USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 611 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 Single : A 5 THR OG1 : rot 33:sc= 0.465 USER MOD Single : A 8 CYS SG : rot 160:sc= -3.51! USER MOD Single : A 9 THR OG1 : rot -25:sc= 0.032 USER MOD Single : A 12 GLN : amide:sc= 0.467 K(o=0.47,f=-0.26) USER MOD Single : A 18 GLN : amide:sc= -2.23 K(o=-2.2,f=-8!) USER MOD Single : A 21 GLN : amide:sc= -2.15 K(o=-2.2,f=-8.6!) USER MOD Single : A 23 TYR OH : rot 120:sc= -0.725 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.5 K(o=-1.5,f=-3.1) USER MOD Single : A 36 SER OG : rot -110:sc= -1.43 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.189 K(o=-0.19,f=-2.5!) USER MOD Single : A 44 GLN : amide:sc= -0.728 K(o=-0.73,f=-2.2) USER MOD Single : A 45 HIS : no HD1:sc=-0.000218 X(o=-0.00022,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 176:sc= -0.0013 (180deg=-0.0234) USER MOD Single : A 52 ASN : amide:sc= -0.0871 K(o=-0.087,f=-0.78) USER MOD Single : A 54 LYS NZ :NH3+ -107:sc= -0.851 (180deg=-2.46!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.5!) USER MOD Single : A 58 MET CE :methyl -174:sc= -11.2! (180deg=-11.8!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0669 F(o=-0.99,f=-0.067) USER MOD Single : A 63 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-8.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -157:sc= -4.93 (180deg=-7.06!) USER MOD Single : A 73 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 5 -9.295 -18.351 40.856 1.00 61.43 N ATOM 63 CA THR A 5 -9.796 -18.847 39.581 1.00 75.42 C ATOM 64 C THR A 5 -11.184 -18.287 39.286 1.00 53.15 C ATOM 65 O THR A 5 -12.170 -18.681 39.910 1.00 32.22 O ATOM 66 CB THR A 5 -9.838 -20.377 39.589 1.00 2.14 C ATOM 67 OG1 THR A 5 -8.739 -20.906 40.314 1.00 3.05 O ATOM 68 CG2 THR A 5 -9.810 -20.987 38.204 1.00 34.41 C ATOM 0 HA THR A 5 -9.118 -18.513 38.796 1.00 75.42 H new ATOM 0 HB THR A 5 -10.786 -20.635 40.062 1.00 2.14 H new ATOM 0 HG1 THR A 5 -8.512 -20.302 41.051 1.00 3.05 H new ATOM 0 HG21 THR A 5 -9.842 -22.074 38.284 1.00 34.41 H new ATOM 0 HG22 THR A 5 -10.673 -20.639 37.636 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.895 -20.688 37.693 1.00 34.41 H new ATOM 76 N ILE A 6 -11.249 -17.364 38.333 1.00 1.53 N ATOM 77 CA ILE A 6 -12.511 -16.743 37.953 1.00 33.41 C ATOM 78 C ILE A 6 -13.179 -17.507 36.815 1.00 11.10 C ATOM 79 O ILE A 6 -12.649 -18.506 36.335 1.00 72.21 O ATOM 80 CB ILE A 6 -12.302 -15.274 37.525 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.531 -15.195 36.198 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.565 -14.508 38.613 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.631 -13.846 35.523 1.00 23.21 C ATOM 0 H ILE A 6 -10.440 -17.029 37.809 1.00 1.53 H new ATOM 0 HA ILE A 6 -13.158 -16.771 38.829 1.00 33.41 H new ATOM 0 HB ILE A 6 -13.281 -14.818 37.377 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.481 -15.423 36.382 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.910 -15.961 35.521 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -11.424 -13.474 38.298 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -12.149 -14.531 39.533 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.593 -14.969 38.788 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -11.064 -13.862 34.592 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.676 -13.624 35.307 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.226 -13.078 36.182 1.00 23.21 H new ATOM 95 N PHE A 7 -14.335 -17.017 36.380 1.00 13.34 N ATOM 96 CA PHE A 7 -15.070 -17.643 35.286 1.00 50.22 C ATOM 97 C PHE A 7 -15.157 -16.697 34.093 1.00 42.14 C ATOM 98 O PHE A 7 -16.007 -15.808 34.056 1.00 72.41 O ATOM 99 CB PHE A 7 -16.474 -18.049 35.741 1.00 50.24 C ATOM 100 CG PHE A 7 -16.929 -19.366 35.178 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.302 -20.545 35.547 1.00 13.11 C ATOM 102 CD2 PHE A 7 -17.982 -19.425 34.278 1.00 40.51 C ATOM 103 CE1 PHE A 7 -16.715 -21.759 35.031 1.00 14.44 C ATOM 104 CE2 PHE A 7 -18.400 -20.636 33.759 1.00 31.12 C ATOM 105 CZ PHE A 7 -17.765 -21.805 34.136 1.00 21.53 C ATOM 0 H PHE A 7 -14.784 -16.188 36.768 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.531 -18.541 34.983 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -16.493 -18.102 36.830 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -17.181 -17.273 35.447 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -15.480 -20.515 36.247 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.481 -18.515 33.979 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -16.217 -22.670 35.328 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.222 -20.669 33.059 1.00 31.12 H new ATOM 0 HZ PHE A 7 -18.090 -22.752 33.731 1.00 21.53 H new ATOM 115 N CYS A 8 -14.263 -16.887 33.129 1.00 31.32 N ATOM 116 CA CYS A 8 -14.226 -16.045 31.938 1.00 54.41 C ATOM 117 C CYS A 8 -15.510 -16.177 31.123 1.00 65.22 C ATOM 118 O CYS A 8 -15.725 -17.183 30.451 1.00 34.32 O ATOM 119 CB CYS A 8 -13.021 -16.422 31.074 1.00 24.25 C ATOM 120 SG CYS A 8 -12.724 -15.302 29.688 1.00 51.15 S ATOM 0 H CYS A 8 -13.552 -17.618 33.149 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.136 -15.008 32.260 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.131 -16.448 31.703 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.167 -17.430 30.687 1.00 24.25 H new ATOM 0 HG CYS A 8 -11.495 -15.429 29.284 1.00 51.15 H new ATOM 126 N THR A 9 -16.360 -15.155 31.190 1.00 52.25 N ATOM 127 CA THR A 9 -17.626 -15.159 30.458 1.00 12.21 C ATOM 128 C THR A 9 -17.399 -15.272 28.949 1.00 43.22 C ATOM 129 O THR A 9 -18.316 -15.614 28.203 1.00 73.23 O ATOM 130 CB THR A 9 -18.424 -13.893 30.778 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.764 -14.019 30.339 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.852 -12.641 30.147 1.00 1.45 C ATOM 0 H THR A 9 -16.196 -14.314 31.743 1.00 52.25 H new ATOM 0 HA THR A 9 -18.195 -16.032 30.777 1.00 12.21 H new ATOM 0 HB THR A 9 -18.369 -13.789 31.862 1.00 25.02 H new ATOM 0 HG1 THR A 9 -19.809 -14.671 29.608 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.468 -11.783 30.417 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.835 -12.484 30.507 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.840 -12.753 29.063 1.00 1.45 H new ATOM 140 N PHE A 10 -16.178 -14.988 28.503 1.00 65.32 N ATOM 141 CA PHE A 10 -15.853 -15.069 27.085 1.00 62.40 C ATOM 142 C PHE A 10 -15.729 -16.526 26.657 1.00 73.04 C ATOM 143 O PHE A 10 -16.376 -16.963 25.705 1.00 1.33 O ATOM 144 CB PHE A 10 -14.548 -14.327 26.791 1.00 25.33 C ATOM 145 CG PHE A 10 -14.150 -14.353 25.341 1.00 64.10 C ATOM 146 CD1 PHE A 10 -14.825 -13.582 24.408 1.00 61.21 C ATOM 147 CD2 PHE A 10 -13.099 -15.147 24.914 1.00 62.10 C ATOM 148 CE1 PHE A 10 -14.457 -13.602 23.076 1.00 51.44 C ATOM 149 CE2 PHE A 10 -12.726 -15.172 23.584 1.00 3.30 C ATOM 150 CZ PHE A 10 -13.406 -14.399 22.663 1.00 24.22 C ATOM 0 H PHE A 10 -15.403 -14.701 29.100 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.658 -14.599 26.519 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -14.650 -13.290 27.112 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -13.748 -14.768 27.386 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -15.648 -12.959 24.725 1.00 61.21 H new ATOM 0 HD2 PHE A 10 -12.564 -15.754 25.629 1.00 62.10 H new ATOM 0 HE1 PHE A 10 -14.990 -12.996 22.359 1.00 51.44 H new ATOM 0 HE2 PHE A 10 -11.904 -15.795 23.265 1.00 3.30 H new ATOM 0 HZ PHE A 10 -13.117 -14.417 21.623 1.00 24.22 H new ATOM 160 N LEU A 11 -14.900 -17.274 27.373 1.00 73.11 N ATOM 161 CA LEU A 11 -14.696 -18.687 27.080 1.00 31.00 C ATOM 162 C LEU A 11 -15.716 -19.543 27.820 1.00 73.10 C ATOM 163 O LEU A 11 -15.816 -20.748 27.585 1.00 62.15 O ATOM 164 CB LEU A 11 -13.281 -19.119 27.470 1.00 1.01 C ATOM 165 CG LEU A 11 -12.178 -18.111 27.149 1.00 4.35 C ATOM 166 CD1 LEU A 11 -11.150 -18.075 28.270 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.513 -18.452 25.824 1.00 2.01 C ATOM 0 H LEU A 11 -14.357 -16.925 28.163 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.827 -18.830 26.007 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.263 -19.323 28.541 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -13.052 -20.056 26.963 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.628 -17.122 27.062 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.371 -17.352 28.026 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.637 -17.784 29.201 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.705 -19.063 28.387 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.730 -17.724 25.612 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -11.075 -19.449 25.882 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.256 -18.428 25.027 1.00 2.01 H new ATOM 179 N GLN A 12 -16.469 -18.917 28.721 1.00 23.53 N ATOM 180 CA GLN A 12 -17.471 -19.624 29.498 1.00 23.44 C ATOM 181 C GLN A 12 -16.825 -20.748 30.299 1.00 25.43 C ATOM 182 O GLN A 12 -17.373 -21.846 30.404 1.00 51.41 O ATOM 183 CB GLN A 12 -18.561 -20.188 28.585 1.00 53.11 C ATOM 184 CG GLN A 12 -19.482 -19.124 28.011 1.00 64.42 C ATOM 185 CD GLN A 12 -20.452 -18.578 29.040 1.00 42.33 C ATOM 186 OE1 GLN A 12 -21.099 -19.336 29.763 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.558 -17.257 29.114 1.00 71.40 N ATOM 0 H GLN A 12 -16.401 -17.921 28.928 1.00 23.53 H new ATOM 0 HA GLN A 12 -17.929 -18.917 30.190 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -18.092 -20.732 27.765 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -19.156 -20.909 29.146 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -18.882 -18.306 27.612 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -20.042 -19.545 27.176 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -20.003 -16.665 28.496 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -21.194 -16.833 29.789 1.00 71.40 H new ATOM 196 N ARG A 13 -15.657 -20.462 30.868 1.00 31.42 N ATOM 197 CA ARG A 13 -14.930 -21.442 31.668 1.00 30.23 C ATOM 198 C ARG A 13 -14.232 -20.756 32.838 1.00 63.10 C ATOM 199 O ARG A 13 -14.253 -19.530 32.951 1.00 64.23 O ATOM 200 CB ARG A 13 -13.895 -22.183 30.813 1.00 73.20 C ATOM 201 CG ARG A 13 -14.176 -22.133 29.320 1.00 72.11 C ATOM 202 CD ARG A 13 -13.228 -23.032 28.545 1.00 24.42 C ATOM 203 NE ARG A 13 -11.882 -22.470 28.464 1.00 51.31 N ATOM 204 CZ ARG A 13 -10.787 -23.194 28.238 1.00 21.21 C ATOM 205 NH1 ARG A 13 -10.874 -24.508 28.074 1.00 22.03 N ATOM 206 NH2 ARG A 13 -9.602 -22.600 28.177 1.00 63.21 N ATOM 0 H ARG A 13 -15.193 -19.557 30.789 1.00 31.42 H new ATOM 0 HA ARG A 13 -15.649 -22.165 32.052 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -12.910 -21.755 31.001 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -13.856 -23.225 31.130 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -15.205 -22.439 29.132 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -14.079 -21.107 28.964 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -13.184 -24.010 29.024 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -13.617 -23.187 27.539 1.00 24.42 H new ATOM 0 HE ARG A 13 -11.774 -21.463 28.588 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -11.783 -24.969 28.121 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -10.032 -25.057 27.901 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -9.531 -21.590 28.303 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -8.763 -23.153 28.004 1.00 63.21 H new ATOM 220 N GLU A 14 -13.618 -21.550 33.709 1.00 1.13 N ATOM 221 CA GLU A 14 -12.923 -21.004 34.868 1.00 34.13 C ATOM 222 C GLU A 14 -11.432 -20.828 34.591 1.00 14.15 C ATOM 223 O GLU A 14 -10.715 -21.798 34.345 1.00 14.24 O ATOM 224 CB GLU A 14 -13.126 -21.901 36.090 1.00 13.12 C ATOM 225 CG GLU A 14 -13.240 -21.125 37.394 1.00 33.02 C ATOM 226 CD GLU A 14 -13.900 -21.928 38.497 1.00 62.23 C ATOM 227 OE1 GLU A 14 -13.639 -23.147 38.582 1.00 33.53 O ATOM 228 OE2 GLU A 14 -14.679 -21.339 39.278 1.00 65.42 O ATOM 0 H GLU A 14 -13.588 -22.567 33.635 1.00 1.13 H new ATOM 0 HA GLU A 14 -13.349 -20.022 35.074 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -14.028 -22.496 35.949 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -12.292 -22.599 36.162 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -12.245 -20.819 37.718 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.813 -20.214 37.221 1.00 33.02 H new ATOM 235 N ALA A 15 -10.973 -19.579 34.633 1.00 12.03 N ATOM 236 CA ALA A 15 -9.568 -19.267 34.393 1.00 21.22 C ATOM 237 C ALA A 15 -8.921 -18.666 35.637 1.00 54.41 C ATOM 238 O ALA A 15 -9.591 -18.429 36.643 1.00 2.04 O ATOM 239 CB ALA A 15 -9.433 -18.319 33.211 1.00 50.14 C ATOM 0 H ALA A 15 -11.556 -18.766 34.832 1.00 12.03 H new ATOM 0 HA ALA A 15 -9.048 -20.196 34.158 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.380 -18.095 33.043 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -9.851 -18.787 32.320 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -9.972 -17.395 33.422 1.00 50.14 H new ATOM 245 N GLU A 16 -7.615 -18.426 35.568 1.00 3.04 N ATOM 246 CA GLU A 16 -6.880 -17.858 36.695 1.00 72.43 C ATOM 247 C GLU A 16 -7.208 -16.381 36.900 1.00 31.24 C ATOM 248 O GLU A 16 -6.955 -15.824 37.969 1.00 54.24 O ATOM 249 CB GLU A 16 -5.373 -18.034 36.488 1.00 40.45 C ATOM 250 CG GLU A 16 -4.824 -17.233 35.318 1.00 2.55 C ATOM 251 CD GLU A 16 -3.534 -16.509 35.658 1.00 45.03 C ATOM 252 OE1 GLU A 16 -3.508 -15.793 36.681 1.00 44.31 O ATOM 253 OE2 GLU A 16 -2.552 -16.660 34.902 1.00 45.02 O ATOM 0 H GLU A 16 -7.044 -18.616 34.745 1.00 3.04 H new ATOM 0 HA GLU A 16 -7.189 -18.396 37.591 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -4.852 -17.736 37.398 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -5.157 -19.090 36.328 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -4.649 -17.902 34.475 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -5.571 -16.506 34.998 1.00 2.55 H new ATOM 260 N GLY A 17 -7.769 -15.753 35.876 1.00 52.13 N ATOM 261 CA GLY A 17 -8.119 -14.347 35.972 1.00 51.12 C ATOM 262 C GLY A 17 -6.906 -13.455 36.170 1.00 22.35 C ATOM 263 O GLY A 17 -5.769 -13.900 36.013 1.00 53.22 O ATOM 0 H GLY A 17 -7.988 -16.190 34.981 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.644 -14.044 35.066 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.810 -14.204 36.803 1.00 51.12 H new ATOM 267 N GLN A 18 -7.150 -12.193 36.515 1.00 21.14 N ATOM 268 CA GLN A 18 -6.069 -11.236 36.733 1.00 54.11 C ATOM 269 C GLN A 18 -6.009 -10.804 38.197 1.00 43.52 C ATOM 270 O GLN A 18 -6.807 -11.252 39.019 1.00 15.54 O ATOM 271 CB GLN A 18 -6.256 -10.010 35.836 1.00 11.52 C ATOM 272 CG GLN A 18 -6.517 -10.356 34.378 1.00 53.05 C ATOM 273 CD GLN A 18 -7.995 -10.449 34.054 1.00 62.42 C ATOM 274 OE1 GLN A 18 -8.696 -11.331 34.548 1.00 1.12 O ATOM 275 NE2 GLN A 18 -8.474 -9.535 33.219 1.00 14.32 N ATOM 0 H GLN A 18 -8.086 -11.810 36.649 1.00 21.14 H new ATOM 0 HA GLN A 18 -5.129 -11.725 36.478 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -7.088 -9.417 36.215 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -5.365 -9.385 35.899 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -6.057 -9.600 33.742 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -6.037 -11.306 34.143 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -7.855 -8.822 32.834 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -9.461 -9.546 32.963 1.00 14.32 H new ATOM 284 N ASP A 19 -5.053 -9.934 38.515 1.00 30.30 N ATOM 285 CA ASP A 19 -4.886 -9.448 39.883 1.00 31.15 C ATOM 286 C ASP A 19 -5.089 -7.934 39.970 1.00 54.34 C ATOM 287 O ASP A 19 -5.387 -7.402 41.038 1.00 62.12 O ATOM 288 CB ASP A 19 -3.497 -9.817 40.410 1.00 61.25 C ATOM 289 CG ASP A 19 -3.534 -10.313 41.843 1.00 4.21 C ATOM 290 OD1 ASP A 19 -4.152 -11.370 42.089 1.00 32.45 O ATOM 291 OD2 ASP A 19 -2.948 -9.644 42.718 1.00 63.02 O ATOM 0 H ASP A 19 -4.384 -9.552 37.846 1.00 30.30 H new ATOM 0 HA ASP A 19 -5.647 -9.927 40.499 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -3.063 -10.588 39.773 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.844 -8.946 40.347 1.00 61.25 H new ATOM 296 N PHE A 20 -4.921 -7.244 38.846 1.00 75.50 N ATOM 297 CA PHE A 20 -5.085 -5.796 38.807 1.00 61.11 C ATOM 298 C PHE A 20 -6.026 -5.380 37.681 1.00 11.10 C ATOM 299 O PHE A 20 -6.015 -5.968 36.602 1.00 10.14 O ATOM 300 CB PHE A 20 -3.725 -5.119 38.623 1.00 42.10 C ATOM 301 CG PHE A 20 -2.899 -5.732 37.529 1.00 20.33 C ATOM 302 CD1 PHE A 20 -2.076 -6.816 37.788 1.00 62.20 C ATOM 303 CD2 PHE A 20 -2.948 -5.225 36.240 1.00 53.11 C ATOM 304 CE1 PHE A 20 -1.317 -7.383 36.782 1.00 64.11 C ATOM 305 CE2 PHE A 20 -2.190 -5.788 35.230 1.00 13.12 C ATOM 306 CZ PHE A 20 -1.373 -6.868 35.502 1.00 51.01 C ATOM 0 H PHE A 20 -4.672 -7.665 37.951 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.522 -5.479 39.754 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -3.880 -4.063 38.403 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -3.171 -5.172 39.560 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -2.027 -7.222 38.787 1.00 62.20 H new ATOM 0 HD2 PHE A 20 -3.585 -4.381 36.022 1.00 53.11 H new ATOM 0 HE1 PHE A 20 -0.680 -8.229 36.997 1.00 64.11 H new ATOM 0 HE2 PHE A 20 -2.237 -5.384 34.230 1.00 13.12 H new ATOM 0 HZ PHE A 20 -0.779 -7.309 34.715 1.00 51.01 H new ATOM 316 N GLN A 21 -6.836 -4.357 37.939 1.00 15.34 N ATOM 317 CA GLN A 21 -7.779 -3.859 36.942 1.00 22.42 C ATOM 318 C GLN A 21 -7.036 -3.139 35.818 1.00 75.54 C ATOM 319 O GLN A 21 -6.290 -2.192 36.061 1.00 3.30 O ATOM 320 CB GLN A 21 -8.790 -2.915 37.597 1.00 41.11 C ATOM 321 CG GLN A 21 -10.039 -2.685 36.764 1.00 63.45 C ATOM 322 CD GLN A 21 -11.142 -2.001 37.551 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.750 -2.601 38.437 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.407 -0.740 37.228 1.00 51.02 N ATOM 0 H GLN A 21 -6.859 -3.858 38.828 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.315 -4.707 36.516 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -9.080 -3.323 38.565 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.308 -1.956 37.786 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.786 -2.077 35.895 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.403 -3.641 36.389 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -10.878 -0.281 36.486 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -12.140 -0.230 37.722 1.00 51.02 H new ATOM 333 N LEU A 22 -7.233 -3.606 34.588 1.00 10.45 N ATOM 334 CA LEU A 22 -6.567 -3.016 33.428 1.00 4.02 C ATOM 335 C LEU A 22 -7.351 -1.832 32.871 1.00 35.51 C ATOM 336 O LEU A 22 -6.766 -0.845 32.424 1.00 71.53 O ATOM 337 CB LEU A 22 -6.371 -4.073 32.341 1.00 12.14 C ATOM 338 CG LEU A 22 -5.239 -5.068 32.610 1.00 25.31 C ATOM 339 CD1 LEU A 22 -5.397 -5.698 33.984 1.00 12.30 C ATOM 340 CD2 LEU A 22 -5.203 -6.139 31.532 1.00 4.03 C ATOM 0 H LEU A 22 -7.847 -4.390 34.368 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.595 -2.648 33.755 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -7.302 -4.627 32.221 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -6.175 -3.569 31.395 1.00 12.14 H new ATOM 0 HG LEU A 22 -4.293 -4.527 32.588 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -4.583 -6.402 34.157 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -5.371 -4.919 34.746 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -6.350 -6.225 34.035 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -4.392 -6.837 31.740 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -6.151 -6.677 31.521 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -5.040 -5.672 30.561 1.00 4.03 H new ATOM 352 N TYR A 23 -8.674 -1.928 32.909 1.00 34.05 N ATOM 353 CA TYR A 23 -9.533 -0.853 32.416 1.00 23.50 C ATOM 354 C TYR A 23 -10.006 0.020 33.580 1.00 25.40 C ATOM 355 O TYR A 23 -9.814 -0.330 34.742 1.00 43.13 O ATOM 356 CB TYR A 23 -10.737 -1.426 31.666 1.00 63.45 C ATOM 357 CG TYR A 23 -10.849 -0.965 30.233 1.00 52.33 C ATOM 358 CD1 TYR A 23 -9.764 -1.020 29.372 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.052 -0.473 29.745 1.00 4.51 C ATOM 360 CE1 TYR A 23 -9.872 -0.596 28.061 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.169 -0.048 28.440 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.078 -0.111 27.600 1.00 12.35 C ATOM 363 OH TYR A 23 -11.191 0.314 26.296 1.00 2.05 O ATOM 0 H TYR A 23 -9.177 -2.736 33.275 1.00 34.05 H new ATOM 0 HA TYR A 23 -8.955 -0.240 31.725 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.677 -2.514 31.682 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -11.648 -1.149 32.197 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -8.819 -1.400 29.731 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -12.910 -0.423 30.399 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -9.018 -0.644 27.402 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.112 0.333 28.076 1.00 71.50 H new ATOM 0 HH TYR A 23 -11.873 -0.219 25.836 1.00 2.05 H new ATOM 373 N PRO A 24 -10.619 1.175 33.286 1.00 32.24 N ATOM 374 CA PRO A 24 -11.105 2.100 34.306 1.00 11.05 C ATOM 375 C PRO A 24 -12.571 1.872 34.668 1.00 1.33 C ATOM 376 O PRO A 24 -13.187 0.894 34.243 1.00 21.12 O ATOM 377 CB PRO A 24 -10.962 3.430 33.588 1.00 65.33 C ATOM 378 CG PRO A 24 -11.383 3.100 32.197 1.00 43.20 C ATOM 379 CD PRO A 24 -10.879 1.701 31.932 1.00 63.42 C ATOM 0 HA PRO A 24 -10.567 2.006 35.249 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -11.595 4.199 34.031 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -9.938 3.801 33.624 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -12.467 3.150 32.095 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -10.962 3.808 31.483 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.618 1.100 31.402 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -9.976 1.707 31.322 1.00 63.42 H new ATOM 387 N GLY A 25 -13.121 2.810 35.435 1.00 62.31 N ATOM 388 CA GLY A 25 -14.516 2.755 35.843 1.00 55.53 C ATOM 389 C GLY A 25 -15.023 1.363 36.165 1.00 61.45 C ATOM 390 O GLY A 25 -14.304 0.535 36.722 1.00 31.03 O ATOM 0 H GLY A 25 -12.614 3.622 35.787 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -14.650 3.389 36.720 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -15.131 3.177 35.048 1.00 55.53 H new ATOM 394 N GLU A 26 -16.283 1.124 35.816 1.00 34.32 N ATOM 395 CA GLU A 26 -16.930 -0.159 36.069 1.00 25.33 C ATOM 396 C GLU A 26 -16.559 -1.181 35.003 1.00 14.12 C ATOM 397 O GLU A 26 -16.428 -2.372 35.290 1.00 61.02 O ATOM 398 CB GLU A 26 -18.450 0.013 36.115 1.00 60.13 C ATOM 399 CG GLU A 26 -18.910 1.121 37.049 1.00 32.34 C ATOM 400 CD GLU A 26 -19.974 2.003 36.427 1.00 53.51 C ATOM 401 OE1 GLU A 26 -19.626 2.836 35.565 1.00 61.30 O ATOM 402 OE2 GLU A 26 -21.157 1.860 36.802 1.00 44.40 O ATOM 0 H GLU A 26 -16.881 1.809 35.353 1.00 34.32 H new ATOM 0 HA GLU A 26 -16.580 -0.526 37.034 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -18.814 0.223 35.109 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -18.904 -0.927 36.429 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -19.300 0.680 37.966 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -18.053 1.734 37.329 1.00 32.34 H new ATOM 409 N LEU A 27 -16.390 -0.717 33.770 1.00 43.20 N ATOM 410 CA LEU A 27 -16.035 -1.606 32.673 1.00 70.03 C ATOM 411 C LEU A 27 -14.768 -2.383 33.011 1.00 3.24 C ATOM 412 O LEU A 27 -14.717 -3.601 32.856 1.00 43.43 O ATOM 413 CB LEU A 27 -15.847 -0.818 31.377 1.00 42.54 C ATOM 414 CG LEU A 27 -16.706 -1.302 30.207 1.00 51.12 C ATOM 415 CD1 LEU A 27 -16.432 -0.471 28.966 1.00 14.22 C ATOM 416 CD2 LEU A 27 -16.451 -2.777 29.933 1.00 51.13 C ATOM 0 H LEU A 27 -16.492 0.263 33.507 1.00 43.20 H new ATOM 0 HA LEU A 27 -16.851 -2.314 32.527 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.075 0.231 31.568 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -14.798 -0.868 31.086 1.00 42.54 H new ATOM 0 HG LEU A 27 -17.755 -1.180 30.475 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -17.052 -0.829 28.144 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -16.667 0.574 29.169 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -15.380 -0.560 28.693 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -17.070 -3.104 29.098 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -15.400 -2.925 29.685 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -16.700 -3.360 30.820 1.00 51.13 H new ATOM 428 N GLY A 28 -13.753 -1.678 33.492 1.00 3.43 N ATOM 429 CA GLY A 28 -12.519 -2.339 33.861 1.00 70.33 C ATOM 430 C GLY A 28 -12.737 -3.357 34.954 1.00 53.45 C ATOM 431 O GLY A 28 -12.050 -4.377 35.010 1.00 64.53 O ATOM 0 H GLY A 28 -13.762 -0.668 33.632 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.093 -2.830 32.986 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -11.794 -1.597 34.194 1.00 70.33 H new ATOM 435 N LYS A 29 -13.709 -3.090 35.820 1.00 41.30 N ATOM 436 CA LYS A 29 -14.024 -4.006 36.906 1.00 11.31 C ATOM 437 C LYS A 29 -14.544 -5.329 36.350 1.00 74.12 C ATOM 438 O LYS A 29 -14.023 -6.396 36.675 1.00 50.10 O ATOM 439 CB LYS A 29 -15.058 -3.387 37.851 1.00 13.40 C ATOM 440 CG LYS A 29 -14.440 -2.597 38.993 1.00 74.43 C ATOM 441 CD LYS A 29 -15.494 -2.135 39.986 1.00 54.40 C ATOM 442 CE LYS A 29 -14.931 -1.111 40.958 1.00 33.14 C ATOM 443 NZ LYS A 29 -14.630 -1.712 42.287 1.00 73.52 N ATOM 0 H LYS A 29 -14.288 -2.251 35.790 1.00 41.30 H new ATOM 0 HA LYS A 29 -13.111 -4.197 37.470 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -15.714 -2.731 37.279 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -15.682 -4.180 38.264 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -13.702 -3.214 39.505 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -13.911 -1.732 38.594 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -16.338 -1.703 39.448 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -15.875 -2.993 40.540 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -14.022 -0.677 40.542 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -15.645 -0.297 41.081 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -14.248 -0.981 42.920 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -15.502 -2.104 42.696 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -13.929 -2.472 42.174 1.00 73.52 H new ATOM 457 N ARG A 30 -15.572 -5.251 35.505 1.00 14.42 N ATOM 458 CA ARG A 30 -16.165 -6.442 34.899 1.00 74.43 C ATOM 459 C ARG A 30 -15.131 -7.229 34.093 1.00 51.04 C ATOM 460 O ARG A 30 -15.124 -8.453 34.123 1.00 65.32 O ATOM 461 CB ARG A 30 -17.352 -6.066 34.009 1.00 42.34 C ATOM 462 CG ARG A 30 -17.032 -4.978 33.003 1.00 12.00 C ATOM 463 CD ARG A 30 -18.292 -4.378 32.401 1.00 64.35 C ATOM 464 NE ARG A 30 -19.138 -5.392 31.774 1.00 14.55 N ATOM 465 CZ ARG A 30 -19.941 -5.156 30.737 1.00 44.23 C ATOM 466 NH1 ARG A 30 -20.017 -3.941 30.203 1.00 71.24 N ATOM 467 NH2 ARG A 30 -20.674 -6.137 30.233 1.00 70.40 N ATOM 0 H ARG A 30 -16.011 -4.374 35.225 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.522 -7.078 35.709 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.692 -6.954 33.476 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.178 -5.736 34.639 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.452 -4.193 33.488 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.410 -5.389 32.208 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -18.857 -3.866 33.180 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -18.017 -3.627 31.660 1.00 64.35 H new ATOM 0 HE ARG A 30 -19.112 -6.338 32.154 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -19.458 -3.179 30.587 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -20.635 -3.770 29.409 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -20.623 -7.072 30.639 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -21.289 -5.958 29.439 1.00 70.40 H new ATOM 481 N ILE A 31 -14.258 -6.528 33.371 1.00 42.52 N ATOM 482 CA ILE A 31 -13.231 -7.200 32.574 1.00 44.44 C ATOM 483 C ILE A 31 -12.261 -7.934 33.485 1.00 73.55 C ATOM 484 O ILE A 31 -12.104 -9.152 33.402 1.00 62.43 O ATOM 485 CB ILE A 31 -12.434 -6.214 31.696 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.369 -5.400 30.806 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.420 -6.962 30.842 1.00 14.54 C ATOM 488 CD1 ILE A 31 -12.932 -3.967 30.634 1.00 24.11 C ATOM 0 H ILE A 31 -14.240 -5.509 33.321 1.00 42.52 H new ATOM 0 HA ILE A 31 -13.748 -7.902 31.919 1.00 44.44 H new ATOM 0 HB ILE A 31 -11.902 -5.528 32.356 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.431 -5.874 29.826 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.372 -5.418 31.232 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -10.866 -6.251 30.229 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -10.727 -7.501 31.488 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -11.940 -7.670 30.197 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -13.640 -3.445 29.990 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -12.898 -3.478 31.607 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -11.942 -3.941 30.180 1.00 24.11 H new ATOM 500 N TYR A 32 -11.619 -7.180 34.358 1.00 64.50 N ATOM 501 CA TYR A 32 -10.666 -7.742 35.298 1.00 23.32 C ATOM 502 C TYR A 32 -11.346 -8.763 36.213 1.00 71.21 C ATOM 503 O TYR A 32 -10.674 -9.577 36.849 1.00 4.24 O ATOM 504 CB TYR A 32 -10.014 -6.616 36.114 1.00 61.31 C ATOM 505 CG TYR A 32 -9.756 -6.956 37.564 1.00 14.12 C ATOM 506 CD1 TYR A 32 -8.578 -7.583 37.950 1.00 54.11 C ATOM 507 CD2 TYR A 32 -10.689 -6.648 38.546 1.00 20.14 C ATOM 508 CE1 TYR A 32 -8.337 -7.891 39.275 1.00 31.22 C ATOM 509 CE2 TYR A 32 -10.455 -6.953 39.873 1.00 50.43 C ATOM 510 CZ TYR A 32 -9.278 -7.574 40.233 1.00 75.01 C ATOM 511 OH TYR A 32 -9.041 -7.878 41.555 1.00 23.44 O ATOM 0 H TYR A 32 -11.741 -6.170 34.436 1.00 64.50 H new ATOM 0 HA TYR A 32 -9.887 -8.264 34.743 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.068 -6.346 35.644 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -10.655 -5.735 36.070 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -7.839 -7.833 37.203 1.00 54.11 H new ATOM 0 HD2 TYR A 32 -11.612 -6.162 38.268 1.00 20.14 H new ATOM 0 HE1 TYR A 32 -7.416 -8.378 39.560 1.00 31.22 H new ATOM 0 HE2 TYR A 32 -11.190 -6.706 40.624 1.00 50.43 H new ATOM 0 HH TYR A 32 -9.802 -7.587 42.099 1.00 23.44 H new ATOM 521 N ASN A 33 -12.675 -8.707 36.294 1.00 73.34 N ATOM 522 CA ASN A 33 -13.416 -9.629 37.159 1.00 54.32 C ATOM 523 C ASN A 33 -14.042 -10.796 36.390 1.00 71.34 C ATOM 524 O ASN A 33 -13.978 -11.942 36.834 1.00 44.01 O ATOM 525 CB ASN A 33 -14.504 -8.878 37.924 1.00 0.31 C ATOM 526 CG ASN A 33 -13.942 -8.043 39.059 1.00 15.51 C ATOM 527 OD1 ASN A 33 -12.952 -8.418 39.689 1.00 33.41 O ATOM 528 ND2 ASN A 33 -14.570 -6.904 39.325 1.00 61.25 N ATOM 0 H ASN A 33 -13.255 -8.044 35.780 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.692 -10.051 37.855 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -15.048 -8.231 37.235 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.223 -9.593 38.324 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -14.236 -6.301 40.077 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -15.387 -6.632 38.778 1.00 61.25 H new ATOM 535 N GLU A 34 -14.677 -10.500 35.260 1.00 11.44 N ATOM 536 CA GLU A 34 -15.347 -11.530 34.462 1.00 12.01 C ATOM 537 C GLU A 34 -14.523 -11.967 33.252 1.00 33.04 C ATOM 538 O GLU A 34 -14.769 -13.031 32.685 1.00 14.34 O ATOM 539 CB GLU A 34 -16.713 -11.026 33.995 1.00 14.34 C ATOM 540 CG GLU A 34 -17.632 -10.612 35.134 1.00 71.44 C ATOM 541 CD GLU A 34 -19.075 -10.463 34.693 1.00 43.43 C ATOM 542 OE1 GLU A 34 -19.604 -11.403 34.064 1.00 60.04 O ATOM 543 OE2 GLU A 34 -19.675 -9.405 34.977 1.00 51.51 O ATOM 0 H GLU A 34 -14.744 -9.558 34.874 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.467 -12.401 35.107 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.569 -10.176 33.329 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -17.200 -11.808 33.413 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -17.574 -11.354 35.931 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -17.284 -9.667 35.552 1.00 71.44 H new ATOM 550 N ILE A 35 -13.547 -11.159 32.856 1.00 41.23 N ATOM 551 CA ILE A 35 -12.703 -11.491 31.715 1.00 15.01 C ATOM 552 C ILE A 35 -11.292 -11.852 32.171 1.00 22.10 C ATOM 553 O ILE A 35 -10.646 -11.092 32.893 1.00 72.42 O ATOM 554 CB ILE A 35 -12.639 -10.330 30.692 1.00 65.24 C ATOM 555 CG1 ILE A 35 -14.032 -10.038 30.116 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.658 -10.653 29.567 1.00 51.33 C ATOM 557 CD1 ILE A 35 -14.845 -11.281 29.820 1.00 44.35 C ATOM 0 H ILE A 35 -13.321 -10.272 33.306 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.154 -12.354 31.225 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.286 -9.440 31.213 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.583 -9.415 30.820 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -13.921 -9.461 29.198 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -11.629 -9.824 28.860 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.663 -10.808 29.985 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -11.980 -11.558 29.052 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -15.816 -10.993 29.416 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.317 -11.896 29.092 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -14.988 -11.849 30.739 1.00 44.35 H new ATOM 569 N SER A 36 -10.824 -13.019 31.741 1.00 32.24 N ATOM 570 CA SER A 36 -9.492 -13.491 32.100 1.00 70.31 C ATOM 571 C SER A 36 -8.462 -13.038 31.070 1.00 1.11 C ATOM 572 O SER A 36 -8.811 -12.459 30.042 1.00 2.44 O ATOM 573 CB SER A 36 -9.485 -15.019 32.207 1.00 53.15 C ATOM 574 OG SER A 36 -8.742 -15.448 33.335 1.00 41.34 O ATOM 0 H SER A 36 -11.349 -13.656 31.142 1.00 32.24 H new ATOM 0 HA SER A 36 -9.227 -13.063 33.067 1.00 70.31 H new ATOM 0 HB2 SER A 36 -10.509 -15.386 32.281 1.00 53.15 H new ATOM 0 HB3 SER A 36 -9.057 -15.448 31.301 1.00 53.15 H new ATOM 0 HG SER A 36 -7.915 -15.880 33.037 1.00 41.34 H new ATOM 580 N LYS A 37 -7.192 -13.306 31.352 1.00 42.00 N ATOM 581 CA LYS A 37 -6.113 -12.923 30.448 1.00 52.25 C ATOM 582 C LYS A 37 -6.300 -13.564 29.077 1.00 52.31 C ATOM 583 O LYS A 37 -5.972 -12.968 28.051 1.00 14.05 O ATOM 584 CB LYS A 37 -4.760 -13.333 31.030 1.00 71.22 C ATOM 585 CG LYS A 37 -4.455 -12.687 32.372 1.00 2.54 C ATOM 586 CD LYS A 37 -2.998 -12.265 32.469 1.00 32.52 C ATOM 587 CE LYS A 37 -2.548 -12.136 33.916 1.00 55.32 C ATOM 588 NZ LYS A 37 -1.185 -11.552 34.022 1.00 43.10 N ATOM 0 H LYS A 37 -6.884 -13.786 32.198 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.139 -11.839 30.333 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.736 -14.417 31.144 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -3.974 -13.069 30.322 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -5.097 -11.817 32.513 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -4.686 -13.387 33.175 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -2.372 -12.995 31.956 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -2.860 -11.312 31.958 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -3.255 -11.511 34.462 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -2.560 -13.118 34.389 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -0.915 -11.481 35.024 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -0.506 -12.162 33.523 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -1.179 -10.604 33.593 1.00 43.10 H new ATOM 602 N GLU A 38 -6.828 -14.785 29.067 1.00 41.40 N ATOM 603 CA GLU A 38 -7.058 -15.510 27.824 1.00 54.20 C ATOM 604 C GLU A 38 -7.985 -14.728 26.897 1.00 31.43 C ATOM 605 O GLU A 38 -7.752 -14.652 25.692 1.00 60.21 O ATOM 606 CB GLU A 38 -7.653 -16.888 28.117 1.00 41.40 C ATOM 607 CG GLU A 38 -7.332 -17.926 27.054 1.00 62.41 C ATOM 608 CD GLU A 38 -5.874 -18.340 27.068 1.00 30.14 C ATOM 609 OE1 GLU A 38 -5.022 -17.527 26.651 1.00 72.33 O ATOM 610 OE2 GLU A 38 -5.583 -19.476 27.496 1.00 54.15 O ATOM 0 H GLU A 38 -7.104 -15.292 29.908 1.00 41.40 H new ATOM 0 HA GLU A 38 -6.098 -15.635 27.323 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -7.281 -17.238 29.080 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.735 -16.796 28.208 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -7.957 -18.805 27.209 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -7.583 -17.525 26.072 1.00 62.41 H new ATOM 617 N ALA A 39 -9.037 -14.149 27.470 1.00 51.41 N ATOM 618 CA ALA A 39 -9.997 -13.375 26.692 1.00 63.44 C ATOM 619 C ALA A 39 -9.467 -11.977 26.397 1.00 13.12 C ATOM 620 O ALA A 39 -9.558 -11.495 25.268 1.00 44.04 O ATOM 621 CB ALA A 39 -11.327 -13.292 27.424 1.00 12.31 C ATOM 0 H ALA A 39 -9.245 -14.201 28.467 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.149 -13.886 25.741 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -12.033 -12.711 26.831 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.722 -14.297 27.577 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.181 -12.809 28.390 1.00 12.31 H new ATOM 627 N TRP A 40 -8.913 -11.330 27.417 1.00 21.45 N ATOM 628 CA TRP A 40 -8.368 -9.987 27.260 1.00 64.40 C ATOM 629 C TRP A 40 -7.331 -9.954 26.145 1.00 11.24 C ATOM 630 O TRP A 40 -7.266 -8.995 25.378 1.00 3.30 O ATOM 631 CB TRP A 40 -7.743 -9.506 28.568 1.00 22.34 C ATOM 632 CG TRP A 40 -7.335 -8.063 28.537 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.064 -7.569 28.601 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.201 -6.928 28.437 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.087 -6.195 28.547 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.390 -5.778 28.451 1.00 22.04 C ATOM 637 CE3 TRP A 40 -9.585 -6.774 28.338 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -7.921 -4.489 28.371 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.111 -5.499 28.258 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.280 -4.371 28.275 1.00 72.40 C ATOM 0 H TRP A 40 -8.830 -11.713 28.359 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.187 -9.318 26.995 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.455 -9.657 29.380 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -6.869 -10.118 28.792 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.170 -8.170 28.682 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.269 -5.586 28.574 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.234 -7.637 28.324 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -7.282 -3.618 28.384 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.180 -5.370 28.181 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -9.722 -3.388 28.211 1.00 72.40 H new ATOM 651 N ALA A 41 -6.529 -11.012 26.055 1.00 22.20 N ATOM 652 CA ALA A 41 -5.503 -11.100 25.024 1.00 53.14 C ATOM 653 C ALA A 41 -6.133 -11.008 23.644 1.00 42.33 C ATOM 654 O ALA A 41 -5.598 -10.359 22.744 1.00 53.05 O ATOM 655 CB ALA A 41 -4.715 -12.395 25.172 1.00 23.01 C ATOM 0 H ALA A 41 -6.571 -11.816 26.681 1.00 22.20 H new ATOM 0 HA ALA A 41 -4.814 -10.264 25.142 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.952 -12.447 24.395 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.238 -12.421 26.152 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.390 -13.245 25.075 1.00 23.01 H new ATOM 661 N GLN A 42 -7.282 -11.652 23.490 1.00 45.32 N ATOM 662 CA GLN A 42 -8.006 -11.640 22.229 1.00 24.31 C ATOM 663 C GLN A 42 -8.560 -10.247 21.951 1.00 23.11 C ATOM 664 O GLN A 42 -8.707 -9.845 20.797 1.00 73.11 O ATOM 665 CB GLN A 42 -9.142 -12.663 22.275 1.00 64.34 C ATOM 666 CG GLN A 42 -8.704 -14.030 22.775 1.00 12.21 C ATOM 667 CD GLN A 42 -9.487 -15.163 22.138 1.00 5.23 C ATOM 668 OE1 GLN A 42 -10.240 -14.954 21.187 1.00 75.14 O ATOM 669 NE2 GLN A 42 -9.312 -16.372 22.660 1.00 44.42 N ATOM 0 H GLN A 42 -7.734 -12.192 24.228 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.321 -11.906 21.424 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -9.935 -12.285 22.920 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.567 -12.768 21.277 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.642 -14.166 22.568 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -8.826 -14.073 23.857 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -8.678 -16.500 23.449 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -9.812 -17.172 22.272 1.00 44.42 H new ATOM 678 N TRP A 43 -8.861 -9.513 23.020 1.00 55.12 N ATOM 679 CA TRP A 43 -9.391 -8.164 22.891 1.00 54.33 C ATOM 680 C TRP A 43 -8.300 -7.199 22.434 1.00 32.20 C ATOM 681 O TRP A 43 -8.491 -6.447 21.483 1.00 45.45 O ATOM 682 CB TRP A 43 -9.989 -7.686 24.221 1.00 21.24 C ATOM 683 CG TRP A 43 -10.131 -6.193 24.304 1.00 14.31 C ATOM 684 CD1 TRP A 43 -9.550 -5.364 25.219 1.00 42.10 C ATOM 685 CD2 TRP A 43 -10.890 -5.352 23.425 1.00 45.21 C ATOM 686 NE1 TRP A 43 -9.901 -4.062 24.966 1.00 3.05 N ATOM 687 CE2 TRP A 43 -10.724 -4.028 23.871 1.00 43.44 C ATOM 688 CE3 TRP A 43 -11.693 -5.591 22.305 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -11.332 -2.947 23.237 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.297 -4.517 21.677 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.113 -3.210 22.143 1.00 23.41 C ATOM 0 H TRP A 43 -8.746 -9.832 23.982 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.180 -8.183 22.140 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -10.968 -8.146 24.358 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.358 -8.030 25.040 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -8.907 -5.686 26.025 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -9.598 -3.251 25.505 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -11.839 -6.596 21.937 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -11.193 -1.938 23.595 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -12.921 -4.690 20.813 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -12.597 -2.392 21.629 1.00 23.41 H new ATOM 702 N GLN A 44 -7.156 -7.227 23.119 1.00 51.52 N ATOM 703 CA GLN A 44 -6.037 -6.349 22.778 1.00 3.30 C ATOM 704 C GLN A 44 -5.819 -6.312 21.266 1.00 74.45 C ATOM 705 O GLN A 44 -5.756 -5.241 20.660 1.00 32.54 O ATOM 706 CB GLN A 44 -4.757 -6.819 23.474 1.00 73.54 C ATOM 707 CG GLN A 44 -4.882 -6.923 24.985 1.00 4.42 C ATOM 708 CD GLN A 44 -5.334 -5.625 25.626 1.00 41.44 C ATOM 709 OE1 GLN A 44 -6.515 -5.274 25.580 1.00 2.02 O ATOM 710 NE2 GLN A 44 -4.397 -4.907 26.231 1.00 2.33 N ATOM 0 H GLN A 44 -6.981 -7.846 23.910 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.280 -5.344 23.122 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -4.474 -7.793 23.074 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -3.949 -6.129 23.232 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -5.592 -7.712 25.233 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -3.920 -7.215 25.406 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -3.432 -5.236 26.245 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -4.642 -4.026 26.683 1.00 2.33 H new ATOM 719 N HIS A 45 -5.711 -7.494 20.666 1.00 5.13 N ATOM 720 CA HIS A 45 -5.510 -7.610 19.227 1.00 12.51 C ATOM 721 C HIS A 45 -6.681 -6.985 18.470 1.00 52.13 C ATOM 722 O HIS A 45 -6.490 -6.148 17.589 1.00 22.04 O ATOM 723 CB HIS A 45 -5.349 -9.083 18.836 1.00 61.45 C ATOM 724 CG HIS A 45 -5.407 -9.333 17.359 1.00 44.53 C ATOM 725 ND1 HIS A 45 -4.309 -9.230 16.532 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.443 -9.683 16.560 1.00 31.41 C ATOM 727 CE1 HIS A 45 -4.664 -9.504 15.289 1.00 42.21 C ATOM 728 NE2 HIS A 45 -5.955 -9.783 15.280 1.00 45.21 N ATOM 0 H HIS A 45 -5.760 -8.387 21.157 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.601 -7.072 18.958 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.396 -9.447 19.218 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.131 -9.665 19.323 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.463 -9.852 16.871 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -4.011 -9.500 14.429 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -6.501 -10.032 14.456 1.00 45.21 H new ATOM 736 N LYS A 46 -7.894 -7.399 18.824 1.00 55.53 N ATOM 737 CA LYS A 46 -9.099 -6.883 18.184 1.00 40.11 C ATOM 738 C LYS A 46 -9.295 -5.401 18.496 1.00 73.41 C ATOM 739 O LYS A 46 -10.019 -4.700 17.791 1.00 51.20 O ATOM 740 CB LYS A 46 -10.324 -7.677 18.646 1.00 2.14 C ATOM 741 CG LYS A 46 -11.603 -7.307 17.911 1.00 34.23 C ATOM 742 CD LYS A 46 -11.783 -8.140 16.653 1.00 13.22 C ATOM 743 CE LYS A 46 -12.796 -7.511 15.709 1.00 12.15 C ATOM 744 NZ LYS A 46 -13.331 -8.499 14.733 1.00 74.13 N ATOM 0 H LYS A 46 -8.068 -8.092 19.552 1.00 55.53 H new ATOM 0 HA LYS A 46 -8.982 -6.995 17.106 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.130 -8.741 18.508 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.469 -7.516 19.714 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.458 -7.453 18.571 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.580 -6.249 17.648 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -10.825 -8.244 16.144 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -12.110 -9.144 16.924 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -13.618 -7.089 16.287 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -12.328 -6.686 15.172 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -14.018 -8.032 14.107 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -12.550 -8.883 14.164 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -13.800 -9.274 15.245 1.00 74.13 H new ATOM 758 N GLN A 47 -8.653 -4.931 19.557 1.00 52.34 N ATOM 759 CA GLN A 47 -8.764 -3.535 19.963 1.00 41.35 C ATOM 760 C GLN A 47 -7.897 -2.641 19.082 1.00 55.42 C ATOM 761 O GLN A 47 -8.388 -1.696 18.464 1.00 61.23 O ATOM 762 CB GLN A 47 -8.351 -3.384 21.429 1.00 50.34 C ATOM 763 CG GLN A 47 -8.405 -1.953 21.937 1.00 75.45 C ATOM 764 CD GLN A 47 -7.551 -1.738 23.171 1.00 54.04 C ATOM 765 OE1 GLN A 47 -6.324 -1.670 23.085 1.00 60.30 O ATOM 766 NE2 GLN A 47 -8.196 -1.630 24.326 1.00 24.34 N ATOM 0 H GLN A 47 -8.049 -5.496 20.153 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.803 -3.225 19.847 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -9.002 -4.003 22.046 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.337 -3.766 21.552 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -8.072 -1.279 21.148 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -9.438 -1.691 22.165 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -9.214 -1.693 24.350 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -7.674 -1.484 25.190 1.00 24.34 H new ATOM 775 N THR A 48 -6.605 -2.942 19.038 1.00 2.31 N ATOM 776 CA THR A 48 -5.659 -2.165 18.243 1.00 41.14 C ATOM 777 C THR A 48 -6.108 -2.051 16.788 1.00 32.32 C ATOM 778 O THR A 48 -5.889 -1.023 16.145 1.00 11.51 O ATOM 779 CB THR A 48 -4.268 -2.795 18.309 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.325 -2.001 17.611 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.217 -4.190 17.724 1.00 22.44 C ATOM 0 H THR A 48 -6.186 -3.721 19.545 1.00 2.31 H new ATOM 0 HA THR A 48 -5.622 -1.161 18.665 1.00 41.14 H new ATOM 0 HB THR A 48 -4.026 -2.854 19.370 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.441 -2.420 17.666 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.202 -4.580 17.802 1.00 22.44 H new ATOM 0 HG22 THR A 48 -4.899 -4.840 18.273 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.513 -4.156 16.676 1.00 22.44 H new ATOM 789 N MET A 49 -6.728 -3.107 16.267 1.00 63.31 N ATOM 790 CA MET A 49 -7.191 -3.110 14.884 1.00 24.21 C ATOM 791 C MET A 49 -8.481 -2.312 14.730 1.00 40.42 C ATOM 792 O MET A 49 -8.681 -1.624 13.728 1.00 5.35 O ATOM 793 CB MET A 49 -7.402 -4.542 14.392 1.00 25.43 C ATOM 794 CG MET A 49 -8.346 -5.351 15.262 1.00 13.45 C ATOM 795 SD MET A 49 -9.826 -5.887 14.380 1.00 74.20 S ATOM 796 CE MET A 49 -9.320 -7.511 13.818 1.00 41.13 C ATOM 0 H MET A 49 -6.920 -3.967 16.780 1.00 63.31 H new ATOM 0 HA MET A 49 -6.421 -2.635 14.277 1.00 24.21 H new ATOM 0 HB2 MET A 49 -7.793 -4.514 13.375 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.438 -5.048 14.349 1.00 25.43 H new ATOM 0 HG2 MET A 49 -7.820 -6.226 15.645 1.00 13.45 H new ATOM 0 HG3 MET A 49 -8.640 -4.753 16.125 1.00 13.45 H new ATOM 0 HE1 MET A 49 -10.156 -7.999 13.316 1.00 41.13 H new ATOM 0 HE2 MET A 49 -8.487 -7.412 13.122 1.00 41.13 H new ATOM 0 HE3 MET A 49 -9.009 -8.111 14.673 1.00 41.13 H new ATOM 806 N LEU A 50 -9.356 -2.403 15.727 1.00 10.12 N ATOM 807 CA LEU A 50 -10.624 -1.685 15.697 1.00 72.50 C ATOM 808 C LEU A 50 -10.392 -0.186 15.556 1.00 24.05 C ATOM 809 O LEU A 50 -11.179 0.518 14.932 1.00 31.33 O ATOM 810 CB LEU A 50 -11.431 -1.973 16.966 1.00 35.02 C ATOM 811 CG LEU A 50 -12.227 -3.278 16.946 1.00 62.32 C ATOM 812 CD1 LEU A 50 -12.653 -3.670 18.355 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.439 -3.144 16.037 1.00 64.03 C ATOM 0 H LEU A 50 -9.210 -2.967 16.565 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.190 -2.032 14.832 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.748 -1.995 17.815 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -12.122 -1.147 17.134 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.586 -4.067 16.553 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.218 -4.601 18.318 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -11.769 -3.806 18.978 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.277 -2.883 18.779 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -13.996 -4.081 16.033 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -14.081 -2.342 16.402 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -13.110 -2.913 15.024 1.00 64.03 H new ATOM 825 N ILE A 51 -9.302 0.290 16.142 1.00 21.21 N ATOM 826 CA ILE A 51 -8.959 1.705 16.086 1.00 51.32 C ATOM 827 C ILE A 51 -8.444 2.095 14.705 1.00 51.43 C ATOM 828 O ILE A 51 -8.827 3.129 14.158 1.00 23.00 O ATOM 829 CB ILE A 51 -7.902 2.054 17.153 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.427 1.682 18.541 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.528 3.531 17.093 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.447 1.962 19.653 1.00 32.24 C ATOM 0 H ILE A 51 -8.639 -0.284 16.663 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.869 2.270 16.289 1.00 51.32 H new ATOM 0 HB ILE A 51 -6.999 1.479 16.950 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.347 2.234 18.732 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -8.682 0.622 18.552 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.781 3.748 17.856 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -7.120 3.763 16.109 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.415 4.139 17.270 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -7.887 1.673 20.607 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -6.535 1.389 19.487 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.210 3.026 19.670 1.00 32.24 H new ATOM 844 N ASN A 52 -7.577 1.261 14.146 1.00 53.30 N ATOM 845 CA ASN A 52 -7.013 1.519 12.829 1.00 52.52 C ATOM 846 C ASN A 52 -8.053 1.297 11.735 1.00 23.31 C ATOM 847 O ASN A 52 -7.992 1.916 10.672 1.00 63.50 O ATOM 848 CB ASN A 52 -5.808 0.612 12.591 1.00 74.33 C ATOM 849 CG ASN A 52 -4.525 1.193 13.153 1.00 12.23 C ATOM 850 OD1 ASN A 52 -4.282 2.396 13.061 1.00 63.13 O ATOM 851 ND2 ASN A 52 -3.695 0.337 13.738 1.00 75.53 N ATOM 0 H ASN A 52 -7.249 0.400 14.585 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.695 2.561 12.793 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -5.993 -0.360 13.047 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.689 0.444 11.521 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -2.815 0.669 14.134 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -3.937 -0.652 13.792 1.00 75.53 H new ATOM 858 N GLU A 53 -9.006 0.409 11.998 1.00 22.35 N ATOM 859 CA GLU A 53 -10.056 0.104 11.031 1.00 2.12 C ATOM 860 C GLU A 53 -11.214 1.093 11.138 1.00 0.01 C ATOM 861 O GLU A 53 -11.613 1.702 10.147 1.00 44.44 O ATOM 862 CB GLU A 53 -10.567 -1.324 11.236 1.00 54.44 C ATOM 863 CG GLU A 53 -10.812 -2.074 9.938 1.00 72.53 C ATOM 864 CD GLU A 53 -10.898 -3.574 10.137 1.00 60.14 C ATOM 865 OE1 GLU A 53 -11.822 -4.027 10.846 1.00 3.25 O ATOM 866 OE2 GLU A 53 -10.044 -4.296 9.582 1.00 64.12 O ATOM 0 H GLU A 53 -9.073 -0.112 12.872 1.00 22.35 H new ATOM 0 HA GLU A 53 -9.626 0.192 10.033 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.844 -1.877 11.835 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -11.495 -1.291 11.807 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -11.738 -1.718 9.486 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -10.008 -1.850 9.236 1.00 72.53 H new ATOM 873 N LYS A 54 -11.758 1.243 12.346 1.00 2.21 N ATOM 874 CA LYS A 54 -12.879 2.154 12.570 1.00 51.31 C ATOM 875 C LYS A 54 -12.417 3.611 12.598 1.00 13.10 C ATOM 876 O LYS A 54 -13.235 4.523 12.730 1.00 20.24 O ATOM 877 CB LYS A 54 -13.600 1.812 13.877 1.00 24.31 C ATOM 878 CG LYS A 54 -14.501 0.589 13.782 1.00 71.11 C ATOM 879 CD LYS A 54 -13.701 -0.705 13.733 1.00 44.52 C ATOM 880 CE LYS A 54 -14.495 -1.828 13.085 1.00 52.22 C ATOM 881 NZ LYS A 54 -13.619 -2.948 12.639 1.00 54.31 N ATOM 0 H LYS A 54 -11.442 0.748 13.180 1.00 2.21 H new ATOM 0 HA LYS A 54 -13.572 2.031 11.738 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.857 1.644 14.657 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -14.199 2.669 14.185 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -15.174 0.567 14.639 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -15.123 0.665 12.890 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.778 -0.542 13.176 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -13.416 -0.996 14.744 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -15.233 -2.205 13.793 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -15.045 -1.436 12.230 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -13.544 -2.938 11.602 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -12.673 -2.836 13.055 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -14.028 -3.853 12.948 1.00 54.31 H new ATOM 895 N LYS A 55 -11.111 3.827 12.467 1.00 43.42 N ATOM 896 CA LYS A 55 -10.551 5.174 12.471 1.00 74.11 C ATOM 897 C LYS A 55 -10.783 5.869 13.809 1.00 31.21 C ATOM 898 O LYS A 55 -11.308 6.982 13.858 1.00 5.25 O ATOM 899 CB LYS A 55 -11.155 6.006 11.338 1.00 72.23 C ATOM 900 CG LYS A 55 -10.571 5.691 9.971 1.00 12.00 C ATOM 901 CD LYS A 55 -9.534 6.723 9.557 1.00 1.15 C ATOM 902 CE LYS A 55 -9.248 6.658 8.066 1.00 24.22 C ATOM 903 NZ LYS A 55 -9.894 7.777 7.325 1.00 61.25 N ATOM 0 H LYS A 55 -10.420 3.085 12.357 1.00 43.42 H new ATOM 0 HA LYS A 55 -9.476 5.086 12.316 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -12.232 5.839 11.311 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -11.002 7.063 11.554 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -10.114 4.701 9.989 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -11.371 5.660 9.231 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -9.888 7.721 9.818 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -8.611 6.557 10.113 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -8.171 6.688 7.902 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -9.604 5.707 7.670 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -9.674 7.695 6.312 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -10.924 7.734 7.460 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -9.535 8.684 7.685 1.00 61.25 H new ATOM 917 N LEU A 56 -10.376 5.216 14.893 1.00 30.41 N ATOM 918 CA LEU A 56 -10.532 5.787 16.224 1.00 52.41 C ATOM 919 C LEU A 56 -9.314 6.636 16.580 1.00 51.14 C ATOM 920 O LEU A 56 -8.341 6.683 15.825 1.00 44.51 O ATOM 921 CB LEU A 56 -10.733 4.673 17.257 1.00 75.54 C ATOM 922 CG LEU A 56 -12.020 3.854 17.093 1.00 34.35 C ATOM 923 CD1 LEU A 56 -12.163 2.856 18.229 1.00 32.03 C ATOM 924 CD2 LEU A 56 -13.241 4.765 17.030 1.00 14.14 C ATOM 0 H LEU A 56 -9.938 4.295 14.875 1.00 30.41 H new ATOM 0 HA LEU A 56 -11.413 6.428 16.231 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.881 3.995 17.207 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.729 5.117 18.252 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.955 3.306 16.153 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -13.081 2.284 18.097 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.309 2.178 18.227 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -12.201 3.389 19.179 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -14.140 4.160 16.914 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.310 5.345 17.950 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -13.146 5.442 16.181 1.00 14.14 H new ATOM 936 N ASN A 57 -9.367 7.305 17.727 1.00 32.03 N ATOM 937 CA ASN A 57 -8.264 8.153 18.169 1.00 20.43 C ATOM 938 C ASN A 57 -8.203 8.206 19.694 1.00 1.23 C ATOM 939 O ASN A 57 -9.020 8.864 20.338 1.00 1.02 O ATOM 940 CB ASN A 57 -8.419 9.566 17.603 1.00 15.31 C ATOM 941 CG ASN A 57 -7.624 9.771 16.327 1.00 61.42 C ATOM 942 OD1 ASN A 57 -7.788 9.034 15.355 1.00 54.21 O ATOM 943 ND2 ASN A 57 -6.757 10.777 16.325 1.00 70.12 N ATOM 0 H ASN A 57 -10.161 7.277 18.367 1.00 32.03 H new ATOM 0 HA ASN A 57 -7.334 7.723 17.798 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -9.473 9.761 17.406 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -8.095 10.291 18.350 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -6.194 10.964 15.495 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -6.654 11.363 17.154 1.00 70.12 H new ATOM 950 N MET A 58 -7.231 7.500 20.262 1.00 5.10 N ATOM 951 CA MET A 58 -7.058 7.453 21.711 1.00 4.22 C ATOM 952 C MET A 58 -6.907 8.853 22.297 1.00 4.32 C ATOM 953 O MET A 58 -7.168 9.070 23.481 1.00 31.45 O ATOM 954 CB MET A 58 -5.843 6.597 22.084 1.00 30.22 C ATOM 955 CG MET A 58 -4.654 6.774 21.148 1.00 34.55 C ATOM 956 SD MET A 58 -4.231 5.258 20.267 1.00 24.45 S ATOM 957 CE MET A 58 -5.816 4.819 19.560 1.00 24.34 C ATOM 0 H MET A 58 -6.549 6.951 19.740 1.00 5.10 H new ATOM 0 HA MET A 58 -7.954 6.999 22.134 1.00 4.22 H new ATOM 0 HB2 MET A 58 -5.534 6.845 23.099 1.00 30.22 H new ATOM 0 HB3 MET A 58 -6.137 5.547 22.088 1.00 30.22 H new ATOM 0 HG2 MET A 58 -4.879 7.559 20.426 1.00 34.55 H new ATOM 0 HG3 MET A 58 -3.791 7.108 21.723 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.741 3.846 19.074 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.566 4.774 20.349 1.00 24.34 H new ATOM 0 HE3 MET A 58 -6.107 5.570 18.825 1.00 24.34 H new ATOM 967 N MET A 59 -6.493 9.803 21.465 1.00 1.01 N ATOM 968 CA MET A 59 -6.317 11.180 21.910 1.00 74.53 C ATOM 969 C MET A 59 -7.656 11.918 21.964 1.00 71.54 C ATOM 970 O MET A 59 -7.709 13.098 22.313 1.00 44.32 O ATOM 971 CB MET A 59 -5.350 11.916 20.980 1.00 2.02 C ATOM 972 CG MET A 59 -4.456 12.914 21.701 1.00 24.22 C ATOM 973 SD MET A 59 -4.710 14.611 21.146 1.00 11.43 S ATOM 974 CE MET A 59 -3.726 15.507 22.346 1.00 3.04 C ATOM 0 H MET A 59 -6.274 9.645 20.481 1.00 1.01 H new ATOM 0 HA MET A 59 -5.899 11.158 22.917 1.00 74.53 H new ATOM 0 HB2 MET A 59 -4.725 11.185 20.467 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.922 12.440 20.214 1.00 2.02 H new ATOM 0 HG2 MET A 59 -4.645 12.855 22.773 1.00 24.22 H new ATOM 0 HG3 MET A 59 -3.413 12.638 21.546 1.00 24.22 H new ATOM 0 HE1 MET A 59 -3.781 16.575 22.137 1.00 3.04 H new ATOM 0 HE2 MET A 59 -4.109 15.313 23.348 1.00 3.04 H new ATOM 0 HE3 MET A 59 -2.689 15.178 22.284 1.00 3.04 H new ATOM 984 N ASN A 60 -8.735 11.218 21.621 1.00 72.24 N ATOM 985 CA ASN A 60 -10.068 11.805 21.637 1.00 13.25 C ATOM 986 C ASN A 60 -10.975 11.059 22.612 1.00 2.34 C ATOM 987 O ASN A 60 -10.963 9.830 22.665 1.00 73.54 O ATOM 988 CB ASN A 60 -10.672 11.779 20.233 1.00 54.23 C ATOM 989 CG ASN A 60 -11.600 12.951 19.981 1.00 60.15 C ATOM 990 OD1 ASN A 60 -12.900 12.709 20.096 1.00 45.25 O flip ATOM 991 ND2 ASN A 60 -11.153 14.060 19.687 1.00 43.22 N flip ATOM 0 H ASN A 60 -8.709 10.241 21.328 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.983 12.840 21.968 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.870 11.789 19.495 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -11.221 10.848 20.094 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -10.146 14.200 19.610 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -11.790 14.839 19.521 1.00 43.22 H new ATOM 998 N ALA A 61 -11.754 11.810 23.383 1.00 10.14 N ATOM 999 CA ALA A 61 -12.661 11.218 24.359 1.00 75.00 C ATOM 1000 C ALA A 61 -13.837 10.522 23.677 1.00 54.22 C ATOM 1001 O ALA A 61 -14.303 9.479 24.134 1.00 53.14 O ATOM 1002 CB ALA A 61 -13.165 12.283 25.321 1.00 34.33 C ATOM 0 H ALA A 61 -11.775 12.829 23.351 1.00 10.14 H new ATOM 0 HA ALA A 61 -12.106 10.465 24.919 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -13.841 11.829 26.045 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -12.320 12.730 25.845 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -13.696 13.055 24.764 1.00 34.33 H new ATOM 1008 N GLU A 62 -14.316 11.110 22.585 1.00 55.43 N ATOM 1009 CA GLU A 62 -15.442 10.548 21.847 1.00 72.21 C ATOM 1010 C GLU A 62 -15.112 9.160 21.307 1.00 14.54 C ATOM 1011 O GLU A 62 -15.975 8.286 21.248 1.00 50.50 O ATOM 1012 CB GLU A 62 -15.838 11.474 20.696 1.00 2.31 C ATOM 1013 CG GLU A 62 -17.151 11.091 20.034 1.00 22.12 C ATOM 1014 CD GLU A 62 -18.221 12.154 20.197 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -18.653 12.388 21.346 1.00 50.21 O ATOM 1016 OE2 GLU A 62 -18.625 12.752 19.178 1.00 1.12 O ATOM 0 H GLU A 62 -13.943 11.974 22.192 1.00 55.43 H new ATOM 0 HA GLU A 62 -16.280 10.455 22.538 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -15.913 12.495 21.071 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -15.047 11.467 19.946 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -16.980 10.914 18.972 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -17.508 10.153 20.460 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.858 8.960 20.914 1.00 50.11 N ATOM 1024 CA HIS A 63 -13.422 7.673 20.381 1.00 60.41 C ATOM 1025 C HIS A 63 -13.021 6.722 21.504 1.00 12.50 C ATOM 1026 O HIS A 63 -13.309 5.527 21.451 1.00 40.22 O ATOM 1027 CB HIS A 63 -12.253 7.858 19.415 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.647 8.454 18.101 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.760 8.643 17.062 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.844 8.902 17.654 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -12.391 9.180 16.034 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.658 9.347 16.368 1.00 33.54 N ATOM 0 H HIS A 63 -13.127 9.670 20.954 1.00 50.11 H new ATOM 0 HA HIS A 63 -14.262 7.236 19.841 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.504 8.496 19.883 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.782 6.891 19.239 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.772 8.908 18.206 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.948 9.438 15.084 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -14.382 9.743 15.768 1.00 33.54 H new ATOM 1040 N ARG A 64 -12.353 7.263 22.520 1.00 13.31 N ATOM 1041 CA ARG A 64 -11.909 6.461 23.657 1.00 25.03 C ATOM 1042 C ARG A 64 -13.057 5.615 24.204 1.00 71.40 C ATOM 1043 O ARG A 64 -12.927 4.401 24.363 1.00 61.24 O ATOM 1044 CB ARG A 64 -11.364 7.367 24.763 1.00 40.44 C ATOM 1045 CG ARG A 64 -10.126 6.812 25.449 1.00 33.11 C ATOM 1046 CD ARG A 64 -8.907 6.902 24.546 1.00 61.24 C ATOM 1047 NE ARG A 64 -8.152 5.650 24.516 1.00 14.00 N ATOM 1048 CZ ARG A 64 -6.955 5.482 25.079 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -6.365 6.481 25.726 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -6.345 4.308 24.997 1.00 33.54 N ATOM 0 H ARG A 64 -12.108 8.251 22.579 1.00 13.31 H new ATOM 0 HA ARG A 64 -11.117 5.796 23.314 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -11.127 8.343 24.338 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -12.143 7.524 25.509 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -9.940 7.364 26.370 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -10.298 5.773 25.729 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -9.223 7.159 23.535 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -8.259 7.708 24.891 1.00 61.24 H new ATOM 0 HE ARG A 64 -8.568 4.854 24.033 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -6.828 7.387 25.796 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -5.449 6.342 26.153 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -6.791 3.535 24.504 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -5.429 4.178 25.427 1.00 33.54 H new ATOM 1064 N LYS A 65 -14.180 6.266 24.487 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.352 5.578 25.013 1.00 31.33 C ATOM 1066 C LYS A 65 -15.898 4.582 23.995 1.00 61.24 C ATOM 1067 O LYS A 65 -16.490 3.567 24.363 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.438 6.587 25.391 1.00 52.43 C ATOM 1069 CG LYS A 65 -16.912 7.438 24.224 1.00 2.34 C ATOM 1070 CD LYS A 65 -18.342 7.917 24.423 1.00 51.14 C ATOM 1071 CE LYS A 65 -18.395 9.400 24.756 1.00 42.14 C ATOM 1072 NZ LYS A 65 -19.757 9.967 24.558 1.00 60.30 N ATOM 0 H LYS A 65 -14.303 7.271 24.361 1.00 13.21 H new ATOM 0 HA LYS A 65 -15.051 5.031 25.906 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.290 6.051 25.809 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -16.057 7.241 26.175 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.252 8.298 24.109 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -16.846 6.861 23.302 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -18.919 7.726 23.518 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -18.809 7.346 25.226 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -18.086 9.551 25.790 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -17.684 9.938 24.130 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -19.750 10.979 24.796 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -20.042 9.847 23.565 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -20.432 9.472 25.174 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.696 4.875 22.713 1.00 15.23 N ATOM 1087 CA LEU A 66 -16.169 4.000 21.649 1.00 65.44 C ATOM 1088 C LEU A 66 -15.528 2.621 21.757 1.00 64.34 C ATOM 1089 O LEU A 66 -16.210 1.601 21.666 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.871 4.611 20.280 1.00 3.13 C ATOM 1091 CG LEU A 66 -16.930 4.338 19.207 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -17.650 5.622 18.828 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -16.297 3.694 17.981 1.00 64.02 C ATOM 0 H LEU A 66 -15.209 5.710 22.388 1.00 15.23 H new ATOM 0 HA LEU A 66 -17.248 3.890 21.757 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.762 5.689 20.396 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.912 4.229 19.929 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.663 3.643 19.617 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -18.398 5.408 18.065 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -18.139 6.039 19.709 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -16.930 6.342 18.438 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -17.065 3.508 17.230 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -15.541 4.362 17.569 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.831 2.750 18.265 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.213 2.594 21.959 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.490 1.334 22.087 1.00 22.20 C ATOM 1107 C LEU A 67 -14.030 0.534 23.264 1.00 1.33 C ATOM 1108 O LEU A 67 -14.256 -0.671 23.160 1.00 4.11 O ATOM 1109 CB LEU A 67 -11.990 1.584 22.278 1.00 1.32 C ATOM 1110 CG LEU A 67 -11.097 1.276 21.069 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -9.683 0.979 21.532 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -11.638 0.105 20.259 1.00 25.32 C ATOM 0 H LEU A 67 -13.629 3.427 22.037 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.635 0.765 21.169 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -11.848 2.629 22.552 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -11.646 0.984 23.121 1.00 1.32 H new ATOM 0 HG LEU A 67 -11.091 2.154 20.423 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -9.055 0.761 20.668 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -9.284 1.844 22.061 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -9.692 0.118 22.200 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -10.981 -0.085 19.411 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -11.683 -0.783 20.889 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -12.638 0.344 19.897 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.250 1.220 24.382 1.00 45.01 N ATOM 1125 CA GLU A 68 -14.779 0.582 25.574 1.00 31.11 C ATOM 1126 C GLU A 68 -16.111 -0.093 25.253 1.00 33.44 C ATOM 1127 O GLU A 68 -16.527 -1.031 25.932 1.00 63.34 O ATOM 1128 CB GLU A 68 -14.952 1.623 26.677 1.00 31.53 C ATOM 1129 CG GLU A 68 -13.699 2.441 26.940 1.00 52.31 C ATOM 1130 CD GLU A 68 -13.644 2.988 28.353 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -13.995 2.243 29.291 1.00 41.25 O ATOM 1132 OE2 GLU A 68 -13.250 4.162 28.522 1.00 60.33 O ATOM 0 H GLU A 68 -14.069 2.219 24.483 1.00 45.01 H new ATOM 0 HA GLU A 68 -14.082 -0.181 25.921 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -15.766 2.296 26.406 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -15.248 1.120 27.598 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -12.821 1.821 26.760 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -13.655 3.269 26.232 1.00 52.31 H new ATOM 1139 N GLN A 69 -16.764 0.395 24.200 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.040 -0.150 23.758 1.00 31.33 C ATOM 1141 C GLN A 69 -17.828 -1.435 22.963 1.00 54.04 C ATOM 1142 O GLN A 69 -18.500 -2.441 23.197 1.00 73.31 O ATOM 1143 CB GLN A 69 -18.775 0.879 22.895 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.288 0.814 23.026 1.00 52.05 C ATOM 1145 CD GLN A 69 -20.963 0.265 21.783 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -21.292 1.011 20.860 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -21.174 -1.047 21.753 1.00 70.13 N ATOM 0 H GLN A 69 -16.424 1.173 23.635 1.00 45.54 H new ATOM 0 HA GLN A 69 -18.642 -0.380 24.637 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -18.438 1.878 23.170 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.502 0.726 21.851 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.548 0.189 23.881 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.673 1.813 23.232 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -20.885 -1.628 22.540 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -21.625 -1.473 20.943 1.00 70.13 H new ATOM 1156 N GLU A 70 -16.893 -1.388 22.020 1.00 3.11 N ATOM 1157 CA GLU A 70 -16.588 -2.541 21.178 1.00 33.15 C ATOM 1158 C GLU A 70 -16.123 -3.729 22.016 1.00 4.01 C ATOM 1159 O GLU A 70 -16.529 -4.865 21.772 1.00 44.01 O ATOM 1160 CB GLU A 70 -15.514 -2.178 20.150 1.00 60.04 C ATOM 1161 CG GLU A 70 -15.779 -0.868 19.423 1.00 12.23 C ATOM 1162 CD GLU A 70 -16.341 -1.076 18.030 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -15.946 -2.060 17.371 1.00 42.42 O ATOM 1164 OE2 GLU A 70 -17.175 -0.254 17.599 1.00 22.20 O ATOM 0 H GLU A 70 -16.331 -0.561 21.819 1.00 3.11 H new ATOM 0 HA GLU A 70 -17.502 -2.826 20.658 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -14.549 -2.115 20.653 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -15.439 -2.981 19.417 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -16.477 -0.268 20.006 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -14.851 -0.301 19.355 1.00 12.23 H new ATOM 1171 N MET A 71 -15.264 -3.461 22.997 1.00 72.11 N ATOM 1172 CA MET A 71 -14.741 -4.517 23.861 1.00 42.11 C ATOM 1173 C MET A 71 -15.862 -5.422 24.377 1.00 0.22 C ATOM 1174 O MET A 71 -15.676 -6.631 24.514 1.00 15.12 O ATOM 1175 CB MET A 71 -13.936 -3.912 25.018 1.00 44.14 C ATOM 1176 CG MET A 71 -14.753 -3.611 26.265 1.00 2.34 C ATOM 1177 SD MET A 71 -13.965 -2.384 27.321 1.00 23.31 S ATOM 1178 CE MET A 71 -12.380 -3.158 27.616 1.00 23.35 C ATOM 0 H MET A 71 -14.917 -2.527 23.213 1.00 72.11 H new ATOM 0 HA MET A 71 -14.071 -5.140 23.268 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.132 -4.599 25.283 1.00 44.14 H new ATOM 0 HB3 MET A 71 -13.467 -2.990 24.675 1.00 44.14 H new ATOM 0 HG2 MET A 71 -15.740 -3.254 25.972 1.00 2.34 H new ATOM 0 HG3 MET A 71 -14.901 -4.531 26.830 1.00 2.34 H new ATOM 0 HE1 MET A 71 -11.948 -2.763 28.535 1.00 23.35 H new ATOM 0 HE2 MET A 71 -12.513 -4.236 27.711 1.00 23.35 H new ATOM 0 HE3 MET A 71 -11.711 -2.948 26.781 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.030 -4.838 24.642 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.173 -5.617 25.117 1.00 11.44 C ATOM 1190 C VAL A 72 -18.589 -6.622 24.056 1.00 55.10 C ATOM 1191 O VAL A 72 -18.605 -7.827 24.294 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.382 -4.720 25.459 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -20.592 -5.556 25.868 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.018 -3.733 26.553 1.00 54.21 C ATOM 0 H VAL A 72 -17.209 -3.839 24.537 1.00 73.42 H new ATOM 0 HA VAL A 72 -17.861 -6.130 26.026 1.00 11.44 H new ATOM 0 HB VAL A 72 -19.651 -4.161 24.563 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.427 -4.896 26.103 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -20.871 -6.217 25.048 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.343 -6.152 26.746 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -19.882 -3.109 26.782 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -18.716 -4.277 27.448 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.194 -3.104 26.216 1.00 54.21 H new ATOM 1204 N ASN A 73 -18.921 -6.114 22.877 1.00 64.34 N ATOM 1205 CA ASN A 73 -19.335 -6.958 21.762 1.00 33.53 C ATOM 1206 C ASN A 73 -18.350 -8.106 21.539 1.00 45.13 C ATOM 1207 O ASN A 73 -18.693 -9.118 20.928 1.00 11.01 O ATOM 1208 CB ASN A 73 -19.456 -6.118 20.488 1.00 64.34 C ATOM 1209 CG ASN A 73 -20.274 -6.805 19.412 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -21.366 -7.310 19.674 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -19.748 -6.823 18.193 1.00 43.31 N ATOM 0 H ASN A 73 -18.912 -5.116 22.666 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.306 -7.389 22.006 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -19.915 -5.160 20.731 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -18.459 -5.905 20.101 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -20.252 -7.268 17.426 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -18.840 -6.391 18.023 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.123 -7.937 22.027 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.094 -8.954 21.870 1.00 43.41 C ATOM 1220 C PHE A 74 -16.003 -9.867 23.095 1.00 53.44 C ATOM 1221 O PHE A 74 -15.962 -11.090 22.961 1.00 24.31 O ATOM 1222 CB PHE A 74 -14.739 -8.291 21.620 1.00 54.04 C ATOM 1223 CG PHE A 74 -13.711 -9.222 21.042 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -13.713 -9.523 19.689 1.00 73.25 C ATOM 1225 CD2 PHE A 74 -12.742 -9.790 21.850 1.00 23.30 C ATOM 1226 CE1 PHE A 74 -12.766 -10.377 19.154 1.00 32.35 C ATOM 1227 CE2 PHE A 74 -11.793 -10.644 21.322 1.00 1.20 C ATOM 1228 CZ PHE A 74 -11.806 -10.938 19.972 1.00 14.42 C ATOM 0 H PHE A 74 -16.820 -7.105 22.534 1.00 74.22 H new ATOM 0 HA PHE A 74 -16.368 -9.570 21.014 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -14.876 -7.448 20.942 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -14.363 -7.886 22.560 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -14.462 -9.086 19.046 1.00 73.25 H new ATOM 0 HD2 PHE A 74 -12.727 -9.563 22.906 1.00 23.30 H new ATOM 0 HE1 PHE A 74 -12.777 -10.605 18.098 1.00 32.35 H new ATOM 0 HE2 PHE A 74 -11.042 -11.081 21.963 1.00 1.20 H new ATOM 0 HZ PHE A 74 -11.066 -11.606 19.557 1.00 14.42 H new ATOM 1238 N LEU A 75 -15.938 -9.270 24.284 1.00 52.12 N ATOM 1239 CA LEU A 75 -15.813 -10.043 25.522 1.00 13.42 C ATOM 1240 C LEU A 75 -17.128 -10.141 26.301 1.00 31.53 C ATOM 1241 O LEU A 75 -17.439 -11.186 26.870 1.00 14.55 O ATOM 1242 CB LEU A 75 -14.739 -9.422 26.419 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.482 -8.934 25.692 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.111 -7.530 26.147 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.321 -9.895 25.921 1.00 74.13 C ATOM 0 H LEU A 75 -15.969 -8.259 24.418 1.00 52.12 H new ATOM 0 HA LEU A 75 -15.531 -11.055 25.232 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.178 -8.581 26.955 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.444 -10.158 27.167 1.00 43.21 H new ATOM 0 HG LEU A 75 -13.696 -8.904 24.624 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.216 -7.201 25.619 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -13.932 -6.848 25.928 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -12.919 -7.534 27.220 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.438 -9.530 25.396 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.108 -9.960 26.988 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -12.586 -10.882 25.543 1.00 74.13 H new ATOM 1257 N PHE A 76 -17.884 -9.049 26.343 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.151 -9.020 27.079 1.00 61.03 C ATOM 1259 C PHE A 76 -20.352 -9.052 26.150 1.00 53.21 C ATOM 1260 O PHE A 76 -21.412 -8.518 26.472 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.233 -7.768 27.922 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.174 -7.689 28.968 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -16.945 -7.133 28.673 1.00 2.43 C ATOM 1264 CD2 PHE A 76 -18.403 -8.179 30.242 1.00 44.41 C ATOM 1265 CE1 PHE A 76 -15.959 -7.064 29.631 1.00 14.30 C ATOM 1266 CE2 PHE A 76 -17.419 -8.112 31.206 1.00 73.25 C ATOM 1267 CZ PHE A 76 -16.196 -7.554 30.900 1.00 10.35 C ATOM 0 H PHE A 76 -17.646 -8.173 25.879 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.173 -9.910 27.708 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.158 -6.896 27.273 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.211 -7.725 28.401 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -16.756 -6.749 27.682 1.00 2.43 H new ATOM 0 HD2 PHE A 76 -19.360 -8.617 30.483 1.00 44.41 H new ATOM 0 HE1 PHE A 76 -15.001 -6.627 29.390 1.00 14.30 H new ATOM 0 HE2 PHE A 76 -17.606 -8.496 32.198 1.00 73.25 H new ATOM 0 HZ PHE A 76 -15.423 -7.500 31.653 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.171 -9.659 24.998 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.223 -9.757 23.994 1.00 1.24 C ATOM 1279 C GLU A 77 -22.382 -10.618 24.488 1.00 64.35 C ATOM 1280 O GLU A 77 -22.734 -11.621 23.866 1.00 22.34 O ATOM 1281 CB GLU A 77 -20.657 -10.345 22.700 1.00 71.23 C ATOM 1282 CG GLU A 77 -21.394 -9.893 21.449 1.00 55.43 C ATOM 1283 CD GLU A 77 -21.372 -10.934 20.348 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -21.713 -12.102 20.627 1.00 30.04 O ATOM 1285 OE2 GLU A 77 -21.010 -10.582 19.205 1.00 31.00 O ATOM 0 H GLU A 77 -19.293 -10.100 24.725 1.00 54.11 H new ATOM 0 HA GLU A 77 -21.602 -8.753 23.804 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -19.607 -10.065 22.613 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -20.693 -11.433 22.759 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -22.428 -9.663 21.705 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -20.944 -8.971 21.081 1.00 55.43 H new ATOM 1292 N GLY A 78 -22.975 -10.219 25.605 1.00 23.53 N ATOM 1293 CA GLY A 78 -24.088 -10.964 26.158 1.00 62.55 C ATOM 1294 C GLY A 78 -24.699 -10.301 27.377 1.00 72.21 C ATOM 1295 O GLY A 78 -25.922 -10.239 27.507 1.00 64.15 O ATOM 0 H GLY A 78 -22.705 -9.392 26.138 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -24.855 -11.082 25.393 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -23.750 -11.965 26.427 1.00 62.55 H new