 HB ILE A 69 -15.405 -21.243 -13.878 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -14.583 -21.031 -16.794 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -13.578 -20.591 -15.427 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -16.501 -22.908 -15.337 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -17.654 -21.685 -14.751 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -17.037 -21.600 -16.418 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -12.986 -22.809 -16.272 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -13.633 -22.923 -14.618 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -14.654 -23.370 -16.006 1.00 43.35 H new ATOM 1099 N GLN A 70 -15.601 -17.516 -13.650 1.00 62.22 N ATOM 1100 CA GLN A 70 -14.928 -16.703 -12.640 1.00 45.13 C ATOM 1101 C GLN A 70 -15.927 -16.303 -11.564 1.00 54.23 C ATOM 1102 O GLN A 70 -15.702 -15.372 -10.792 1.00 20.23 O ATOM 1103 CB GLN A 70 -14.275 -15.457 -13.255 1.00 3.32 C ATOM 1104 CG GLN A 70 -15.226 -14.598 -14.067 1.00 45.50 C ATOM 1105 CD GLN A 70 -14.963 -14.704 -15.553 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -13.826 -14.923 -15.980 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -16.006 -14.551 -16.347 1.00 43.43 N ATOM 0 H GLN A 70 -16.473 -17.116 -13.996 1.00 62.22 H new ATOM 0 HA GLN A 70 -14.131 -17.300 -12.197 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -13.848 -14.852 -12.456 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -13.449 -15.770 -13.894 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -16.253 -14.899 -13.859 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -15.129 -13.558 -13.756 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -16.928 -14.371 -15.949 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -15.890 -14.612 -17.359 1.00 43.43 H new ATOM 1116 N ILE A 71 -17.035 -17.025 -11.521 1.00 33.52 N ATOM 1117 CA ILE A 71 -18.056 -16.797 -10.519 1.00 32.34 C ATOM 1118 C ILE A 71 -18.103 -17.973 -9.549 1.00 21.45 C ATOM 1119 O ILE A 71 -18.344 -19.114 -9.942 1.00 21.34 O ATOM 1120 CB ILE A 71 -19.439 -16.559 -11.168 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -20.542 -16.522 -10.104 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -19.724 -17.617 -12.224 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -21.894 -16.102 -10.642 1.00 61.50 C ATOM 0 H ILE A 71 -17.248 -17.778 -12.175 1.00 33.52 H new ATOM 0 HA ILE A 71 -17.799 -15.894 -9.965 1.00 32.34 H new ATOM 0 HB ILE A 71 -19.425 -15.588 -11.662 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -20.632 -17.510 -9.652 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -20.247 -15.834 -9.311 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -20.702 -17.433 -12.669 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -18.958 -17.573 -12.999 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -19.716 -18.604 -11.762 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -22.623 -16.099 -9.832 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -21.821 -15.101 -11.068 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -22.212 -16.803 -11.414 1.00 61.50 H new ATOM 1135 N GLN A 72 -17.848 -17.688 -8.285 1.00 4.42 N ATOM 1136 CA GLN A 72 -17.813 -18.719 -7.264 1.00 11.31 C ATOM 1137 C GLN A 72 -18.960 -18.526 -6.283 1.00 41.51 C ATOM 1138 O GLN A 72 -18.957 -17.593 -5.485 1.00 30.42 O ATOM 1139 CB GLN A 72 -16.473 -18.687 -6.525 1.00 73.05 C ATOM 1140 CG GLN A 72 -15.267 -18.868 -7.435 1.00 75.12 C ATOM 1141 CD GLN A 72 -13.951 -18.817 -6.683 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -13.353 -17.751 -6.520 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -13.486 -19.970 -6.223 1.00 23.21 N ATOM 0 H GLN A 72 -17.661 -16.746 -7.940 1.00 4.42 H new ATOM 0 HA GLN A 72 -17.924 -19.691 -7.744 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -16.381 -17.737 -5.999 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -16.467 -19.472 -5.768 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -15.348 -19.824 -7.952 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -15.274 -18.091 -8.199 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -14.011 -20.830 -6.379 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -12.603 -19.997 -5.713 1.00 23.21 H new ATOM 1152 N THR A 73 -19.941 -19.405 -6.349 1.00 51.10 N ATOM 1153 CA THR A 73 -21.104 -19.314 -5.487 1.00 71.51 C ATOM 1154 C THR A 73 -20.878 -20.061 -4.177 1.00 31.34 C ATOM 1155 O THR A 73 -20.297 -21.148 -4.166 1.00 0.24 O ATOM 1156 CB THR A 73 -22.351 -19.874 -6.195 1.00 1.24 C ATOM 1157 OG1 THR A 73 -22.037 -21.129 -6.816 1.00 14.45 O ATOM 1158 CG2 THR A 73 -22.858 -18.895 -7.244 1.00 60.22 C ATOM 0 H THR A 73 -19.956 -20.195 -6.994 1.00 51.10 H new ATOM 0 HA THR A 73 -21.265 -18.260 -5.263 1.00 71.51 H new ATOM 0 HB THR A 73 -23.133 -20.023 -5.451 1.00 1.24 H new ATOM 0 HG1 THR A 73 -22.835 -21.481 -7.263 1.00 14.45 H new ATOM 0 HG21 THR A 73 -23.740 -19.310 -7.733 1.00 60.22 H new ATOM 0 HG22 THR A 73 -23.119 -17.951 -6.765 1.00 60.22 H new ATOM 0 HG23 THR A 73 -22.079 -18.722 -7.987 1.00 60.22 H new ATOM 1166 N GLY A 74 -21.322 -19.463 -3.076 1.00 12.20 N ATOM 1167 CA GLY A 74 -21.213 -20.103 -1.778 1.00 10.41 C ATOM 1168 C GLY A 74 -22.172 -21.269 -1.637 1.00 15.25 C ATOM 1169 O GLY A 74 -23.274 -21.117 -1.107 1.00 44.31 O ATOM 0 H GLY A 74 -21.758 -18.541 -3.060 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -20.192 -20.454 -1.632 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -21.414 -19.372 -0.995 1.00 10.41 H new