USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 653 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 4 GLN : amide:sc= 0.625 X(o=-5.9,f=-5.6) USER MOD Set 1.2: A 71 GLN : amide:sc= -6.5! C(o=-5.9!,f=-5.6!) USER MOD Set 2.1: A 3 GLN : amide:sc= 0.466 K(o=0.95,f=-14!) USER MOD Set 2.2: A 41 LYS NZ :NH3+ -133:sc= 0.197 (180deg=-1.73) USER MOD Set 2.3: A 66 GLN : amide:sc= 0.287 K(o=0.95,f=-12!) USER MOD Set 3.1: A 15 GLN : amide:sc= 1.18 K(o=-2.8,f=-4) USER MOD Set 3.2: A 57 THR OG1 : rot 170:sc= -4! USER MOD Set 4.1: A 37 LYS NZ :NH3+ 173:sc= 0.905 (180deg=0) USER MOD Set 4.2: A 56 SER OG : rot 77:sc= 1.85 USER MOD Set 5.1: A 51 MET CE :methyl 177:sc= -5.38! (180deg=-5.79!) USER MOD Set 5.2: A 52 SER OG : rot -120:sc= -4! USER MOD Set 6.1: A 43 ASN : amide:sc= -2.07! C(o=-1.4!,f=-14!) USER MOD Set 6.2: A 46 SER OG : rot 64:sc= 0.688 USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= 0.236 (180deg=0.0901) USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= -1.01! (180deg=-2.55!) USER MOD Single : A 12 THR OG1 : rot -169:sc= -1.06 USER MOD Single : A 24 GLN : amide:sc= 1.13 K(o=1.1,f=-0.014) USER MOD Single : A 27 ASN : amide:sc= -1.76! C(o=-1.8!,f=-8.4!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 120:sc= -0.303 USER MOD Single : A 40 LYS NZ :NH3+ 154:sc= -3.37! (180deg=-3.84!) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= -0.35 (180deg=-0.379) USER MOD Single : A 48 MET CE :methyl -157:sc= -0.173 (180deg=-1.04) USER MOD Single : A 59 THR OG1 : rot 69:sc= 0.194 USER MOD Single : A 62 THR OG1 : rot 153:sc= -3.22! USER MOD Single : A 76 LYS NZ :NH3+ 160:sc= -3.7! (180deg=-5.01!) USER MOD Single : A 80 TYR OH : rot -15:sc= -4.09! USER MOD Single : A 82 GLN : amide:sc= -6.55! C(o=-6.5!,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 19 N GLN A 3 -16.602 4.436 0.550 1.00 0.00 N ATOM 20 CA GLN A 3 -15.383 3.913 1.112 1.00 0.00 C ATOM 21 C GLN A 3 -15.791 2.865 2.137 1.00 0.00 C ATOM 22 O GLN A 3 -16.583 3.143 3.045 1.00 0.00 O ATOM 23 CB GLN A 3 -14.546 5.021 1.743 1.00 0.00 C ATOM 24 CG GLN A 3 -13.117 4.506 1.910 1.00 0.00 C ATOM 25 CD GLN A 3 -12.207 5.538 2.554 1.00 0.00 C ATOM 26 OE1 GLN A 3 -11.526 5.229 3.524 1.00 0.00 O ATOM 27 NE2 GLN A 3 -12.177 6.759 2.030 1.00 0.00 N ATOM 0 HA GLN A 3 -14.756 3.469 0.339 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.558 5.911 1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.962 5.308 2.709 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.127 3.602 2.519 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.716 4.229 0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -12.758 6.981 1.222 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.573 7.474 2.436 1.00 0.00 H new ATOM 36 N GLN A 4 -15.277 1.656 1.953 1.00 0.00 N ATOM 37 CA GLN A 4 -15.514 0.537 2.847 1.00 0.00 C ATOM 38 C GLN A 4 -14.166 -0.109 3.138 1.00 0.00 C ATOM 39 O GLN A 4 -13.235 0.061 2.353 1.00 0.00 O ATOM 40 CB GLN A 4 -16.438 -0.468 2.158 1.00 0.00 C ATOM 41 CG GLN A 4 -17.875 0.039 2.075 1.00 0.00 C ATOM 42 CD GLN A 4 -18.561 -0.075 3.426 1.00 0.00 C ATOM 43 OE1 GLN A 4 -19.135 0.892 3.921 1.00 0.00 O ATOM 44 NE2 GLN A 4 -18.497 -1.248 4.047 1.00 0.00 N ATOM 0 H GLN A 4 -14.674 1.424 1.164 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.984 0.866 3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.067 -0.672 1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.418 -1.412 2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.881 1.078 1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.427 -0.536 1.331 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.013 -2.031 3.609 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -18.932 -1.365 4.962 1.00 0.00 H new ATOM 53 N LYS A 5 -14.037 -0.831 4.249 1.00 0.00 N ATOM 54 CA LYS A 5 -12.811 -1.523 4.568 1.00 0.00 C ATOM 55 C LYS A 5 -13.121 -2.709 5.464 1.00 0.00 C ATOM 56 O LYS A 5 -13.995 -2.624 6.324 1.00 0.00 O ATOM 57 CB LYS A 5 -11.813 -0.583 5.243 1.00 0.00 C ATOM 58 CG LYS A 5 -12.384 0.133 6.468 1.00 0.00 C ATOM 59 CD LYS A 5 -13.137 1.391 6.040 1.00 0.00 C ATOM 60 CE LYS A 5 -13.739 2.084 7.261 1.00 0.00 C ATOM 61 NZ LYS A 5 -12.692 2.555 8.184 1.00 0.00 N ATOM 0 H LYS A 5 -14.777 -0.946 4.941 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.355 -1.880 3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.934 -1.153 5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.480 0.161 4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.055 -0.535 7.009 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.578 0.398 7.152 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.460 2.071 5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.926 1.130 5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.348 2.928 6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.402 1.394 7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.103 3.231 8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.296 1.745 8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.937 3.022 7.643 1.00 0.00 H new ATOM 75 N VAL A 6 -12.402 -3.806 5.259 1.00 0.00 N ATOM 76 CA VAL A 6 -12.519 -4.993 6.084 1.00 0.00 C ATOM 77 C VAL A 6 -11.123 -5.279 6.625 1.00 0.00 C ATOM 78 O VAL A 6 -10.151 -5.219 5.879 1.00 0.00 O ATOM 79 CB VAL A 6 -13.118 -6.149 5.279 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.607 -5.886 5.070 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.464 -6.267 3.906 1.00 0.00 C ATOM 0 H VAL A 6 -11.717 -3.893 4.508 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.203 -4.852 6.921 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.949 -7.072 5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -15.044 -6.704 4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -15.103 -5.815 6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.738 -4.951 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.912 -7.097 3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.617 -5.342 3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.396 -6.446 4.026 1.00 0.00 H new ATOM 91 N GLU A 7 -10.983 -5.510 7.926 1.00 0.00 N ATOM 92 CA GLU A 7 -9.655 -5.650 8.490 1.00 0.00 C ATOM 93 C GLU A 7 -9.039 -7.019 8.260 1.00 0.00 C ATOM 94 O GLU A 7 -9.727 -8.029 8.110 1.00 0.00 O ATOM 95 CB GLU A 7 -9.652 -5.285 9.972 1.00 0.00 C ATOM 96 CG GLU A 7 -10.119 -3.843 10.172 1.00 0.00 C ATOM 97 CD GLU A 7 -9.999 -3.408 11.625 1.00 0.00 C ATOM 98 OE1 GLU A 7 -9.142 -3.986 12.328 1.00 0.00 O ATOM 99 OE2 GLU A 7 -10.781 -2.510 12.006 1.00 0.00 O ATOM 0 H GLU A 7 -11.752 -5.601 8.590 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.021 -4.945 7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.305 -5.964 10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.649 -5.408 10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.527 -3.178 9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.156 -3.748 9.848 1.00 0.00 H new ATOM 106 N VAL A 8 -7.711 -7.020 8.232 1.00 0.00 N ATOM 107 CA VAL A 8 -6.902 -8.188 7.980 1.00 0.00 C ATOM 108 C VAL A 8 -5.606 -8.055 8.758 1.00 0.00 C ATOM 109 O VAL A 8 -5.038 -6.970 8.812 1.00 0.00 O ATOM 110 CB VAL A 8 -6.583 -8.278 6.472 1.00 0.00 C ATOM 111 CG1 VAL A 8 -7.271 -7.170 5.679 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.080 -8.178 6.187 1.00 0.00 C ATOM 0 H VAL A 8 -7.159 -6.177 8.390 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.437 -9.086 8.290 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.954 -9.254 6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.021 -7.269 4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.351 -7.249 5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.933 -6.199 6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.908 -8.247 5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.703 -7.224 6.555 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.559 -8.992 6.691 1.00 0.00 H new ATOM 122 N ARG A 9 -5.098 -9.136 9.333 1.00 0.00 N ATOM 123 CA ARG A 9 -3.741 -9.043 9.835 1.00 0.00 C ATOM 124 C ARG A 9 -2.849 -9.163 8.605 1.00 0.00 C ATOM 125 O ARG A 9 -3.152 -9.966 7.725 1.00 0.00 O ATOM 126 CB ARG A 9 -3.438 -10.175 10.810 1.00 0.00 C ATOM 127 CG ARG A 9 -1.929 -10.247 11.039 1.00 0.00 C ATOM 128 CD ARG A 9 -1.477 -11.705 10.986 1.00 0.00 C ATOM 129 NE ARG A 9 -1.973 -12.376 9.774 1.00 0.00 N ATOM 130 CZ ARG A 9 -1.500 -13.541 9.310 1.00 0.00 C ATOM 131 NH1 ARG A 9 -0.360 -14.046 9.792 1.00 0.00 N ATOM 132 NH2 ARG A 9 -2.173 -14.210 8.368 1.00 0.00 N ATOM 0 H ARG A 9 -5.570 -10.032 9.458 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.581 -8.110 10.376 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.954 -10.006 11.755 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.804 -11.122 10.412 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.407 -9.665 10.280 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.675 -9.811 12.005 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.388 -11.751 11.010 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.838 -12.232 11.869 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.725 -11.925 9.253 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.154 -13.544 10.516 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.004 -14.933 9.436 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.047 -13.834 8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.812 -15.097 8.016 1.00 0.00 H new ATOM 146 N LEU A 10 -1.773 -8.379 8.522 1.00 0.00 N ATOM 147 CA LEU A 10 -0.862 -8.465 7.395 1.00 0.00 C ATOM 148 C LEU A 10 -0.259 -9.855 7.299 1.00 0.00 C ATOM 149 O LEU A 10 0.784 -10.121 7.889 1.00 0.00 O ATOM 150 CB LEU A 10 0.274 -7.452 7.499 1.00 0.00 C ATOM 151 CG LEU A 10 -0.043 -6.172 6.743 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.750 -6.486 5.427 1.00 0.00 C ATOM 153 CD2 LEU A 10 -0.884 -5.252 7.618 1.00 0.00 C ATOM 0 H LEU A 10 -1.517 -7.682 9.222 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.449 -8.245 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.459 -7.219 8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.190 -7.891 7.104 1.00 0.00 H new ATOM 0 HG LEU A 10 0.888 -5.660 6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.968 -5.557 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.106 -7.111 4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.681 -7.015 5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.109 -4.336 7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.815 -5.753 7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.331 -5.007 8.525 1.00 0.00 H new ATOM 165 N LYS A 11 -0.905 -10.725 6.539 1.00 0.00 N ATOM 166 CA LYS A 11 -0.420 -12.055 6.292 1.00 0.00 C ATOM 167 C LYS A 11 0.740 -11.912 5.325 1.00 0.00 C ATOM 168 O LYS A 11 1.785 -12.527 5.521 1.00 0.00 O ATOM 169 CB LYS A 11 -1.583 -12.866 5.746 1.00 0.00 C ATOM 170 CG LYS A 11 -1.153 -14.157 5.074 1.00 0.00 C ATOM 171 CD LYS A 11 -0.834 -13.912 3.605 1.00 0.00 C ATOM 172 CE LYS A 11 -1.964 -13.047 3.071 1.00 0.00 C ATOM 173 NZ LYS A 11 -1.988 -12.979 1.602 1.00 0.00 N ATOM 0 H LYS A 11 -1.789 -10.516 6.076 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.057 -12.577 7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.268 -13.100 6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.136 -12.258 5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.277 -14.563 5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.945 -14.901 5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.128 -13.411 3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.770 -14.852 3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.916 -13.441 3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.865 -12.039 3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.379 -12.063 1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.020 -13.079 1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.581 -13.747 1.229 1.00 0.00 H new ATOM 187 N THR A 12 0.558 -11.089 4.290 1.00 0.00 N ATOM 188 CA THR A 12 1.664 -10.748 3.421 1.00 0.00 C ATOM 189 C THR A 12 2.620 -9.859 4.217 1.00 0.00 C ATOM 190 O THR A 12 3.811 -10.128 4.337 1.00 0.00 O ATOM 191 CB THR A 12 1.166 -9.959 2.206 1.00 0.00 C ATOM 192 OG1 THR A 12 0.347 -8.877 2.620 1.00 0.00 O ATOM 193 CG2 THR A 12 0.342 -10.865 1.302 1.00 0.00 C ATOM 0 H THR A 12 -0.333 -10.657 4.043 1.00 0.00 H new ATOM 0 HA THR A 12 2.154 -11.658 3.074 1.00 0.00 H new ATOM 0 HB THR A 12 2.035 -9.579 1.669 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.102 -8.490 1.840 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.009 -10.297 0.440 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.958 -11.697 0.962 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.514 -11.250 1.856 1.00 0.00 H new ATOM 201 N GLY A 13 2.059 -8.788 4.791 1.00 0.00 N ATOM 202 CA GLY A 13 2.844 -7.725 5.384 1.00 0.00 C ATOM 203 C GLY A 13 3.565 -7.002 4.258 1.00 0.00 C ATOM 204 O GLY A 13 4.705 -6.588 4.419 1.00 0.00 O ATOM 0 H GLY A 13 1.051 -8.644 4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.202 -7.036 5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.560 -8.131 6.099 1.00 0.00 H new ATOM 208 N LEU A 14 2.911 -6.944 3.092 1.00 0.00 N ATOM 209 CA LEU A 14 3.286 -6.168 1.921 1.00 0.00 C ATOM 210 C LEU A 14 4.792 -6.176 1.697 1.00 0.00 C ATOM 211 O LEU A 14 5.426 -5.128 1.609 1.00 0.00 O ATOM 212 CB LEU A 14 2.700 -4.768 2.023 1.00 0.00 C ATOM 213 CG LEU A 14 1.215 -4.768 1.646 1.00 0.00 C ATOM 214 CD1 LEU A 14 1.017 -5.288 0.231 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.375 -5.625 2.588 1.00 0.00 C ATOM 0 H LEU A 14 2.053 -7.474 2.939 1.00 0.00 H new ATOM 0 HA LEU A 14 2.862 -6.635 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.821 -4.392 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.246 -4.092 1.365 1.00 0.00 H new ATOM 0 HG LEU A 14 0.884 -3.732 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.045 -5.279 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.557 -4.651 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.397 -6.307 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.669 -5.591 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.730 -6.655 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.463 -5.242 3.605 1.00 0.00 H new ATOM 227 N GLN A 15 5.353 -7.376 1.607 1.00 0.00 N ATOM 228 CA GLN A 15 6.789 -7.526 1.547 1.00 0.00 C ATOM 229 C GLN A 15 7.326 -7.481 0.125 1.00 0.00 C ATOM 230 O GLN A 15 8.161 -6.633 -0.177 1.00 0.00 O ATOM 231 CB GLN A 15 7.213 -8.792 2.288 1.00 0.00 C ATOM 232 CG GLN A 15 6.722 -8.717 3.735 1.00 0.00 C ATOM 233 CD GLN A 15 7.284 -9.856 4.570 1.00 0.00 C ATOM 234 OE1 GLN A 15 8.491 -9.952 4.767 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.422 -10.735 5.068 1.00 0.00 N ATOM 0 H GLN A 15 4.832 -8.252 1.575 1.00 0.00 H new ATOM 0 HA GLN A 15 7.236 -6.669 2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.798 -9.672 1.796 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.298 -8.895 2.264 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.017 -7.763 4.172 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.633 -8.753 3.754 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.424 -10.629 4.887 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.758 -11.516 5.631 1.00 0.00 H new ATOM 244 N ALA A 16 6.883 -8.376 -0.759 1.00 0.00 N ATOM 245 CA ALA A 16 7.480 -8.382 -2.081 1.00 0.00 C ATOM 246 C ALA A 16 6.604 -8.950 -3.190 1.00 0.00 C ATOM 247 O ALA A 16 6.737 -8.527 -4.340 1.00 0.00 O ATOM 248 CB ALA A 16 8.783 -9.174 -2.009 1.00 0.00 C ATOM 0 H ALA A 16 6.153 -9.068 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 16 7.637 -7.338 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.252 -9.193 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.457 -8.701 -1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.572 -10.194 -1.688 1.00 0.00 H new ATOM 254 N ARG A 17 5.728 -9.910 -2.901 1.00 0.00 N ATOM 255 CA ARG A 17 5.013 -10.526 -4.011 1.00 0.00 C ATOM 256 C ARG A 17 3.506 -10.532 -3.824 1.00 0.00 C ATOM 257 O ARG A 17 2.799 -9.804 -4.520 1.00 0.00 O ATOM 258 CB ARG A 17 5.583 -11.916 -4.291 1.00 0.00 C ATOM 259 CG ARG A 17 6.083 -11.945 -5.732 1.00 0.00 C ATOM 260 CD ARG A 17 7.206 -10.921 -5.890 1.00 0.00 C ATOM 261 NE ARG A 17 8.433 -11.367 -5.223 1.00 0.00 N ATOM 262 CZ ARG A 17 9.449 -10.545 -4.928 1.00 0.00 C ATOM 263 NH1 ARG A 17 9.309 -9.225 -5.081 1.00 0.00 N ATOM 264 NH2 ARG A 17 10.601 -11.049 -4.475 1.00 0.00 N ATOM 0 H ARG A 17 5.506 -10.260 -1.969 1.00 0.00 H new ATOM 0 HA ARG A 17 5.175 -9.908 -4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.397 -12.139 -3.602 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.819 -12.678 -4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.444 -12.942 -5.985 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.267 -11.718 -6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.405 -10.757 -6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.890 -9.965 -5.473 1.00 0.00 H new ATOM 0 HE ARG A 17 8.517 -12.352 -4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.428 -8.842 -5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.083 -8.601 -4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.705 -12.057 -4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.377 -10.426 -4.249 1.00 0.00 H new ATOM 278 N PRO A 18 3.005 -11.335 -2.882 1.00 0.00 N ATOM 279 CA PRO A 18 1.607 -11.370 -2.482 1.00 0.00 C ATOM 280 C PRO A 18 1.140 -9.952 -2.178 1.00 0.00 C ATOM 281 O PRO A 18 0.035 -9.564 -2.546 1.00 0.00 O ATOM 282 CB PRO A 18 1.580 -12.216 -1.209 1.00 0.00 C ATOM 283 CG PRO A 18 2.968 -11.901 -0.660 1.00 0.00 C ATOM 284 CD PRO A 18 3.811 -12.019 -1.909 1.00 0.00 C ATOM 0 HA PRO A 18 0.957 -11.780 -3.255 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.784 -11.919 -0.527 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.443 -13.277 -1.416 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.020 -10.905 -0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.275 -12.607 0.112 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.788 -11.551 -1.787 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.988 -13.059 -2.185 1.00 0.00 H new ATOM 292 N ALA A 19 2.008 -9.191 -1.521 1.00 0.00 N ATOM 293 CA ALA A 19 1.877 -7.793 -1.214 1.00 0.00 C ATOM 294 C ALA A 19 1.610 -6.975 -2.473 1.00 0.00 C ATOM 295 O ALA A 19 0.687 -6.159 -2.525 1.00 0.00 O ATOM 296 CB ALA A 19 3.252 -7.447 -0.697 1.00 0.00 C ATOM 0 H ALA A 19 2.884 -9.576 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 19 1.058 -7.588 -0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.283 -6.392 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.475 -8.055 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.992 -7.644 -1.472 1.00 0.00 H new ATOM 302 N ALA A 20 2.427 -7.215 -3.500 1.00 0.00 N ATOM 303 CA ALA A 20 2.274 -6.576 -4.791 1.00 0.00 C ATOM 304 C ALA A 20 0.907 -6.954 -5.341 1.00 0.00 C ATOM 305 O ALA A 20 0.199 -6.115 -5.884 1.00 0.00 O ATOM 306 CB ALA A 20 3.388 -7.040 -5.725 1.00 0.00 C ATOM 0 H ALA A 20 3.214 -7.862 -3.451 1.00 0.00 H new ATOM 0 HA ALA A 20 2.343 -5.492 -4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.272 -6.559 -6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.355 -6.771 -5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.333 -8.122 -5.847 1.00 0.00 H new ATOM 312 N LEU A 21 0.523 -8.218 -5.150 1.00 0.00 N ATOM 313 CA LEU A 21 -0.786 -8.715 -5.549 1.00 0.00 C ATOM 314 C LEU A 21 -1.885 -7.932 -4.821 1.00 0.00 C ATOM 315 O LEU A 21 -2.878 -7.564 -5.438 1.00 0.00 O ATOM 316 CB LEU A 21 -0.842 -10.219 -5.291 1.00 0.00 C ATOM 317 CG LEU A 21 -2.008 -10.894 -6.009 1.00 0.00 C ATOM 318 CD1 LEU A 21 -1.797 -12.403 -5.948 1.00 0.00 C ATOM 319 CD2 LEU A 21 -3.337 -10.561 -5.338 1.00 0.00 C ATOM 0 H LEU A 21 1.116 -8.924 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.955 -8.561 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.093 -10.675 -5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.928 -10.397 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.042 -10.537 -7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.620 -12.906 -6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.857 -12.659 -6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.763 -12.724 -4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.148 -11.056 -5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.319 -10.906 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.494 -9.483 -5.358 1.00 0.00 H new ATOM 331 N PHE A 22 -1.698 -7.658 -3.525 1.00 0.00 N ATOM 332 CA PHE A 22 -2.563 -6.822 -2.697 1.00 0.00 C ATOM 333 C PHE A 22 -2.787 -5.503 -3.414 1.00 0.00 C ATOM 334 O PHE A 22 -3.914 -5.169 -3.781 1.00 0.00 O ATOM 335 CB PHE A 22 -1.844 -6.615 -1.355 1.00 0.00 C ATOM 336 CG PHE A 22 -2.270 -5.471 -0.443 1.00 0.00 C ATOM 337 CD1 PHE A 22 -2.028 -4.137 -0.823 1.00 0.00 C ATOM 338 CD2 PHE A 22 -2.620 -5.740 0.891 1.00 0.00 C ATOM 339 CE1 PHE A 22 -2.225 -3.080 0.081 1.00 0.00 C ATOM 340 CE2 PHE A 22 -2.822 -4.687 1.803 1.00 0.00 C ATOM 341 CZ PHE A 22 -2.629 -3.354 1.398 1.00 0.00 C ATOM 0 H PHE A 22 -0.904 -8.031 -3.005 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.535 -7.281 -2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.942 -7.540 -0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.783 -6.484 -1.570 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.686 -3.923 -1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.735 -6.763 1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.066 -2.060 -0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.126 -4.903 2.817 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.791 -2.546 2.096 1.00 0.00 H new ATOM 351 N VAL A 23 -1.692 -4.768 -3.622 1.00 0.00 N ATOM 352 CA VAL A 23 -1.757 -3.469 -4.263 1.00 0.00 C ATOM 353 C VAL A 23 -2.346 -3.586 -5.661 1.00 0.00 C ATOM 354 O VAL A 23 -3.047 -2.679 -6.095 1.00 0.00 O ATOM 355 CB VAL A 23 -0.372 -2.829 -4.271 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.329 -1.597 -5.171 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.066 -2.393 -2.846 1.00 0.00 C ATOM 0 H VAL A 23 -0.752 -5.058 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.422 -2.818 -3.696 1.00 0.00 H new ATOM 0 HB VAL A 23 0.353 -3.550 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.673 -1.167 -5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.582 -1.883 -6.192 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.047 -0.859 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.920 -1.929 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.817 -1.675 -2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.081 -3.262 -2.188 1.00 0.00 H new ATOM 367 N GLN A 24 -2.079 -4.696 -6.345 1.00 0.00 N ATOM 368 CA GLN A 24 -2.532 -4.991 -7.684 1.00 0.00 C ATOM 369 C GLN A 24 -4.044 -5.148 -7.733 1.00 0.00 C ATOM 370 O GLN A 24 -4.690 -4.559 -8.589 1.00 0.00 O ATOM 371 CB GLN A 24 -1.857 -6.288 -8.115 1.00 0.00 C ATOM 372 CG GLN A 24 -2.115 -6.572 -9.589 1.00 0.00 C ATOM 373 CD GLN A 24 -1.565 -7.938 -9.961 1.00 0.00 C ATOM 374 OE1 GLN A 24 -0.478 -8.049 -10.515 1.00 0.00 O ATOM 375 NE2 GLN A 24 -2.312 -8.992 -9.651 1.00 0.00 N ATOM 0 H GLN A 24 -1.511 -5.446 -5.952 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.272 -4.171 -8.354 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.784 -6.221 -7.936 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.230 -7.115 -7.511 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.185 -6.534 -9.793 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.646 -5.803 -10.203 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.212 -8.861 -9.190 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.985 -9.932 -9.874 1.00 0.00 H new ATOM 384 N GLU A 25 -4.618 -5.938 -6.830 1.00 0.00 N ATOM 385 CA GLU A 25 -6.045 -6.201 -6.816 1.00 0.00 C ATOM 386 C GLU A 25 -6.771 -4.966 -6.323 1.00 0.00 C ATOM 387 O GLU A 25 -7.739 -4.517 -6.938 1.00 0.00 O ATOM 388 CB GLU A 25 -6.339 -7.408 -5.931 1.00 0.00 C ATOM 389 CG GLU A 25 -5.489 -8.599 -6.362 1.00 0.00 C ATOM 390 CD GLU A 25 -5.758 -8.962 -7.811 1.00 0.00 C ATOM 391 OE1 GLU A 25 -6.859 -9.493 -8.065 1.00 0.00 O ATOM 392 OE2 GLU A 25 -4.864 -8.684 -8.638 1.00 0.00 O ATOM 0 H GLU A 25 -4.102 -6.412 -6.089 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.395 -6.431 -7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.132 -7.163 -4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.396 -7.665 -5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.433 -8.363 -6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.705 -9.455 -5.723 1.00 0.00 H new ATOM 399 N ALA A 26 -6.287 -4.427 -5.203 1.00 0.00 N ATOM 400 CA ALA A 26 -6.762 -3.173 -4.652 1.00 0.00 C ATOM 401 C ALA A 26 -6.788 -2.138 -5.766 1.00 0.00 C ATOM 402 O ALA A 26 -7.767 -1.426 -5.942 1.00 0.00 O ATOM 403 CB ALA A 26 -5.743 -2.723 -3.620 1.00 0.00 C ATOM 0 H ALA A 26 -5.546 -4.860 -4.652 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.754 -3.286 -4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.064 -1.779 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.659 -3.478 -2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.774 -2.588 -4.100 1.00 0.00 H new ATOM 409 N ASN A 27 -5.683 -2.084 -6.508 1.00 0.00 N ATOM 410 CA ASN A 27 -5.481 -1.233 -7.660 1.00 0.00 C ATOM 411 C ASN A 27 -6.519 -1.467 -8.724 1.00 0.00 C ATOM 412 O ASN A 27 -7.111 -0.526 -9.246 1.00 0.00 O ATOM 413 CB ASN A 27 -4.189 -1.659 -8.351 1.00 0.00 C ATOM 414 CG ASN A 27 -3.205 -0.519 -8.489 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.184 0.171 -9.504 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.377 -0.341 -7.469 1.00 0.00 N ATOM 0 H ASN A 27 -4.869 -2.665 -6.305 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.498 -0.206 -7.295 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.727 -2.467 -7.784 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.422 -2.055 -9.339 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.677 0.400 -7.504 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.440 -0.945 -6.650 1.00 0.00 H new ATOM 423 N ARG A 28 -6.654 -2.742 -9.088 1.00 0.00 N ATOM 424 CA ARG A 28 -7.486 -3.106 -10.218 1.00 0.00 C ATOM 425 C ARG A 28 -8.918 -2.695 -9.981 1.00 0.00 C ATOM 426 O ARG A 28 -9.594 -2.198 -10.882 1.00 0.00 O ATOM 427 CB ARG A 28 -7.360 -4.573 -10.547 1.00 0.00 C ATOM 428 CG ARG A 28 -5.953 -4.789 -11.105 1.00 0.00 C ATOM 429 CD ARG A 28 -5.605 -3.868 -12.282 1.00 0.00 C ATOM 430 NE ARG A 28 -5.062 -2.579 -11.830 1.00 0.00 N ATOM 431 CZ ARG A 28 -5.648 -1.389 -12.025 1.00 0.00 C ATOM 432 NH1 ARG A 28 -6.821 -1.311 -12.665 1.00 0.00 N ATOM 433 NH2 ARG A 28 -5.074 -0.275 -11.559 1.00 0.00 N ATOM 0 H ARG A 28 -6.201 -3.526 -8.619 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.131 -2.560 -11.092 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.519 -5.182 -9.657 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.114 -4.870 -11.276 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.228 -4.632 -10.307 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.855 -5.826 -11.426 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.878 -4.362 -12.926 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.498 -3.695 -12.883 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.173 -2.591 -11.331 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.273 -2.159 -13.007 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.263 -0.403 -12.811 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.189 -0.330 -11.054 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.521 0.630 -11.708 1.00 0.00 H new ATOM 447 N PHE A 29 -9.387 -2.916 -8.757 1.00 0.00 N ATOM 448 CA PHE A 29 -10.707 -2.445 -8.418 1.00 0.00 C ATOM 449 C PHE A 29 -10.598 -0.934 -8.354 1.00 0.00 C ATOM 450 O PHE A 29 -9.768 -0.378 -7.641 1.00 0.00 O ATOM 451 CB PHE A 29 -11.228 -3.119 -7.157 1.00 0.00 C ATOM 452 CG PHE A 29 -11.547 -4.585 -7.388 1.00 0.00 C ATOM 453 CD1 PHE A 29 -10.983 -5.265 -8.483 1.00 0.00 C ATOM 454 CD2 PHE A 29 -12.469 -5.252 -6.567 1.00 0.00 C ATOM 455 CE1 PHE A 29 -11.324 -6.597 -8.758 1.00 0.00 C ATOM 456 CE2 PHE A 29 -12.780 -6.600 -6.819 1.00 0.00 C ATOM 457 CZ PHE A 29 -12.231 -7.267 -7.925 1.00 0.00 C ATOM 0 H PHE A 29 -8.887 -3.402 -8.013 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.460 -2.710 -9.160 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.485 -3.030 -6.365 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.124 -2.602 -6.813 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.277 -4.754 -9.121 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.938 -4.732 -5.745 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -10.890 -7.104 -9.607 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -13.448 -7.127 -6.155 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.506 -8.291 -8.133 1.00 0.00 H new ATOM 467 N THR A 30 -11.435 -0.278 -9.143 1.00 0.00 N ATOM 468 CA THR A 30 -11.374 1.155 -9.383 1.00 0.00 C ATOM 469 C THR A 30 -11.955 1.936 -8.207 1.00 0.00 C ATOM 470 O THR A 30 -12.941 2.657 -8.317 1.00 0.00 O ATOM 471 CB THR A 30 -12.087 1.409 -10.706 1.00 0.00 C ATOM 472 OG1 THR A 30 -11.309 0.850 -11.746 1.00 0.00 O ATOM 473 CG2 THR A 30 -12.277 2.896 -10.957 1.00 0.00 C ATOM 0 H THR A 30 -12.193 -0.739 -9.646 1.00 0.00 H new ATOM 0 HA THR A 30 -10.346 1.510 -9.461 1.00 0.00 H new ATOM 0 HB THR A 30 -13.074 0.949 -10.670 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.754 1.003 -12.606 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.788 3.042 -11.908 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.875 3.327 -10.154 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.304 3.387 -10.989 1.00 0.00 H new ATOM 481 N SER A 31 -11.286 1.799 -7.073 1.00 0.00 N ATOM 482 CA SER A 31 -11.652 2.329 -5.792 1.00 0.00 C ATOM 483 C SER A 31 -10.479 3.026 -5.134 1.00 0.00 C ATOM 484 O SER A 31 -9.322 2.648 -5.317 1.00 0.00 O ATOM 485 CB SER A 31 -12.063 1.132 -4.932 1.00 0.00 C ATOM 486 OG SER A 31 -13.041 0.354 -5.601 1.00 0.00 O ATOM 0 H SER A 31 -10.412 1.275 -7.033 1.00 0.00 H new ATOM 0 HA SER A 31 -12.455 3.059 -5.901 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.190 0.518 -4.711 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.457 1.481 -3.977 1.00 0.00 H new ATOM 0 HG SER A 31 -12.701 -0.556 -5.734 1.00 0.00 H new ATOM 492 N ASP A 32 -10.790 4.040 -4.332 1.00 0.00 N ATOM 493 CA ASP A 32 -9.809 4.677 -3.488 1.00 0.00 C ATOM 494 C ASP A 32 -9.543 3.670 -2.377 1.00 0.00 C ATOM 495 O ASP A 32 -10.284 3.592 -1.398 1.00 0.00 O ATOM 496 CB ASP A 32 -10.411 5.977 -2.989 1.00 0.00 C ATOM 497 CG ASP A 32 -9.440 6.791 -2.152 1.00 0.00 C ATOM 498 OD1 ASP A 32 -8.221 6.549 -2.286 1.00 0.00 O ATOM 499 OD2 ASP A 32 -9.942 7.658 -1.405 1.00 0.00 O ATOM 0 H ASP A 32 -11.727 4.435 -4.256 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.871 4.933 -3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.736 6.573 -3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.299 5.757 -2.396 1.00 0.00 H new ATOM 504 N VAL A 33 -8.583 2.796 -2.645 1.00 0.00 N ATOM 505 CA VAL A 33 -8.253 1.656 -1.814 1.00 0.00 C ATOM 506 C VAL A 33 -7.277 2.026 -0.708 1.00 0.00 C ATOM 507 O VAL A 33 -6.378 2.846 -0.884 1.00 0.00 O ATOM 508 CB VAL A 33 -7.731 0.536 -2.712 1.00 0.00 C ATOM 509 CG1 VAL A 33 -7.431 -0.728 -1.917 1.00 0.00 C ATOM 510 CG2 VAL A 33 -8.815 0.214 -3.738 1.00 0.00 C ATOM 0 H VAL A 33 -7.995 2.867 -3.476 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.148 1.304 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.807 0.868 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.062 -1.502 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.675 -0.512 -1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.342 -1.076 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.469 -0.584 -4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.720 -0.107 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.031 1.103 -4.331 1.00 0.00 H new ATOM 520 N PHE A 34 -7.436 1.380 0.442 1.00 0.00 N ATOM 521 CA PHE A 34 -6.630 1.648 1.616 1.00 0.00 C ATOM 522 C PHE A 34 -6.364 0.391 2.428 1.00 0.00 C ATOM 523 O PHE A 34 -6.794 -0.704 2.077 1.00 0.00 O ATOM 524 CB PHE A 34 -7.327 2.670 2.515 1.00 0.00 C ATOM 525 CG PHE A 34 -7.649 3.989 1.862 1.00 0.00 C ATOM 526 CD1 PHE A 34 -6.651 4.968 1.739 1.00 0.00 C ATOM 527 CD2 PHE A 34 -8.955 4.255 1.417 1.00 0.00 C ATOM 528 CE1 PHE A 34 -6.967 6.236 1.224 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.265 5.511 0.871 1.00 0.00 C ATOM 530 CZ PHE A 34 -8.279 6.512 0.807 1.00 0.00 C ATOM 0 H PHE A 34 -8.135 0.650 0.581 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.677 2.039 1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.253 2.231 2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.694 2.858 3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.638 4.746 2.041 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.719 3.495 1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.203 6.996 1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.260 5.708 0.500 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.531 7.495 0.436 1.00 0.00 H new ATOM 540 N LEU A 35 -5.648 0.574 3.526 1.00 0.00 N ATOM 541 CA LEU A 35 -5.381 -0.405 4.536 1.00 0.00 C ATOM 542 C LEU A 35 -5.213 0.404 5.811 1.00 0.00 C ATOM 543 O LEU A 35 -4.529 1.423 5.793 1.00 0.00 O ATOM 544 CB LEU A 35 -4.101 -1.146 4.209 1.00 0.00 C ATOM 545 CG LEU A 35 -2.943 -0.177 4.017 1.00 0.00 C ATOM 546 CD1 LEU A 35 -1.678 -0.883 4.470 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.821 0.238 2.556 1.00 0.00 C ATOM 0 H LEU A 35 -5.215 1.473 3.737 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.171 -1.152 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.866 -1.845 5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.240 -1.736 3.303 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.110 0.729 4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.825 -0.216 4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.772 -1.160 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.527 -1.780 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.987 0.931 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.646 -0.644 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.743 0.725 2.238 1.00 0.00 H new ATOM 559 N GLU A 36 -5.862 0.004 6.893 1.00 0.00 N ATOM 560 CA GLU A 36 -5.810 0.749 8.139 1.00 0.00 C ATOM 561 C GLU A 36 -5.186 -0.130 9.213 1.00 0.00 C ATOM 562 O GLU A 36 -5.911 -0.933 9.793 1.00 0.00 O ATOM 563 CB GLU A 36 -7.233 1.130 8.547 1.00 0.00 C ATOM 564 CG GLU A 36 -8.018 1.629 7.336 1.00 0.00 C ATOM 565 CD GLU A 36 -9.440 2.006 7.718 1.00 0.00 C ATOM 566 OE1 GLU A 36 -10.136 1.129 8.277 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.804 3.169 7.443 1.00 0.00 O ATOM 0 H GLU A 36 -6.435 -0.839 6.932 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.212 1.652 8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.736 0.268 8.984 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.203 1.904 9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.514 2.493 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.038 0.855 6.569 1.00 0.00 H new ATOM 574 N LYS A 37 -3.883 0.003 9.479 1.00 0.00 N ATOM 575 CA LYS A 37 -3.131 -0.776 10.447 1.00 0.00 C ATOM 576 C LYS A 37 -3.675 -0.562 11.847 1.00 0.00 C ATOM 577 O LYS A 37 -3.136 0.257 12.590 1.00 0.00 O ATOM 578 CB LYS A 37 -1.689 -0.285 10.393 1.00 0.00 C ATOM 579 CG LYS A 37 -0.830 -1.024 9.369 1.00 0.00 C ATOM 580 CD LYS A 37 0.591 -0.471 9.427 1.00 0.00 C ATOM 581 CE LYS A 37 1.117 -0.655 10.852 1.00 0.00 C ATOM 582 NZ LYS A 37 2.464 -0.085 11.003 1.00 0.00 N ATOM 0 H LYS A 37 -3.304 0.691 8.998 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.205 -1.838 10.212 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.685 0.779 10.158 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.239 -0.395 11.380 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.828 -2.093 9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.243 -0.898 8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.231 -0.992 8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.600 0.584 9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.437 -0.178 11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.139 -1.716 11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.745 -0.119 12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.139 -0.635 10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.462 0.903 10.677 1.00 0.00 H new ATOM 596 N ASP A 38 -4.766 -1.246 12.189 1.00 0.00 N ATOM 597 CA ASP A 38 -5.459 -1.061 13.452 1.00 0.00 C ATOM 598 C ASP A 38 -5.778 0.425 13.623 1.00 0.00 C ATOM 599 O ASP A 38 -5.759 0.947 14.734 1.00 0.00 O ATOM 600 CB ASP A 38 -4.576 -1.568 14.590 1.00 0.00 C ATOM 601 CG ASP A 38 -4.346 -3.071 14.488 1.00 0.00 C ATOM 602 OD1 ASP A 38 -5.236 -3.812 14.954 1.00 0.00 O ATOM 603 OD2 ASP A 38 -3.292 -3.462 13.937 1.00 0.00 O ATOM 0 H ASP A 38 -5.194 -1.950 11.587 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.392 -1.625 13.466 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.618 -1.049 14.568 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.043 -1.334 15.547 1.00 0.00 H new ATOM 608 N GLY A 39 -6.034 1.118 12.509 1.00 0.00 N ATOM 609 CA GLY A 39 -6.233 2.552 12.547 1.00 0.00 C ATOM 610 C GLY A 39 -5.234 3.284 11.648 1.00 0.00 C ATOM 611 O GLY A 39 -5.542 4.355 11.131 1.00 0.00 O ATOM 0 H GLY A 39 -6.106 0.703 11.580 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.249 2.787 12.230 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.129 2.907 13.572 1.00 0.00 H new ATOM 615 N LYS A 40 -4.044 2.716 11.424 1.00 0.00 N ATOM 616 CA LYS A 40 -3.016 3.349 10.615 1.00 0.00 C ATOM 617 C LYS A 40 -3.351 3.174 9.138 1.00 0.00 C ATOM 618 O LYS A 40 -2.738 2.364 8.444 1.00 0.00 O ATOM 619 CB LYS A 40 -1.654 2.740 10.947 1.00 0.00 C ATOM 620 CG LYS A 40 -1.452 2.569 12.455 1.00 0.00 C ATOM 621 CD LYS A 40 -1.799 3.839 13.238 1.00 0.00 C ATOM 622 CE LYS A 40 -0.780 4.963 13.032 1.00 0.00 C ATOM 623 NZ LYS A 40 -0.856 5.553 11.683 1.00 0.00 N ATOM 0 H LYS A 40 -3.774 1.807 11.801 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.976 4.416 10.834 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.562 1.771 10.457 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.865 3.376 10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.071 1.745 12.811 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.415 2.296 12.651 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.785 4.189 12.934 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.859 3.600 14.300 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.948 5.742 13.776 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.224 4.574 13.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.508 6.533 11.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.271 4.997 11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.843 5.546 11.356 1.00 0.00 H new ATOM 637 N LYS A 41 -4.373 3.885 8.677 1.00 0.00 N ATOM 638 CA LYS A 41 -4.858 3.756 7.321 1.00 0.00 C ATOM 639 C LYS A 41 -4.050 4.575 6.317 1.00 0.00 C ATOM 640 O LYS A 41 -3.611 5.690 6.589 1.00 0.00 O ATOM 641 CB LYS A 41 -6.354 4.057 7.323 1.00 0.00 C ATOM 642 CG LYS A 41 -6.968 4.182 5.930 1.00 0.00 C ATOM 643 CD LYS A 41 -6.797 5.617 5.434 1.00 0.00 C ATOM 644 CE LYS A 41 -7.885 5.933 4.410 1.00 0.00 C ATOM 645 NZ LYS A 41 -9.220 5.877 5.030 1.00 0.00 N ATOM 0 H LYS A 41 -4.885 4.566 9.238 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.714 2.734 6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.872 3.267 7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.526 4.985 7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.486 3.487 5.243 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.025 3.918 5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.857 6.312 6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.812 5.743 4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.717 6.924 3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.832 5.222 3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.861 5.325 4.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.150 5.425 5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.593 6.842 5.140 1.00 0.00 H new ATOM 659 N VAL A 42 -3.880 3.985 5.135 1.00 0.00 N ATOM 660 CA VAL A 42 -3.147 4.509 4.002 1.00 0.00 C ATOM 661 C VAL A 42 -3.728 3.946 2.726 1.00 0.00 C ATOM 662 O VAL A 42 -4.473 2.968 2.751 1.00 0.00 O ATOM 663 CB VAL A 42 -1.672 4.139 4.139 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.537 2.628 4.319 1.00 0.00 C ATOM 665 CG2 VAL A 42 -0.842 4.570 2.937 1.00 0.00 C ATOM 0 H VAL A 42 -4.280 3.068 4.939 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.231 5.595 3.971 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.291 4.670 5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.483 2.366 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.072 2.319 5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.959 2.119 3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.198 4.281 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.225 4.086 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.904 5.652 2.821 1.00 0.00 H new ATOM 675 N ASN A 43 -3.416 4.610 1.615 1.00 0.00 N ATOM 676 CA ASN A 43 -3.874 4.210 0.302 1.00 0.00 C ATOM 677 C ASN A 43 -3.180 2.922 -0.098 1.00 0.00 C ATOM 678 O ASN A 43 -2.007 2.904 -0.464 1.00 0.00 O ATOM 679 CB ASN A 43 -3.653 5.319 -0.715 1.00 0.00 C ATOM 680 CG ASN A 43 -4.299 4.916 -2.027 1.00 0.00 C ATOM 681 OD1 ASN A 43 -3.727 4.134 -2.781 1.00 0.00 O ATOM 682 ND2 ASN A 43 -5.490 5.432 -2.303 1.00 0.00 N ATOM 0 H ASN A 43 -2.833 5.447 1.609 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.948 4.027 0.331 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.083 6.253 -0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.586 5.493 -0.857 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.966 5.182 -3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.930 6.079 -1.648 1.00 0.00 H new ATOM 689 N ALA A 44 -3.967 1.860 -0.025 1.00 0.00 N ATOM 690 CA ALA A 44 -3.613 0.470 -0.256 1.00 0.00 C ATOM 691 C ALA A 44 -2.850 0.237 -1.548 1.00 0.00 C ATOM 692 O ALA A 44 -1.932 -0.578 -1.574 1.00 0.00 O ATOM 693 CB ALA A 44 -4.889 -0.361 -0.301 1.00 0.00 C ATOM 0 H ALA A 44 -4.953 1.958 0.218 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.956 0.177 0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.636 -1.407 -0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.418 -0.268 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.528 -0.004 -1.109 1.00 0.00 H new ATOM 699 N LYS A 45 -3.251 0.914 -2.622 1.00 0.00 N ATOM 700 CA LYS A 45 -2.597 0.730 -3.907 1.00 0.00 C ATOM 701 C LYS A 45 -1.340 1.588 -4.023 1.00 0.00 C ATOM 702 O LYS A 45 -0.514 1.360 -4.903 1.00 0.00 O ATOM 703 CB LYS A 45 -3.568 1.045 -5.041 1.00 0.00 C ATOM 704 CG LYS A 45 -4.171 2.432 -4.842 1.00 0.00 C ATOM 705 CD LYS A 45 -4.875 2.900 -6.119 1.00 0.00 C ATOM 706 CE LYS A 45 -5.721 1.781 -6.731 1.00 0.00 C ATOM 707 NZ LYS A 45 -6.787 1.329 -5.822 1.00 0.00 N ATOM 0 H LYS A 45 -4.018 1.587 -2.625 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.291 -0.313 -3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.049 0.999 -5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.360 0.296 -5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.881 2.411 -4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.388 3.140 -4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.510 3.757 -5.893 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.133 3.235 -6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.165 2.132 -7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.078 0.937 -6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.258 0.494 -6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.375 1.081 -4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.483 2.092 -5.696 1.00 0.00 H new ATOM 721 N SER A 46 -1.201 2.592 -3.160 1.00 0.00 N ATOM 722 CA SER A 46 -0.046 3.455 -3.175 1.00 0.00 C ATOM 723 C SER A 46 1.146 2.761 -2.545 1.00 0.00 C ATOM 724 O SER A 46 0.998 1.970 -1.618 1.00 0.00 O ATOM 725 CB SER A 46 -0.371 4.719 -2.386 1.00 0.00 C ATOM 726 OG SER A 46 -1.358 5.457 -3.071 1.00 0.00 O ATOM 0 H SER A 46 -1.886 2.820 -2.440 1.00 0.00 H new ATOM 0 HA SER A 46 0.203 3.704 -4.207 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.723 4.458 -1.388 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.528 5.323 -2.259 1.00 0.00 H new ATOM 0 HG SER A 46 -2.188 4.937 -3.110 1.00 0.00 H new ATOM 732 N ILE A 47 2.339 3.110 -3.025 1.00 0.00 N ATOM 733 CA ILE A 47 3.604 2.619 -2.502 1.00 0.00 C ATOM 734 C ILE A 47 3.633 2.665 -0.976 1.00 0.00 C ATOM 735 O ILE A 47 3.946 1.678 -0.327 1.00 0.00 O ATOM 736 CB ILE A 47 4.747 3.475 -3.047 1.00 0.00 C ATOM 737 CG1 ILE A 47 6.034 2.894 -2.456 1.00 0.00 C ATOM 738 CG2 ILE A 47 4.539 4.943 -2.647 1.00 0.00 C ATOM 739 CD1 ILE A 47 6.945 3.998 -1.935 1.00 0.00 C ATOM 0 H ILE A 47 2.450 3.757 -3.806 1.00 0.00 H new ATOM 0 HA ILE A 47 3.719 1.582 -2.818 1.00 0.00 H new ATOM 0 HB ILE A 47 4.793 3.457 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.788 2.208 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.558 2.314 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.358 5.546 -3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.595 5.302 -3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.517 5.024 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.851 3.557 -1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.209 4.668 -2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.427 4.560 -1.158 1.00 0.00 H new ATOM 751 N MET A 48 3.296 3.812 -0.395 1.00 0.00 N ATOM 752 CA MET A 48 3.326 3.979 1.040 1.00 0.00 C ATOM 753 C MET A 48 2.202 3.194 1.719 1.00 0.00 C ATOM 754 O MET A 48 2.298 2.872 2.905 1.00 0.00 O ATOM 755 CB MET A 48 3.306 5.475 1.336 1.00 0.00 C ATOM 756 CG MET A 48 3.356 5.717 2.844 1.00 0.00 C ATOM 757 SD MET A 48 3.565 7.446 3.320 1.00 0.00 S ATOM 758 CE MET A 48 5.174 7.740 2.560 1.00 0.00 C ATOM 0 H MET A 48 2.998 4.642 -0.908 1.00 0.00 H new ATOM 0 HA MET A 48 4.240 3.560 1.462 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.155 5.959 0.855 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.405 5.923 0.918 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.436 5.339 3.290 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.176 5.136 3.265 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.664 8.577 3.058 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.791 6.847 2.658 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.040 7.974 1.504 1.00 0.00 H new ATOM 768 N GLY A 49 1.144 2.863 0.978 1.00 0.00 N ATOM 769 CA GLY A 49 0.095 2.025 1.501 1.00 0.00 C ATOM 770 C GLY A 49 0.634 0.608 1.573 1.00 0.00 C ATOM 771 O GLY A 49 0.540 -0.006 2.626 1.00 0.00 O ATOM 0 H GLY A 49 1.002 3.169 0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.213 2.368 2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.785 2.068 0.860 1.00 0.00 H new ATOM 775 N LEU A 50 1.215 0.103 0.481 1.00 0.00 N ATOM 776 CA LEU A 50 1.784 -1.225 0.416 1.00 0.00 C ATOM 777 C LEU A 50 3.074 -1.312 1.227 1.00 0.00 C ATOM 778 O LEU A 50 3.115 -1.872 2.319 1.00 0.00 O ATOM 779 CB LEU A 50 2.065 -1.516 -1.062 1.00 0.00 C ATOM 780 CG LEU A 50 2.340 -2.987 -1.379 1.00 0.00 C ATOM 781 CD1 LEU A 50 2.722 -3.094 -2.850 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.499 -3.540 -0.569 1.00 0.00 C ATOM 0 H LEU A 50 1.299 0.623 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 50 1.093 -1.955 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.212 -1.184 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.923 -0.923 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 50 1.442 -3.555 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.923 -4.136 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.902 -2.725 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.615 -2.497 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.657 -4.587 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.402 -2.971 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.271 -3.459 0.494 1.00 0.00 H new ATOM 794 N MET A 51 4.138 -0.763 0.647 1.00 0.00 N ATOM 795 CA MET A 51 5.502 -0.818 1.126 1.00 0.00 C ATOM 796 C MET A 51 5.669 -0.176 2.494 1.00 0.00 C ATOM 797 O MET A 51 6.477 -0.644 3.289 1.00 0.00 O ATOM 798 CB MET A 51 6.381 -0.084 0.115 1.00 0.00 C ATOM 799 CG MET A 51 7.856 -0.229 0.479 1.00 0.00 C ATOM 800 SD MET A 51 8.910 1.018 -0.291 1.00 0.00 S ATOM 801 CE MET A 51 8.176 2.480 0.468 1.00 0.00 C ATOM 0 H MET A 51 4.058 -0.237 -0.223 1.00 0.00 H new ATOM 0 HA MET A 51 5.789 -1.865 1.230 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.207 -0.484 -0.884 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.110 0.971 0.088 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.963 -0.166 1.562 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.200 -1.219 0.181 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.728 3.367 0.158 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.137 2.571 0.153 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.219 2.387 1.553 1.00 0.00 H new ATOM 811 N SER A 52 4.986 0.938 2.749 1.00 0.00 N ATOM 812 CA SER A 52 5.165 1.602 4.026 1.00 0.00 C ATOM 813 C SER A 52 4.337 0.957 5.131 1.00 0.00 C ATOM 814 O SER A 52 4.879 0.328 6.034 1.00 0.00 O ATOM 815 CB SER A 52 4.875 3.095 3.900 1.00 0.00 C ATOM 816 OG SER A 52 5.612 3.641 2.822 1.00 0.00 O ATOM 0 H SER A 52 4.327 1.383 2.110 1.00 0.00 H new ATOM 0 HA SER A 52 6.209 1.483 4.316 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.809 3.255 3.740 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.138 3.605 4.827 1.00 0.00 H new ATOM 0 HG SER A 52 6.207 4.344 3.156 1.00 0.00 H new ATOM 822 N LEU A 53 3.018 1.132 5.089 1.00 0.00 N ATOM 823 CA LEU A 53 2.171 0.657 6.166 1.00 0.00 C ATOM 824 C LEU A 53 1.860 -0.829 6.087 1.00 0.00 C ATOM 825 O LEU A 53 2.105 -1.572 7.039 1.00 0.00 O ATOM 826 CB LEU A 53 0.879 1.447 6.139 1.00 0.00 C ATOM 827 CG LEU A 53 1.087 2.802 6.812 1.00 0.00 C ATOM 828 CD1 LEU A 53 2.045 3.687 6.018 1.00 0.00 C ATOM 829 CD2 LEU A 53 -0.255 3.504 6.866 1.00 0.00 C ATOM 0 H LEU A 53 2.522 1.595 4.327 1.00 0.00 H new ATOM 0 HA LEU A 53 2.715 0.804 7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.550 1.589 5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.093 0.893 6.651 1.00 0.00 H new ATOM 0 HG LEU A 53 1.509 2.635 7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.167 4.642 6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.013 3.193 5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.640 3.859 5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.138 4.477 7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.636 3.639 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.958 2.901 7.440 1.00 0.00 H new ATOM 841 N ALA A 54 1.295 -1.248 4.955 1.00 0.00 N ATOM 842 CA ALA A 54 0.881 -2.613 4.678 1.00 0.00 C ATOM 843 C ALA A 54 2.021 -3.603 4.881 1.00 0.00 C ATOM 844 O ALA A 54 1.782 -4.777 5.142 1.00 0.00 O ATOM 845 CB ALA A 54 0.345 -2.684 3.251 1.00 0.00 C ATOM 0 H ALA A 54 1.108 -0.615 4.177 1.00 0.00 H new ATOM 0 HA ALA A 54 0.096 -2.893 5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.031 -3.704 3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.507 -2.012 3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.128 -2.387 2.553 1.00 0.00 H new ATOM 851 N VAL A 55 3.265 -3.133 4.802 1.00 0.00 N ATOM 852 CA VAL A 55 4.419 -3.983 5.029 1.00 0.00 C ATOM 853 C VAL A 55 4.524 -4.441 6.487 1.00 0.00 C ATOM 854 O VAL A 55 5.373 -5.258 6.842 1.00 0.00 O ATOM 855 CB VAL A 55 5.690 -3.288 4.543 1.00 0.00 C ATOM 856 CG1 VAL A 55 6.186 -2.289 5.587 1.00 0.00 C ATOM 857 CG2 VAL A 55 6.779 -4.325 4.283 1.00 0.00 C ATOM 0 H VAL A 55 3.494 -2.164 4.581 1.00 0.00 H new ATOM 0 HA VAL A 55 4.290 -4.893 4.443 1.00 0.00 H new ATOM 0 HB VAL A 55 5.461 -2.755 3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.092 -1.803 5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.417 -1.537 5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.403 -2.813 6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.683 -3.824 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.994 -4.866 5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.439 -5.027 3.522 1.00 0.00 H new ATOM 867 N SER A 56 3.660 -3.939 7.367 1.00 0.00 N ATOM 868 CA SER A 56 3.706 -4.365 8.744 1.00 0.00 C ATOM 869 C SER A 56 2.980 -5.694 8.925 1.00 0.00 C ATOM 870 O SER A 56 1.910 -5.730 9.536 1.00 0.00 O ATOM 871 CB SER A 56 3.134 -3.269 9.642 1.00 0.00 C ATOM 872 OG SER A 56 3.676 -2.011 9.281 1.00 0.00 O ATOM 0 H SER A 56 2.938 -3.252 7.148 1.00 0.00 H new ATOM 0 HA SER A 56 4.743 -4.531 9.036 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.048 -3.245 9.553 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.363 -3.486 10.685 1.00 0.00 H new ATOM 0 HG SER A 56 3.239 -1.689 8.465 1.00 0.00 H new ATOM 878 N THR A 57 3.551 -6.775 8.380 1.00 0.00 N ATOM 879 CA THR A 57 3.081 -8.140 8.559 1.00 0.00 C ATOM 880 C THR A 57 2.636 -8.357 10.007 1.00 0.00 C ATOM 881 O THR A 57 3.397 -8.107 10.939 1.00 0.00 O ATOM 882 CB THR A 57 4.221 -9.097 8.207 1.00 0.00 C ATOM 883 OG1 THR A 57 4.964 -8.584 7.119 1.00 0.00 O ATOM 884 CG2 THR A 57 3.636 -10.450 7.823 1.00 0.00 C ATOM 0 H THR A 57 4.378 -6.714 7.785 1.00 0.00 H new ATOM 0 HA THR A 57 2.227 -8.328 7.908 1.00 0.00 H new ATOM 0 HB THR A 57 4.879 -9.206 9.069 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.781 -9.113 7.002 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.444 -11.137 7.571 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.067 -10.851 8.661 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.979 -10.331 6.962 1.00 0.00 H new ATOM 892 N GLY A 58 1.389 -8.777 10.201 1.00 0.00 N ATOM 893 CA GLY A 58 0.843 -8.968 11.529 1.00 0.00 C ATOM 894 C GLY A 58 -0.092 -7.833 11.952 1.00 0.00 C ATOM 895 O GLY A 58 -0.858 -8.008 12.895 1.00 0.00 O ATOM 0 H GLY A 58 0.738 -8.991 9.445 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.299 -9.912 11.562 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.660 -9.046 12.246 1.00 0.00 H new ATOM 899 N THR A 59 -0.085 -6.685 11.269 1.00 0.00 N ATOM 900 CA THR A 59 -0.946 -5.590 11.690 1.00 0.00 C ATOM 901 C THR A 59 -2.364 -5.837 11.195 1.00 0.00 C ATOM 902 O THR A 59 -2.541 -6.251 10.052 1.00 0.00 O ATOM 903 CB THR A 59 -0.423 -4.259 11.142 1.00 0.00 C ATOM 904 OG1 THR A 59 0.942 -4.086 11.451 1.00 0.00 O ATOM 905 CG2 THR A 59 -1.203 -3.099 11.751 1.00 0.00 C ATOM 0 H THR A 59 0.490 -6.497 10.448 1.00 0.00 H new ATOM 0 HA THR A 59 -0.948 -5.539 12.779 1.00 0.00 H new ATOM 0 HB THR A 59 -0.550 -4.275 10.060 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.477 -4.730 10.942 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.823 -2.157 11.355 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.259 -3.199 11.500 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.085 -3.110 12.835 1.00 0.00 H new ATOM 913 N GLU A 60 -3.376 -5.578 12.023 1.00 0.00 N ATOM 914 CA GLU A 60 -4.752 -5.759 11.603 1.00 0.00 C ATOM 915 C GLU A 60 -5.192 -4.525 10.826 1.00 0.00 C ATOM 916 O GLU A 60 -5.846 -3.632 11.358 1.00 0.00 O ATOM 917 CB GLU A 60 -5.630 -6.002 12.823 1.00 0.00 C ATOM 918 CG GLU A 60 -4.978 -7.056 13.716 1.00 0.00 C ATOM 919 CD GLU A 60 -5.105 -8.451 13.120 1.00 0.00 C ATOM 920 OE1 GLU A 60 -6.014 -8.636 12.281 1.00 0.00 O ATOM 921 OE2 GLU A 60 -4.287 -9.309 13.516 1.00 0.00 O ATOM 0 H GLU A 60 -3.263 -5.245 12.980 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.846 -6.628 10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.766 -5.073 13.378 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.620 -6.335 12.512 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.924 -6.814 13.856 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.443 -7.037 14.702 1.00 0.00 H new ATOM 928 N VAL A 61 -4.784 -4.455 9.566 1.00 0.00 N ATOM 929 CA VAL A 61 -5.105 -3.353 8.693 1.00 0.00 C ATOM 930 C VAL A 61 -6.403 -3.591 7.937 1.00 0.00 C ATOM 931 O VAL A 61 -6.610 -4.639 7.328 1.00 0.00 O ATOM 932 CB VAL A 61 -3.966 -3.110 7.710 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.685 -2.760 8.436 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.617 -4.386 6.976 1.00 0.00 C ATOM 0 H VAL A 61 -4.214 -5.176 9.123 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.240 -2.469 9.316 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.307 -2.313 7.049 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.890 -2.592 7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.836 -1.855 9.025 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.406 -3.580 9.097 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.802 -4.193 6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.308 -5.146 7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.489 -4.740 6.426 1.00 0.00 H new ATOM 944 N THR A 62 -7.281 -2.599 7.953 1.00 0.00 N ATOM 945 CA THR A 62 -8.532 -2.671 7.227 1.00 0.00 C ATOM 946 C THR A 62 -8.298 -2.359 5.755 1.00 0.00 C ATOM 947 O THR A 62 -7.946 -1.227 5.430 1.00 0.00 O ATOM 948 CB THR A 62 -9.512 -1.639 7.782 1.00 0.00 C ATOM 949 OG1 THR A 62 -9.192 -1.291 9.112 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.941 -2.171 7.715 1.00 0.00 C ATOM 0 H THR A 62 -7.144 -1.729 8.467 1.00 0.00 H new ATOM 0 HA THR A 62 -8.938 -3.676 7.337 1.00 0.00 H new ATOM 0 HB THR A 62 -9.434 -0.743 7.166 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.510 -0.383 9.298 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.627 -1.424 8.114 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.201 -2.385 6.678 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.017 -3.085 8.304 1.00 0.00 H new ATOM 958 N LEU A 63 -8.483 -3.339 4.875 1.00 0.00 N ATOM 959 CA LEU A 63 -8.403 -3.142 3.446 1.00 0.00 C ATOM 960 C LEU A 63 -9.661 -2.397 3.023 1.00 0.00 C ATOM 961 O LEU A 63 -10.773 -2.906 3.153 1.00 0.00 O ATOM 962 CB LEU A 63 -8.299 -4.498 2.755 1.00 0.00 C ATOM 963 CG LEU A 63 -6.842 -4.878 2.486 1.00 0.00 C ATOM 964 CD1 LEU A 63 -6.211 -3.855 1.544 1.00 0.00 C ATOM 965 CD2 LEU A 63 -6.046 -4.925 3.788 1.00 0.00 C ATOM 0 H LEU A 63 -8.695 -4.300 5.145 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.523 -2.563 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.767 -5.261 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.849 -4.472 1.814 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.822 -5.867 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.173 -4.127 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.761 -3.840 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.248 -2.867 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.013 -5.197 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.071 -3.946 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.485 -5.666 4.456 1.00 0.00 H new ATOM 977 N ILE A 64 -9.461 -1.167 2.570 1.00 0.00 N ATOM 978 CA ILE A 64 -10.486 -0.251 2.121 1.00 0.00 C ATOM 979 C ILE A 64 -10.527 -0.214 0.601 1.00 0.00 C ATOM 980 O ILE A 64 -9.507 -0.391 -0.056 1.00 0.00 O ATOM 981 CB ILE A 64 -10.138 1.164 2.602 1.00 0.00 C ATOM 982 CG1 ILE A 64 -9.905 1.230 4.107 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.257 2.140 2.244 1.00 0.00 C ATOM 984 CD1 ILE A 64 -9.627 2.675 4.511 1.00 0.00 C ATOM 0 H ILE A 64 -8.526 -0.765 2.505 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.446 -0.582 2.518 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.212 1.439 2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.779 0.853 4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.064 0.594 4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.994 3.139 2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.393 2.157 1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.184 1.822 2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.460 2.726 5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.741 3.035 3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.482 3.298 4.247 1.00 0.00 H new ATOM 996 N ALA A 65 -11.695 0.058 0.036 1.00 0.00 N ATOM 997 CA ALA A 65 -11.830 0.361 -1.366 1.00 0.00 C ATOM 998 C ALA A 65 -13.037 1.255 -1.463 1.00 0.00 C ATOM 999 O ALA A 65 -14.142 0.897 -1.067 1.00 0.00 O ATOM 1000 CB ALA A 65 -11.979 -0.860 -2.261 1.00 0.00 C ATOM 0 H ALA A 65 -12.577 0.073 0.549 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.918 0.835 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.075 -0.541 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.101 -1.497 -2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.869 -1.418 -1.970 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.803 2.457 -1.946 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.858 3.416 -2.067 1.00 0.00 C ATOM 1008 C GLN A 66 -13.914 3.836 -3.522 1.00 0.00 C ATOM 1009 O GLN A 66 -13.491 4.932 -3.891 1.00 0.00 O ATOM 1010 CB GLN A 66 -13.495 4.531 -1.112 1.00 0.00 C ATOM 1011 CG GLN A 66 -14.521 5.634 -1.205 1.00 0.00 C ATOM 1012 CD GLN A 66 -13.795 6.960 -1.206 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -13.736 7.639 -0.186 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -13.192 7.293 -2.340 1.00 0.00 N ATOM 0 H GLN A 66 -11.889 2.784 -2.259 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.852 3.052 -1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -13.449 4.149 -0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.505 4.920 -1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -15.114 5.525 -2.113 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -15.213 5.581 -0.364 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.275 6.690 -3.158 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.645 8.152 -2.394 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.340 2.893 -4.352 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.399 3.038 -5.788 1.00 0.00 C ATOM 1025 C GLY A 67 -15.576 2.275 -6.371 1.00 0.00 C ATOM 1026 O GLY A 67 -16.494 1.868 -5.660 1.00 0.00 O ATOM 0 H GLY A 67 -14.662 1.981 -4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.483 4.094 -6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.472 2.675 -6.231 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.499 2.048 -7.679 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.433 1.261 -8.451 1.00 0.00 C ATOM 1032 C GLU A 68 -16.608 -0.111 -7.817 1.00 0.00 C ATOM 1033 O GLU A 68 -17.727 -0.593 -7.672 1.00 0.00 O ATOM 1034 CB GLU A 68 -15.855 1.092 -9.852 1.00 0.00 C ATOM 1035 CG GLU A 68 -15.744 2.440 -10.562 1.00 0.00 C ATOM 1036 CD GLU A 68 -15.194 2.280 -11.972 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -14.703 1.169 -12.270 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -15.264 3.278 -12.719 1.00 0.00 O ATOM 0 H GLU A 68 -14.744 2.430 -8.249 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.402 1.759 -8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.871 0.627 -9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.489 0.422 -10.433 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -16.725 2.913 -10.604 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.095 3.102 -9.989 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.502 -0.752 -7.432 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.606 -2.021 -6.752 1.00 0.00 C ATOM 1047 C ASP A 69 -15.172 -1.676 -5.355 1.00 0.00 C ATOM 1048 O ASP A 69 -14.123 -2.140 -4.945 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.705 -3.101 -7.362 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.414 -2.926 -8.849 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -13.511 -2.117 -9.162 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -15.099 -3.599 -9.645 1.00 0.00 O ATOM 0 H ASP A 69 -14.551 -0.414 -7.580 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.607 -2.448 -6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.759 -3.114 -6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.173 -4.074 -7.210 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.873 -0.770 -4.672 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.491 -0.323 -3.350 1.00 0.00 C ATOM 1059 C GLU A 70 -15.470 -1.508 -2.397 1.00 0.00 C ATOM 1060 O GLU A 70 -14.441 -2.170 -2.269 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.430 0.797 -2.902 1.00 0.00 C ATOM 1062 CG GLU A 70 -17.899 0.526 -3.236 1.00 0.00 C ATOM 1063 CD GLU A 70 -18.792 0.829 -2.046 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.702 0.037 -1.082 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -19.548 1.822 -2.128 1.00 0.00 O ATOM 0 H GLU A 70 -16.722 -0.330 -5.028 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.483 0.092 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.329 0.937 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.123 1.730 -3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -18.201 1.137 -4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -18.022 -0.516 -3.532 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.612 -1.800 -1.768 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.779 -2.933 -0.879 1.00 0.00 C ATOM 1074 C GLN A 71 -16.088 -4.167 -1.446 1.00 0.00 C ATOM 1075 O GLN A 71 -15.361 -4.866 -0.750 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.274 -3.222 -0.720 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.707 -3.185 0.747 1.00 0.00 C ATOM 1078 CD GLN A 71 -17.780 -3.992 1.643 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -17.454 -3.547 2.739 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -17.301 -5.136 1.159 1.00 0.00 N ATOM 0 H GLN A 71 -17.458 -1.239 -1.870 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.332 -2.695 0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.848 -2.489 -1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.502 -4.201 -1.142 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -18.731 -2.151 1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -19.722 -3.573 0.834 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -17.601 -5.467 0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -16.634 -5.681 1.705 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.297 -4.420 -2.731 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.757 -5.590 -3.370 1.00 0.00 C ATOM 1091 C GLU A 72 -14.231 -5.629 -3.288 1.00 0.00 C ATOM 1092 O GLU A 72 -13.647 -6.649 -2.920 1.00 0.00 O ATOM 1093 CB GLU A 72 -16.245 -5.538 -4.820 1.00 0.00 C ATOM 1094 CG GLU A 72 -15.364 -6.322 -5.779 1.00 0.00 C ATOM 1095 CD GLU A 72 -16.043 -6.497 -7.128 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.661 -5.509 -7.579 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -15.924 -7.613 -7.678 1.00 0.00 O ATOM 0 H GLU A 72 -16.843 -3.818 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.093 -6.500 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.261 -5.929 -4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.288 -4.498 -5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.414 -5.804 -5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.137 -7.299 -5.353 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.590 -4.521 -3.652 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.152 -4.397 -3.650 1.00 0.00 C ATOM 1106 C ALA A 73 -11.608 -4.634 -2.254 1.00 0.00 C ATOM 1107 O ALA A 73 -10.733 -5.479 -2.055 1.00 0.00 O ATOM 1108 CB ALA A 73 -11.870 -2.978 -4.098 1.00 0.00 C ATOM 0 H ALA A 73 -14.071 -3.676 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.677 -5.127 -4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.793 -2.811 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.282 -2.823 -5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.331 -2.278 -3.401 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.156 -3.879 -1.304 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.750 -3.936 0.085 1.00 0.00 C ATOM 1116 C LEU A 74 -11.926 -5.334 0.668 1.00 0.00 C ATOM 1117 O LEU A 74 -10.992 -5.859 1.269 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.499 -2.854 0.856 1.00 0.00 C ATOM 1119 CG LEU A 74 -13.999 -2.917 0.666 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.633 -3.443 1.943 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.498 -1.514 0.366 1.00 0.00 C ATOM 0 H LEU A 74 -12.901 -3.206 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.682 -3.734 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.269 -2.948 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.140 -1.875 0.538 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.262 -3.581 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.715 -3.493 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.246 -4.439 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.394 -2.775 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.579 -1.535 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.253 -0.855 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.021 -1.144 -0.542 1.00 0.00 H new ATOM 1133 N GLU A 75 -13.093 -5.954 0.470 1.00 0.00 N ATOM 1134 CA GLU A 75 -13.357 -7.288 0.981 1.00 0.00 C ATOM 1135 C GLU A 75 -12.414 -8.315 0.365 1.00 0.00 C ATOM 1136 O GLU A 75 -11.783 -9.066 1.106 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.828 -7.673 0.793 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.255 -7.645 -0.675 1.00 0.00 C ATOM 1139 CD GLU A 75 -16.745 -7.903 -0.828 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -17.120 -9.093 -0.770 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -17.482 -6.904 -0.993 1.00 0.00 O ATOM 0 H GLU A 75 -13.871 -5.543 -0.046 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.162 -7.280 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.994 -8.671 1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.456 -6.989 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.006 -6.676 -1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.696 -8.397 -1.232 1.00 0.00 H new ATOM 1148 N LYS A 76 -12.302 -8.354 -0.968 1.00 0.00 N ATOM 1149 CA LYS A 76 -11.433 -9.328 -1.609 1.00 0.00 C ATOM 1150 C LYS A 76 -10.003 -9.171 -1.102 1.00 0.00 C ATOM 1151 O LYS A 76 -9.368 -10.140 -0.686 1.00 0.00 O ATOM 1152 CB LYS A 76 -11.525 -9.209 -3.132 1.00 0.00 C ATOM 1153 CG LYS A 76 -10.739 -8.019 -3.679 1.00 0.00 C ATOM 1154 CD LYS A 76 -10.722 -8.082 -5.202 1.00 0.00 C ATOM 1155 CE LYS A 76 -9.681 -7.134 -5.795 1.00 0.00 C ATOM 1156 NZ LYS A 76 -9.662 -5.834 -5.104 1.00 0.00 N ATOM 0 H LYS A 76 -12.795 -7.731 -1.608 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.764 -10.333 -1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.151 -10.126 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.571 -9.112 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.193 -7.085 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.720 -8.033 -3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.509 -9.102 -5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.709 -7.826 -5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.694 -7.593 -5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.893 -6.979 -6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.756 -5.357 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.442 -5.243 -5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.775 -5.983 -4.081 1.00 0.00 H new ATOM 1170 N LEU A 77 -9.515 -7.929 -1.116 1.00 0.00 N ATOM 1171 CA LEU A 77 -8.197 -7.588 -0.653 1.00 0.00 C ATOM 1172 C LEU A 77 -7.985 -8.041 0.780 1.00 0.00 C ATOM 1173 O LEU A 77 -7.106 -8.863 1.007 1.00 0.00 O ATOM 1174 CB LEU A 77 -8.019 -6.091 -0.822 1.00 0.00 C ATOM 1175 CG LEU A 77 -7.109 -5.821 -2.015 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -5.721 -5.820 -1.420 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -7.112 -6.928 -3.068 1.00 0.00 C ATOM 0 H LEU A 77 -10.046 -7.128 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.439 -8.107 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.987 -5.613 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.589 -5.660 0.082 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.434 -4.906 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.989 -5.632 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.650 -5.039 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.521 -6.788 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.439 -6.658 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.777 -7.861 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.122 -7.056 -3.459 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.783 -7.552 1.734 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.633 -7.942 3.129 1.00 0.00 C ATOM 1191 C ALA A 78 -8.750 -9.453 3.306 1.00 0.00 C ATOM 1192 O ALA A 78 -8.068 -10.024 4.156 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.633 -7.212 4.017 1.00 0.00 C ATOM 0 H ALA A 78 -9.537 -6.887 1.561 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.630 -7.650 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.496 -7.524 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.473 -6.137 3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.647 -7.452 3.697 1.00 0.00 H new ATOM 1199 N ALA A 79 -9.597 -10.108 2.512 1.00 0.00 N ATOM 1200 CA ALA A 79 -9.716 -11.555 2.545 1.00 0.00 C ATOM 1201 C ALA A 79 -8.364 -12.173 2.208 1.00 0.00 C ATOM 1202 O ALA A 79 -7.854 -13.030 2.927 1.00 0.00 O ATOM 1203 CB ALA A 79 -10.739 -11.985 1.498 1.00 0.00 C ATOM 0 H ALA A 79 -10.211 -9.652 1.837 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.033 -11.884 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.839 -13.070 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.703 -11.529 1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.407 -11.663 0.511 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.784 -11.699 1.108 1.00 0.00 N ATOM 1210 CA TYR A 80 -6.524 -12.169 0.587 1.00 0.00 C ATOM 1211 C TYR A 80 -5.359 -11.888 1.539 1.00 0.00 C ATOM 1212 O TYR A 80 -4.763 -12.801 2.103 1.00 0.00 O ATOM 1213 CB TYR A 80 -6.356 -11.443 -0.743 1.00 0.00 C ATOM 1214 CG TYR A 80 -5.008 -11.617 -1.390 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.467 -12.903 -1.562 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -4.231 -10.479 -1.659 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -3.158 -13.048 -2.052 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -2.921 -10.625 -2.137 1.00 0.00 C ATOM 1219 CZ TYR A 80 -2.396 -11.909 -2.353 1.00 0.00 C ATOM 1220 OH TYR A 80 -1.141 -12.042 -2.848 1.00 0.00 O ATOM 0 H TYR A 80 -8.198 -10.956 0.546 1.00 0.00 H new ATOM 0 HA TYR A 80 -6.521 -13.252 0.465 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -7.123 -11.795 -1.433 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.533 -10.379 -0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.055 -13.776 -1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.642 -9.493 -1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.740 -14.033 -2.196 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.318 -9.752 -2.338 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.831 -12.962 -2.712 1.00 0.00 H new ATOM 1230 N VAL A 81 -5.051 -10.603 1.703 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.953 -10.000 2.454 1.00 0.00 C ATOM 1232 C VAL A 81 -3.600 -10.639 3.791 1.00 0.00 C ATOM 1233 O VAL A 81 -2.453 -10.542 4.229 1.00 0.00 O ATOM 1234 CB VAL A 81 -4.350 -8.557 2.735 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.556 -7.836 1.415 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.671 -8.571 3.497 1.00 0.00 C ATOM 0 H VAL A 81 -5.626 -9.883 1.266 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.067 -10.131 1.832 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.576 -8.054 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.841 -6.801 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.630 -7.857 0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.345 -8.331 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.978 -7.547 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.435 -9.060 2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.545 -9.115 4.433 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.575 -11.249 4.455 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.385 -11.801 5.777 1.00 0.00 C ATOM 1248 C GLN A 82 -4.633 -13.299 5.868 1.00 0.00 C ATOM 1249 O GLN A 82 -4.564 -13.861 6.958 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.433 -11.124 6.639 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.820 -11.697 6.376 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.772 -11.045 7.359 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -7.561 -11.102 8.567 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -8.744 -10.320 6.836 1.00 0.00 N ATOM 0 H GLN A 82 -5.518 -11.371 4.085 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.350 -11.637 6.078 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.178 -11.250 7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.436 -10.053 6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.130 -11.497 5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.819 -12.780 6.503 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.881 -10.304 5.825 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.358 -9.776 7.443 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.961 -13.943 4.752 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.519 -15.276 4.832 1.00 0.00 C ATOM 1265 C GLU A 83 -4.533 -16.404 5.150 1.00 0.00 C ATOM 1266 O GLU A 83 -4.863 -17.282 5.942 1.00 0.00 O ATOM 1267 CB GLU A 83 -6.385 -15.477 3.596 1.00 0.00 C ATOM 1268 CG GLU A 83 -5.549 -15.551 2.319 1.00 0.00 C ATOM 1269 CD GLU A 83 -6.426 -15.626 1.079 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -7.481 -16.292 1.164 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -6.026 -15.015 0.064 1.00 0.00 O ATOM 0 H GLU A 83 -4.852 -13.571 3.809 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.142 -15.347 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.964 -16.394 3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.098 -14.657 3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.902 -14.676 2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.899 -16.425 2.359 1.00 0.00 H new ATOM 1278 N GLU A 84 -3.336 -16.415 4.562 1.00 0.00 N ATOM 1279 CA GLU A 84 -2.390 -17.482 4.868 1.00 0.00 C ATOM 1280 C GLU A 84 -1.204 -16.927 5.664 1.00 0.00 C ATOM 1281 O GLU A 84 -1.370 -16.376 6.751 1.00 0.00 O ATOM 1282 CB GLU A 84 -1.981 -18.197 3.573 1.00 0.00 C ATOM 1283 CG GLU A 84 -1.558 -17.219 2.471 1.00 0.00 C ATOM 1284 CD GLU A 84 -2.726 -16.854 1.567 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -3.569 -17.746 1.331 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -2.760 -15.678 1.151 1.00 0.00 O ATOM 0 H GLU A 84 -3.008 -15.719 3.892 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.858 -18.232 5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.158 -18.880 3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.815 -18.802 3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.151 -16.315 2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.761 -17.664 1.875 1.00 0.00 H new ATOM 1293 N VAL A 85 -0.005 -17.032 5.097 1.00 0.00 N ATOM 1294 CA VAL A 85 1.220 -16.412 5.568 1.00 0.00 C ATOM 1295 C VAL A 85 1.937 -16.018 4.293 1.00 0.00 C ATOM 1296 O VAL A 85 1.903 -16.796 3.290 1.00 0.00 O ATOM 1297 CB VAL A 85 2.120 -17.368 6.447 1.00 0.00 C ATOM 1298 CG1 VAL A 85 3.598 -16.933 6.647 1.00 0.00 C ATOM 1299 CG2 VAL A 85 1.570 -17.613 7.873 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.568 -14.918 4.228 1.00 0.00 O ATOM 0 H VAL A 85 0.141 -17.583 4.251 1.00 0.00 H new ATOM 0 HA VAL A 85 1.004 -15.574 6.230 1.00 0.00 H new ATOM 0 HB VAL A 85 2.087 -18.269 5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.113 -17.668 7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.092 -16.866 5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.628 -15.960 7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.243 -18.279 8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.496 -16.663 8.403 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.583 -18.070 7.809 1.00 0.00 H new